| 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 | 60.9 | Low | 87.7 | Confident | 148 Ų | 148 | 36.2 Ų | 36.2 | 73% | 0.729 | 17% | 0.167 | S | C | * | . | 0 | 149 | 0 | -151.6 | -178.6 | -88 | 0 | 0 | 106.6 | |||||
| 2 | Y | 79.3 | Confident | 87.8 | Confident | 69 Ų | 69 | 36.6 Ų | 36.6 | 27% | 0.271 | 17% | 0.171 | S | C | . | . | trans | -91.4 | 121.9 | 170.7 | -70.1 | -76.8 | 0 | 0 | 0 | 108 | L57 P61 Y125 E126 F127 P128 | Y2-L57 WeakPolarHBondContact O-CB 3.38Å; Y2-L57 PolarHBondContact O-N 2.89Å; Y2-P61 HydrophobicContact CE1-CB 4.19Å; Y2-Y125 HydrophobicContact CD1-CE2 4.08Å; Y2-Y125 AromaticContact CD1-CZ 3.67Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.47Å; Y2-Y125 WeakPolarHBondContact CE1-OH 3.25Å; Y2-E126 WeakPolarHBondContact CA-O 3.48Å; Y2-F127 HydrophobicContact CD1-CB 4.29Å; Y2-F127 HydrophobicContact CE1-CB 4.06Å; Y2-P128 VanDerWaalsContact CD1-CD 3.41Å; Y2-P128 HydrophobicContact CD1-CG 4.27Å; Y2-P128 HydrophobicContact CD2-CG 4.01Å; Y2-P128 HydrophobicContact CE1-CG 4.12Å; Y2-P128 HydrophobicContact CE2-CG 3.85Å; Y2-P128 HydrophobicContact CG-CG 4.22Å | ||
| 3 | A | 85.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 5% | 0.05 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I54 I55 Y125 E126 | A3-I54 HydrophobicContact CB-CG2 4.1Å; A3-I55 WeakPolarHBondContact CA-O 3.48Å; A3-Y125 WeakPolarHBondContact O-CD2 3.49Å; A3-E126 HydrophobicContact CB-CB 4.28Å; A3-E126 PolarHBondContact N-O 2.73Å; A3-E126 VanDerWaalsContact N-O 3.07Å; A3-E126 PolarHBondContact O-N 2.99Å |
| 4 | L | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.2 | 170 | 176.8 | 66.6 | 0 | 0 | 0 | 108.5 | V6 F31 I55 L57 L62 L91 | L4-V6 HydrophobicContact CD2-CG2 4.14Å; L4-V6 HydrophobicContact CG-CG2 3.99Å; L4-F31 HydrophobicContact CD2-CD2 4.38Å; L4-I55 HydrophobicContact CB-CB 4.37Å; L4-I55 HydrophobicContact CD2-CD1 4.35Å; L4-I55 PolarHBondContact N-O 2.91Å; L4-I55 PolarHBondContact O-N 2.82Å; L4-L57 HydrophobicContact CB-CD2 4.29Å; L4-L62 HydrophobicContact CD1-CD1 4.19Å; L4-L91 HydrophobicContact CD1-CD2 4.43Å; L4-L91 HydrophobicContact CD2-CD1 3.77Å; L4-L91 HydrophobicContact CD2-CD2 4.19Å |
| 5 | H | 90.7 | Very high | 87.2 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.6 | 174.4 | -64.9 | -113.7 | 0 | 0 | 0 | 108.7 | E52 L123 R124 E126 | H5-E52 IonicContact CE1-OE1 3.23Å; H5-E52 IonicContact CG-OE1 2.71Å; H5-E52 IonicContact ND1-OE1 2.83Å; H5-E52 PolarHBondContact ND1-OE1 2.79Å; H5-L123 CarbonylContact O-C 3.58Å; H5-L123 VanDerWaalsContact O-CA 3.31Å; H5-L123 WeakPolarHBondContact O-CA 3.38Å; H5-R124 HydrophobicContact CB-CB 4.1Å; H5-R124 WeakPolarHBondContact CB-O 3.19Å; H5-R124 PolarHBondContact N-O 2.87Å; H5-R124 PolarHBondContact O-N 3.16Å; H5-E126 IonicContact NE2-OE2 2.83Å; H5-E126 PolarHBondContact NE2-OE2 3.43Å |
| 6 | V | 93.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 100.3 | 178.1 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | L4 V8 V29 I53 I55 I70 L123 | L4-V6 HydrophobicContact CD2-CG2 4.14Å; L4-V6 HydrophobicContact CG-CG2 3.99Å; V6-V8 HydrophobicContact CG1-CG2 4.24Å; V6-V29 HydrophobicContact CB-CG1 4.33Å; V6-V29 HydrophobicContact CG1-CG1 4.1Å; V6-V29 HydrophobicContact CG1-CG2 4.13Å; V6-V29 HydrophobicContact CG2-CG1 4.11Å; V6-I53 HydrophobicContact CB-CB 4.43Å; V6-I53 PolarHBondContact N-O 2.96Å; V6-I53 PolarHBondContact O-N 2.99Å; V6-I55 HydrophobicContact CG2-CD1 3.96Å; V6-I70 HydrophobicContact CG1-CD1 4.41Å; V6-L123 HydrophobicContact CB-CD2 4.01Å; V6-L123 HydrophobicContact CG1-CD2 3.77Å; V6-L123 HydrophobicContact CG2-CD2 3.7Å |
| 7 | N | 93.2 | Very high | 86.5 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 106.7 | 174 | -177.9 | -24 | 0 | 0 | 0 | 109.8 | K9 D50 E51 E52 L121 S122 | N7-K9 PolarHBondContact O-N 3.42Å; N7-D50 PolarHBondContact OD1-OD1 3.32Å; N7-E51 WeakPolarHBondContact CA-O 3.47Å; N7-E52 HydrophobicContact CB-CB 4.46Å; N7-L121 CarbonylContact O-C 3.5Å; N7-L121 WeakPolarHBondContact O-CA 3.4Å; N7-L121 WeakPolarHBondContact O-CB 3.27Å; N7-S122 PolarHBondContact N-O 3.17Å; N7-S122 PolarHBondContact O-N 3.02Å |
| 8 | V | 94.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 107.5 | 177 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | V6 V27 V29 T38 W49 D50 E51 I53 I119 | V6-V8 HydrophobicContact CG1-CG2 4.24Å; V8-V27 HydrophobicContact CG1-CB 4.02Å; V8-V27 HydrophobicContact CG1-CG1 4.11Å; V8-V27 HydrophobicContact CG1-CG2 3.78Å; V8-V27 HydrophobicContact CG2-CG1 4.32Å; V8-V29 HydrophobicContact CG2-CG2 3.95Å; V8-T38 HydrophobicContact CB-CG2 3.99Å; V8-T38 HydrophobicContact CG1-CG2 4.21Å; V8-T38 HydrophobicContact CG2-CG2 4.15Å; V8-W49 HydrophobicContact CG1-CD2 4.39Å; V8-W49 HydrophobicContact CG1-CE3 3.81Å; V8-W49 HydrophobicContact CG1-CZ3 4.36Å; V8-D50 VanDerWaalsContact O-CA 3.28Å; V8-D50 WeakPolarHBondContact O-CA 3.15Å; V8-D50 PolarHBondContact O-N 3.23Å; V8-E51 PolarHBondContact N-O 3.37Å; V8-E51 PolarHBondContact O-N 2.84Å; V8-E51 VanDerWaalsContact O-N 3.07Å; V8-I53 HydrophobicContact CG2-CD1 4.48Å; V8-I119 HydrophobicContact CG1-CD1 4.32Å |
| 9 | K | 91.2 | Very high | 84.9 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 30% | 0.3 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -66 | -172.7 | -64.9 | -173.1 | 176.1 | -178.3 | 0 | 112.1 | N7 V48 W49 D50 E120 S122 | N7-K9 PolarHBondContact O-N 3.42Å; K9-V48 CarbonylContact O-C 3.5Å; K9-W49 PolarHBondContact O-N 2.93Å; K9-D50 PolarHBondContact O-N 2.85Å; K9-E120 WeakPolarHBondContact CA-O 3.42Å; K9-E120 HydrophobicContact CB-CB 4.44Å; K9-E120 WeakPolarHBondContact CB-O 3.24Å; K9-E120 PolarHBondContact N-O 3.4Å; K9-S122 WeakPolarHBondContact CE-OG 3.46Å |
| 10 | K | 93.4 | Very high | 83.9 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 162.9 | -176.1 | 62.2 | 174.1 | 179.6 | 166.8 | 0 | 112.7 | P47 V48 E120 | K10-P47 CarbonylContact C-O 3.48Å; K10-P47 WeakPolarHBondContact CA-O 3.38Å; K10-P47 WeakPolarHBondContact CB-O 3.4Å; K10-V48 HydrophobicContact CB-CB 4.23Å; K10-V48 HydrophobicContact CB-CG1 4.32Å; K10-V48 HydrophobicContact CB-CG2 3.88Å; K10-V48 HydrophobicContact CD-CG2 4.44Å; K10-E120 WeakPolarHBondContact CE-OE1 3.28Å; K10-E120 WeakPolarHBondContact CE-OE2 3.45Å; K10-E120 HydrophobicContact CG-CB 4.06Å; K10-E120 PolarHBondContact N-O 2.71Å; K10-E120 IonicContact NZ-OE1 2.79Å; K10-E120 PolarHBondContact NZ-OE1 3Å; K10-E120 IonicContact NZ-OE2 3.59Å; K10-E120 PolarHBondContact O-N 2.86Å |
| 11 | A | 93.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.2 | 164 | 0 | 0 | 0 | 0 | 0 | 110.1 | L14 N46 P47 W49 T118 I119 | A11-L14 HydrophobicContact CB-CD1 3.98Å; A11-L14 HydrophobicContact CB-CD2 4Å; A11-L14 HydrophobicContact CB-CG 3.97Å; A11-N46 CarbonylContact O-C 3.6Å; A11-N46 WeakPolarHBondContact O-CA 3.35Å; A11-P47 HydrophobicContact CB-CG 4.07Å; A11-P47 PolarHBondContact N-O 2.68Å; A11-P47 WeakPolarHBondContact O-CD 3.49Å; A11-W49 HydrophobicContact CB-CH2 3.83Å; A11-W49 HydrophobicContact CB-CZ3 3.67Å; A11-T118 CarbonylContact C-O 3.58Å; A11-T118 WeakPolarHBondContact CA-O 3.46Å; A11-T118 WeakPolarHBondContact CB-O 3.31Å; A11-I119 HydrophobicContact CB-CB 4.49Å; A11-I119 HydrophobicContact CB-CG1 4.48Å |
| 12 | N | 88.7 | Confident | 84.5 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.4 | 176.2 | -50.5 | -57.8 | 0 | 0 | 0 | 109.8 | L14 N46 S117 T118 | N12-L14 VanDerWaalsContact C-N 3.32Å; N12-L14 PolarHBondContact O-N 3.06Å; N12-N46 WeakPolarHBondContact CA-OD1 2.97Å; N12-S117 VanDerWaalsContact O-CA 3.29Å; N12-S117 WeakPolarHBondContact O-CA 3.47Å; N12-T118 PolarHBondContact N-O 2.64Å; N12-T118 PolarHBondContact ND2-OG1 2.9Å; N12-T118 PolarHBondContact O-N 2.79Å |
| 13 | N | 88.3 | Confident | 84.9 | Confident | 101 Ų | 101 | 50.2 Ų | 50.2 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 54.7 | 40 | 175.8 | -69.5 | -20.4 | 0 | 0 | 0 | 114.3 | L45 N46 M116 S117 | N13-L45 PolarHBondContact N-O 3.01Å; N13-N46 PolarHBondContact N-OD1 2.7Å; N13-M116 WeakPolarHBondContact CB-O 3.32Å; N13-S117 WeakPolarHBondContact O-CB 3.35Å; N13-S117 PolarHBondContact O-OG 2.9Å |
| 14 | L | 88.3 | Confident | 85.1 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -62 | 141.9 | 172.4 | -66.5 | 177.5 | 0 | 0 | 0 | 110.6 | A11 N12 N16 P25 L45 P47 V72 M84 L107 S117 | A11-L14 HydrophobicContact CB-CD1 3.98Å; A11-L14 HydrophobicContact CB-CD2 4Å; A11-L14 HydrophobicContact CB-CG 3.97Å; N12-L14 VanDerWaalsContact C-N 3.32Å; N12-L14 PolarHBondContact O-N 3.06Å; L14-N16 PolarHBondContact O-N 2.82Å; L14-P25 HydrophobicContact CD1-CB 3.55Å; L14-P25 HydrophobicContact CD1-CG 3.73Å; L14-L45 HydrophobicContact CB-CB 4.48Å; L14-L45 WeakPolarHBondContact CB-O 3.08Å; L14-L45 PolarHBondContact N-O 2.83Å; L14-P47 HydrophobicContact CD1-CG 3.58Å; L14-V72 HydrophobicContact CD1-CG1 3.96Å; L14-V72 HydrophobicContact CD2-CB 4.46Å; L14-V72 HydrophobicContact CD2-CG1 3.85Å; L14-M84 HydrophobicContact CB-CE 3.8Å; L14-M84 HydrophobicContact CD1-CE 4.33Å; L14-L107 HydrophobicContact CD2-CD1 3.75Å; L14-S117 WeakPolarHBondContact CA-OG 3.17Å |
| 15 | K | 78.4 | Confident | 85.3 | Confident | 143 Ų | 143 | 51.8 Ų | 51.8 | 62% | 0.622 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 125.6 | 176.2 | -178.2 | -176.2 | 178.1 | -175.8 | 0 | 109.6 | I17 M84 | K15-I17 HydrophobicContact CB-CG2 4.4Å; K15-I17 HydrophobicContact CD-CG2 3.7Å; K15-I17 HydrophobicContact CG-CG2 3.8Å; K15-I17 PolarHBondContact O-N 2.8Å; K15-M84 WeakPolarHBondContact O-CE 3.44Å |
| 16 | N | 82.1 | Confident | 85.5 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 119.4 | 167 | -166.4 | 7.9 | 0 | 0 | 0 | 109.6 | L14 E18 G21 K22 S23 L45 | L14-N16 PolarHBondContact O-N 2.82Å; N16-E18 PolarHBondContact OD1-N 3.49Å; N16-G21 PolarHBondContact ND2-O 2.72Å; N16-K22 WeakPolarHBondContact OD1-CA 3.38Å; N16-S23 PolarHBondContact OD1-N 3.02Å; N16-S23 VanDerWaalsContact OD1-N 3.11Å; N16-L45 HydrophobicContact CB-CD1 3.89Å; N16-L45 HydrophobicContact CB-CD2 3.94Å |
| 17 | I | 80.4 | Confident | 85.7 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | trans | -115.4 | 0.3 | 177.4 | 60.2 | -179.8 | 0 | 0 | 0 | 113.4 | K15 S23 D74 K82 M84 | K15-I17 HydrophobicContact CB-CG2 4.4Å; K15-I17 HydrophobicContact CD-CG2 3.7Å; K15-I17 HydrophobicContact CG-CG2 3.8Å; K15-I17 PolarHBondContact O-N 2.8Å; I17-S23 WeakPolarHBondContact CG1-OG 3.16Å; I17-S23 PolarHBondContact N-OG 3.3Å; I17-D74 HydrophobicContact CD1-CB 3.69Å; I17-D74 HydrophobicContact CG1-CB 4.01Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.38Å; I17-K82 HydrophobicContact CD1-CB 3.34Å; I17-K82 HydrophobicContact CD1-CD 4.03Å; I17-K82 HydrophobicContact CD1-CG 4.36Å; I17-K82 HydrophobicContact CG1-CB 4.4Å; I17-K82 HydrophobicContact CG1-CD 4.29Å; I17-M84 HydrophobicContact CD1-CG 3.85Å | ||
| 18 | E | 71.2 | Confident | 85.8 | Confident | 44 Ų | 44 | 51.8 Ų | 51.8 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | trans | -81.2 | 141.6 | 171.8 | -74.4 | -52 | 120.3 | 0 | 0 | 112.4 | N16 K82 | N16-E18 PolarHBondContact OD1-N 3.49Å; E18-K82 IonicContact OE1-NZ 2.74Å; E18-K82 PolarHBondContact OE1-NZ 2.88Å; E18-K82 IonicContact OE2-NZ 3.04Å | ||
| 19 | I | 70.3 | Confident | 85.8 | Confident | 175 Ų | 175 | 51.8 Ų | 51.8 | 90% | 0.897 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -76.4 | -30.2 | 178.9 | -60.9 | 173.2 | 0 | 0 | 0 | 110.5 | ||
| 20 | S | 66.3 | Low | 85.9 | Confident | 111 Ų | 111 | 49.6 Ų | 49.6 | 78% | 0.776 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -141.1 | 107.6 | 179.8 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 21 | G | 75.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 116.5 | -174.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N16 | N16-G21 PolarHBondContact ND2-O 2.72Š|
| 22 | K | 80.5 | Confident | 85.4 | Confident | 102 Ų | 102 | 53.1 Ų | 53.1 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | trans | -99.2 | 162.4 | 161.9 | -72.7 | 169.6 | 176.4 | 178.7 | 0 | 107.9 | N16 D43 L45 | N16-K22 WeakPolarHBondContact OD1-CA 3.38Å; K22-D43 HydrophobicContact CB-CB 4.22Å; K22-D43 WeakPolarHBondContact CD-O 3.26Å; K22-D43 PolarHBondContact N-OD1 3.19Å; K22-D43 VanDerWaalsContact O-OD1 3.13Å; K22-L45 HydrophobicContact CB-CD2 4.34Å; K22-L45 HydrophobicContact CB-CG 4.26Å; K22-L45 HydrophobicContact CD-CG 4.33Å; K22-L45 HydrophobicContact CG-CD1 4.33Å; K22-L45 HydrophobicContact CG-CG 4.19Å | ||
| 23 | S | 87.2 | Confident | 85 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -61 | 150.3 | 170.9 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | N16 I17 P25 D44 D74 M84 | N16-S23 PolarHBondContact OD1-N 3.02Å; N16-S23 VanDerWaalsContact OD1-N 3.11Å; I17-S23 WeakPolarHBondContact CG1-OG 3.16Å; I17-S23 PolarHBondContact N-OG 3.3Å; S23-P25 WeakPolarHBondContact O-CD 3.26Å; S23-D44 PolarHBondContact O-N 2.73Å; S23-D44 VanDerWaalsContact O-N 3.07Å; S23-D74 WeakPolarHBondContact CA-OD1 3Å; S23-D74 VanDerWaalsContact CB-CG 3.42Å; S23-D74 WeakPolarHBondContact CB-OD1 3.34Å; S23-D74 WeakPolarHBondContact CB-OD2 3.46Å; S23-D74 PolarHBondContact OG-OD2 2.82Å; S23-M84 VanDerWaalsContact CB-CE 3.43Å | ||
| 24 | D | 90.6 | Very high | 84.8 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | trans | -103.6 | 71.6 | 177.1 | -63.7 | -30.1 | 0 | 0 | 0 | 110.3 | V40 K41 D42 D43 D74 F75 | D24-V40 HydrophobicContact CB-CG1 3.9Å; D24-V40 WeakPolarHBondContact O-CG1 3.38Å; D24-K41 CarbonylContact C-O 3.55Å; D24-K41 VanDerWaalsContact CA-O 3.23Å; D24-K41 WeakPolarHBondContact CA-O 3.16Å; D24-D42 WeakPolarHBondContact OD1-CA 3.48Å; D24-D43 PolarHBondContact OD1-N 2.83Å; D24-D74 WeakPolarHBondContact CA-OD1 3.19Å; D24-D74 PolarHBondContact N-OD1 2.85Å; D24-F75 HydrophobicContact CB-CB 4.26Å; D24-F75 WeakPolarHBondContact O-CB 3.37Å; D24-F75 PolarHBondContact O-N 2.85Å | ||
| 25 | P | 93.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.9 | -167.4 | 31 | -41.1 | 0 | 0 | 0 | 115.4 | L14 S23 K41 D44 P47 W49 V72 M73 M84 | L14-P25 HydrophobicContact CD1-CB 3.55Å; L14-P25 HydrophobicContact CD1-CG 3.73Å; S23-P25 WeakPolarHBondContact O-CD 3.26Å; P25-K41 WeakPolarHBondContact CD-O 3.3Å; P25-K41 PolarHBondContact O-N 2.81Å; P25-D44 WeakPolarHBondContact CD-O 3.08Å; P25-D44 WeakPolarHBondContact CG-O 3.18Å; P25-P47 HydrophobicContact CB-CG 4.21Å; P25-P47 HydrophobicContact CG-CB 3.79Å; P25-P47 HydrophobicContact CG-CG 3.52Å; P25-W49 HydrophobicContact CB-CZ2 4.01Å; P25-W49 HydrophobicContact CG-CZ2 4.28Å; P25-W49 PolarHBondContact O-NE1 3.48Å; P25-V72 HydrophobicContact CB-CG1 4.23Å; P25-M73 CarbonylContact C-O 3.33Å; P25-M73 WeakPolarHBondContact CA-O 3.47Å; P25-M84 HydrophobicContact CB-SD 3.95Å |
| 26 | Y | 95.9 | Very high | 85.4 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 163.8 | 164.3 | 72.6 | -84.5 | 0 | 0 | 0 | 111.3 | V28 K37 V40 V72 M73 F75 D81 | Y26-V28 HydrophobicContact CD2-CG2 4.12Å; Y26-V28 HydrophobicContact CE2-CG2 3.53Å; Y26-K37 HydrophobicContact CD2-CB 3.99Å; Y26-K37 HydrophobicContact CD2-CD 4.31Å; Y26-K37 HydrophobicContact CE2-CB 4.13Å; Y26-K37 HydrophobicContact CE2-CD 4.04Å; Y26-V40 HydrophobicContact CD1-CG2 3.99Å; Y26-V40 HydrophobicContact CG-CG2 4.2Å; Y26-V72 WeakPolarHBondContact O-CA 3.49Å; Y26-M73 HydrophobicContact CD1-CB 3.97Å; Y26-M73 HydrophobicContact CD2-CB 4.46Å; Y26-M73 HydrophobicContact CE1-CB 3.47Å; Y26-M73 VanDerWaalsContact CE1-CB 3.47Å; Y26-M73 HydrophobicContact CE1-CG 4.46Å; Y26-M73 HydrophobicContact CE2-CB 4Å; Y26-M73 HydrophobicContact CE2-CG 4.22Å; Y26-M73 HydrophobicContact CG-CB 4.46Å; Y26-M73 VanDerWaalsContact CZ-CB 3.49Å; Y26-M73 PolarHBondContact N-O 3.06Å; Y26-M73 PolarHBondContact O-N 2.77Å; Y26-F75 HydrophobicContact CD1-CB 3.95Å; Y26-F75 HydrophobicContact CE1-CB 4.06Å; Y26-D81 HydrophobicContact CE1-CB 4.29Å; Y26-D81 VanDerWaalsContact CE1-OD2 3.31Å; Y26-D81 WeakPolarHBondContact CE1-OD2 3.3Å; Y26-D81 VanDerWaalsContact CZ-OD2 3.29Å; Y26-D81 PolarHBondContact OH-OD2 3.22Å |
| 27 | V | 96.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.5 | -176.7 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | V8 V29 K37 T38 W49 I70 K71 V72 I119 | V8-V27 HydrophobicContact CG1-CB 4.02Å; V8-V27 HydrophobicContact CG1-CG1 4.11Å; V8-V27 HydrophobicContact CG1-CG2 3.78Å; V8-V27 HydrophobicContact CG2-CG1 4.32Å; V27-V29 HydrophobicContact CG1-CG2 4.5Å; V27-K37 CarbonylContact O-C 3.55Å; V27-K37 WeakPolarHBondContact O-CA 3.42Å; V27-T38 HydrophobicContact CB-CG2 4.02Å; V27-T38 PolarHBondContact N-OG1 2.75Å; V27-T38 PolarHBondContact O-N 3.1Å; V27-W49 HydrophobicContact CG2-CD2 4.06Å; V27-W49 HydrophobicContact CG2-CE3 3.85Å; V27-W49 HydrophobicContact CG2-CH2 3.33Å; V27-W49 HydrophobicContact CG2-CZ2 3.59Å; V27-W49 HydrophobicContact CG2-CZ3 3.48Å; V27-W49 VanDerWaalsContact CG2-CZ3 3.48Å; V27-I70 HydrophobicContact CG1-CG2 3.45Å; V27-I70 VanDerWaalsContact CG1-CG2 3.45Å; V27-K71 CarbonylContact C-O 3.45Å; V27-K71 WeakPolarHBondContact CA-O 3.27Å; V27-V72 HydrophobicContact CG2-CG2 4.22Å; V27-I119 HydrophobicContact CG1-CD1 4.01Å; V27-I119 HydrophobicContact CG2-CD1 3.77Å |
| 28 | V | 95.9 | Very high | 86.6 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.9 | 169.6 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | Y26 K35 Q36 K37 I70 K71 M73 | Y26-V28 HydrophobicContact CD2-CG2 4.12Å; Y26-V28 HydrophobicContact CE2-CG2 3.53Å; V28-K35 HydrophobicContact CG1-CB 4.42Å; V28-Q36 CarbonylContact C-O 3.51Å; V28-Q36 WeakPolarHBondContact CA-O 3.28Å; V28-K37 HydrophobicContact CG2-CB 4.27Å; V28-I70 CarbonylContact O-C 3.5Å; V28-I70 WeakPolarHBondContact O-CA 3.48Å; V28-K71 HydrophobicContact CB-CB 4.33Å; V28-K71 PolarHBondContact N-O 3.38Å; V28-K71 PolarHBondContact O-N 3.46Å; V28-M73 HydrophobicContact CG2-CG 4.2Å |
| 29 | V | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.3 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | V6 V8 V27 K35 Q36 I53 I55 V68 I70 | V6-V29 HydrophobicContact CB-CG1 4.33Å; V6-V29 HydrophobicContact CG1-CG1 4.1Å; V6-V29 HydrophobicContact CG1-CG2 4.13Å; V6-V29 HydrophobicContact CG2-CG1 4.11Å; V8-V29 HydrophobicContact CG2-CG2 3.95Å; V27-V29 HydrophobicContact CG1-CG2 4.5Å; V29-K35 VanDerWaalsContact O-CA 3.3Å; V29-K35 WeakPolarHBondContact O-CA 3.29Å; V29-Q36 PolarHBondContact N-O 3.49Å; V29-Q36 PolarHBondContact O-N 3.28Å; V29-I53 HydrophobicContact CB-CD1 4.22Å; V29-I53 HydrophobicContact CB-CG2 4.49Å; V29-I53 HydrophobicContact CG2-CD1 3.57Å; V29-I55 HydrophobicContact CG1-CD1 3.91Å; V29-V68 HydrophobicContact CG1-CG2 3.62Å; V29-I70 HydrophobicContact CB-CD1 4.19Å; V29-I70 HydrophobicContact CG1-CD1 3.91Å; V29-I70 HydrophobicContact CG2-CD1 3.79Å |
| 30 | D | 93.3 | Very high | 88.6 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113.7 | -179.5 | -172.4 | -3 | 0 | 0 | 0 | 109.9 | G33 Q34 K35 L69 | D30-G33 WeakPolarHBondContact OD1-CA 3.15Å; D30-G33 PolarHBondContact OD1-N 3.24Å; D30-Q34 WeakPolarHBondContact CA-O 3.26Å; D30-K35 HydrophobicContact CB-CG 3.94Å; D30-K35 WeakPolarHBondContact OD2-CE 3.44Å; D30-K35 IonicContact OD2-NZ 3.62Å; D30-L69 HydrophobicContact CB-CB 4.29Å; D30-L69 PolarHBondContact N-O 2.86Å; D30-L69 PolarHBondContact O-N 3.43Å |
| 31 | F | 91.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.5 | 174.5 | 179.3 | -99 | 0 | 0 | 0 | 109.7 | L4 G33 Q34 I55 L57 L62 D66 N67 V68 L91 | L4-F31 HydrophobicContact CD2-CD2 4.38Å; F31-G33 PolarHBondContact O-N 2.85Å; F31-Q34 PolarHBondContact N-O 2.83Å; F31-Q34 VanDerWaalsContact N-O 3.08Å; F31-Q34 WeakPolarHBondContact O-CB 3.47Å; F31-Q34 PolarHBondContact O-N 3.47Å; F31-I55 HydrophobicContact CB-CD1 3.88Å; F31-I55 HydrophobicContact CB-CG2 4.39Å; F31-I55 HydrophobicContact CD1-CG2 4.06Å; F31-L57 HydrophobicContact CD1-CD2 3.93Å; F31-L57 HydrophobicContact CE1-CD2 3.48Å; F31-L57 VanDerWaalsContact CE1-CD2 3.48Å; F31-L57 HydrophobicContact CZ-CD2 4.24Å; F31-L62 HydrophobicContact CE1-CD2 4.4Å; F31-L62 HydrophobicContact CE2-CD2 3.84Å; F31-L62 HydrophobicContact CZ-CD2 3.5Å; F31-L62 VanDerWaalsContact CZ-CD2 3.5Å; F31-D66 HydrophobicContact CE2-CB 4.1Å; F31-D66 HydrophobicContact CZ-CB 4.43Å; F31-N67 WeakPolarHBondContact CD2-O 3.36Å; F31-V68 HydrophobicContact CB-CG2 4.23Å; F31-V68 HydrophobicContact CD2-CB 4.36Å; F31-L91 HydrophobicContact CD2-CD1 3.89Å; F31-L91 HydrophobicContact CE2-CD1 3.47Å; F31-L91 VanDerWaalsContact CE2-CD1 3.47Å; F31-L91 HydrophobicContact CZ-CD1 4.39Å |
| 32 | Q | 83.8 | Confident | 90 | Very high | 132 Ų | 132 | 57.9 Ų | 57.9 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 38.2 | -179.9 | -61.6 | -176.2 | -8 | 0 | 0 | 113.3 | D66 | Q32-D66 PolarHBondContact NE2-OD1 2.9Š|
| 33 | G | 81 | Confident | 90.1 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -8.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D30 F31 K35 | D30-G33 WeakPolarHBondContact OD1-CA 3.15Å; D30-G33 PolarHBondContact OD1-N 3.24Å; F31-G33 PolarHBondContact O-N 2.85Å; G33-K35 PolarHBondContact O-N 3.11Å |
| 34 | Q | 83.9 | Confident | 90.2 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 108.3 | 170.2 | -63.3 | -166.8 | 33.9 | 0 | 0 | 109.9 | D30 F31 I55 D56 | D30-Q34 WeakPolarHBondContact CA-O 3.26Å; F31-Q34 PolarHBondContact N-O 2.83Å; F31-Q34 VanDerWaalsContact N-O 3.08Å; F31-Q34 WeakPolarHBondContact O-CB 3.47Å; F31-Q34 PolarHBondContact O-N 3.47Å; Q34-I55 HydrophobicContact CB-CG2 4.39Å; Q34-D56 PolarHBondContact NE2-O 3.37Å; Q34-D56 PolarHBondContact OE1-O 2.78Å |
| 35 | K | 90.3 | Very high | 90 | Very high | 139 Ų | 139 | 59.6 Ų | 59.6 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.5 | -177.6 | -67.4 | 172.9 | 179.8 | 169.1 | 0 | 111.5 | V28 V29 D30 G33 | V28-K35 HydrophobicContact CG1-CB 4.42Å; V29-K35 VanDerWaalsContact O-CA 3.3Å; V29-K35 WeakPolarHBondContact O-CA 3.29Å; D30-K35 HydrophobicContact CB-CG 3.94Å; D30-K35 WeakPolarHBondContact OD2-CE 3.44Å; D30-K35 IonicContact OD2-NZ 3.62Å; G33-K35 PolarHBondContact O-N 3.11Å |
| 36 | Q | 89.7 | Confident | 89.8 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 155.4 | 168.2 | -70.7 | -171.3 | 41.2 | 0 | 0 | 109.9 | V28 V29 I53 I54 | V28-Q36 CarbonylContact C-O 3.51Å; V28-Q36 WeakPolarHBondContact CA-O 3.28Å; V29-Q36 PolarHBondContact N-O 3.49Å; V29-Q36 PolarHBondContact O-N 3.28Å; Q36-I53 HydrophobicContact CB-CD1 4.3Å; Q36-I53 HydrophobicContact CB-CG2 3.75Å; Q36-I53 HydrophobicContact CG-CG2 4.27Å; Q36-I54 PolarHBondContact NE2-O 3.25Å |
| 37 | K | 92.2 | Very high | 89.7 | Confident | 136 Ų | 136 | 62 Ų | 62 | 59% | 0.591 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.8 | -178.3 | 66.6 | 177.6 | -177.3 | 175 | 0 | 112.2 | Y26 V27 V28 | Y26-K37 HydrophobicContact CD2-CB 3.99Å; Y26-K37 HydrophobicContact CD2-CD 4.31Å; Y26-K37 HydrophobicContact CE2-CB 4.13Å; Y26-K37 HydrophobicContact CE2-CD 4.04Å; V27-K37 CarbonylContact O-C 3.55Å; V27-K37 WeakPolarHBondContact O-CA 3.42Å; V28-K37 HydrophobicContact CG2-CB 4.27Å |
| 38 | T | 94.7 | Very high | 89.4 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -76 | 170.6 | 172.2 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | V8 V27 W49 E51 I53 | V8-T38 HydrophobicContact CB-CG2 3.99Å; V8-T38 HydrophobicContact CG1-CG2 4.21Å; V8-T38 HydrophobicContact CG2-CG2 4.15Å; V27-T38 HydrophobicContact CB-CG2 4.02Å; V27-T38 PolarHBondContact N-OG1 2.75Å; V27-T38 PolarHBondContact O-N 3.1Å; T38-W49 HydrophobicContact CG2-CG 4.4Å; T38-W49 PolarHBondContact OG1-NE1 2.93Å; T38-E51 WeakPolarHBondContact CA-OE2 3.38Å; T38-E51 WeakPolarHBondContact CB-OE2 3.04Å; T38-E51 HydrophobicContact CG2-CB 4.26Å; T38-I53 HydrophobicContact CG2-CD1 4.04Å |
| 39 | K | 90.4 | Very high | 89.3 | Confident | 142 Ų | 142 | 65.2 Ų | 65.2 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 144.7 | 166 | -70.3 | -175.7 | -164 | 99.1 | 0 | 111.2 | W49 E51 | K39-W49 PolarHBondContact O-NE1 2.92Å; K39-E51 VanDerWaalsContact CD-OE1 3.26Å; K39-E51 WeakPolarHBondContact CD-OE1 3.12Å; K39-E51 WeakPolarHBondContact CE-OE1 3.22Å; K39-E51 WeakPolarHBondContact CG-OE1 3.5Å; K39-E51 PolarHBondContact N-OE2 3.39Å; K39-E51 IonicContact NZ-OE1 3.33Å; K39-E51 PolarHBondContact NZ-OE1 2.95Å |
| 40 | V | 92.8 | Very high | 89.1 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 28% | 0.279 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 140.3 | 171 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | D24 Y26 F75 | D24-V40 HydrophobicContact CB-CG1 3.9Å; D24-V40 WeakPolarHBondContact O-CG1 3.38Å; Y26-V40 HydrophobicContact CD1-CG2 3.99Å; Y26-V40 HydrophobicContact CG-CG2 4.2Å; V40-F75 HydrophobicContact CB-CB 4.32Å; V40-F75 HydrophobicContact CG1-CB 3.56Å; V40-F75 HydrophobicContact CG1-CD1 4.02Å; V40-F75 HydrophobicContact CG1-CG 4Å; V40-F75 HydrophobicContact CG2-CB 3.73Å; V40-F75 HydrophobicContact CG2-CD1 4.26Å; V40-F75 HydrophobicContact CG2-CD2 4.11Å; V40-F75 HydrophobicContact CG2-CG 3.76Å |
| 41 | K | 87.4 | Confident | 88.9 | Confident | 74 Ų | 74 | 71 Ų | 71 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | trans | -114.1 | 108.4 | 174.8 | -71.3 | -76.4 | 170.4 | 155.4 | 0 | 109 | D24 P25 P47 V48 | D24-K41 CarbonylContact C-O 3.55Å; D24-K41 VanDerWaalsContact CA-O 3.23Å; D24-K41 WeakPolarHBondContact CA-O 3.16Å; P25-K41 WeakPolarHBondContact CD-O 3.3Å; P25-K41 PolarHBondContact O-N 2.81Å; K41-P47 HydrophobicContact CB-CB 3.94Å; K41-P47 HydrophobicContact CG-CB 4.02Å; K41-V48 WeakPolarHBondContact CE-O 3.48Å; K41-V48 PolarHBondContact NZ-O 2.81Å | ||
| 42 | D | 84 | Confident | 88.9 | Confident | 120 Ų | 120 | 75.3 Ų | 75.3 | 64% | 0.642 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 135.3 | -175.6 | -56.1 | -13 | 0 | 0 | 0 | 111.7 | D24 D44 | D24-D42 WeakPolarHBondContact OD1-CA 3.48Å; D42-D44 PolarHBondContact O-N 2.71Å |
| 43 | D | 83.2 | Confident | 89.3 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 41.4 | 173.3 | -83.7 | -46.6 | 0 | 0 | 0 | 115.7 | K22 D24 | K22-D43 HydrophobicContact CB-CB 4.22Å; K22-D43 WeakPolarHBondContact CD-O 3.26Å; K22-D43 PolarHBondContact N-OD1 3.19Å; K22-D43 VanDerWaalsContact O-OD1 3.13Å; D24-D43 PolarHBondContact OD1-N 2.83Å |
| 44 | D | 88.3 | Confident | 89.7 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | trans | -133.2 | 117.5 | -175.4 | -163.1 | -5 | 0 | 0 | 0 | 114 | S23 P25 D42 N46 P47 | S23-D44 PolarHBondContact O-N 2.73Å; S23-D44 VanDerWaalsContact O-N 3.07Å; P25-D44 WeakPolarHBondContact CD-O 3.08Å; P25-D44 WeakPolarHBondContact CG-O 3.18Å; D42-D44 PolarHBondContact O-N 2.71Å; D44-N46 PolarHBondContact OD1-N 3.14Å; D44-P47 HydrophobicContact CB-CB 4.47Å; D44-P47 WeakPolarHBondContact OD2-CA 3.39Å | ||
| 45 | L | 87.2 | Confident | 89.9 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -90.5 | -5.2 | 176.5 | -57 | 177.8 | 0 | 0 | 0 | 113.3 | N13 L14 N16 K22 | N13-L45 PolarHBondContact N-O 3.01Å; L14-L45 HydrophobicContact CB-CB 4.48Å; L14-L45 WeakPolarHBondContact CB-O 3.08Å; L14-L45 PolarHBondContact N-O 2.83Å; N16-L45 HydrophobicContact CB-CD1 3.89Å; N16-L45 HydrophobicContact CB-CD2 3.94Å; K22-L45 HydrophobicContact CB-CD2 4.34Å; K22-L45 HydrophobicContact CB-CG 4.26Å; K22-L45 HydrophobicContact CD-CG 4.33Å; K22-L45 HydrophobicContact CG-CD1 4.33Å; K22-L45 HydrophobicContact CG-CG 4.19Å |
| 46 | N | 90.3 | Very high | 89.6 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -128.1 | 53.9 | 173.5 | -57 | -81.9 | 0 | 0 | 0 | 110.4 | A11 N12 N13 D44 | A11-N46 CarbonylContact O-C 3.6Å; A11-N46 WeakPolarHBondContact O-CA 3.35Å; N12-N46 WeakPolarHBondContact CA-OD1 2.97Å; N13-N46 PolarHBondContact N-OD1 2.7Å; D44-N46 PolarHBondContact OD1-N 3.14Å |
| 47 | P | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -64.6 | 138.8 | -170.1 | 31 | -40.1 | 0 | 0 | 0 | 111.7 | K10 A11 L14 P25 K41 D44 W49 | K10-P47 CarbonylContact C-O 3.48Å; K10-P47 WeakPolarHBondContact CA-O 3.38Å; K10-P47 WeakPolarHBondContact CB-O 3.4Å; A11-P47 HydrophobicContact CB-CG 4.07Å; A11-P47 PolarHBondContact N-O 2.68Å; A11-P47 WeakPolarHBondContact O-CD 3.49Å; L14-P47 HydrophobicContact CD1-CG 3.58Å; P25-P47 HydrophobicContact CB-CG 4.21Å; P25-P47 HydrophobicContact CG-CB 3.79Å; P25-P47 HydrophobicContact CG-CG 3.52Å; K41-P47 HydrophobicContact CB-CB 3.94Å; K41-P47 HydrophobicContact CG-CB 4.02Å; D44-P47 HydrophobicContact CB-CB 4.47Å; D44-P47 WeakPolarHBondContact OD2-CA 3.39Å; P47-W49 HydrophobicContact CB-CD2 4.4Å; P47-W49 HydrophobicContact CB-CH2 3.92Å; P47-W49 HydrophobicContact CB-CZ2 3.71Å; P47-W49 HydrophobicContact CB-CZ3 4.32Å; P47-W49 HydrophobicContact CG-CE3 4.39Å; P47-W49 HydrophobicContact CG-CH2 3.18Å; P47-W49 HydrophobicContact CG-CZ2 3.42Å; P47-W49 VanDerWaalsContact CG-CZ2 3.42Å; P47-W49 HydrophobicContact CG-CZ3 3.72Å | ||
| 48 | V | 91.3 | Very high | 88.7 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 47% | 0.473 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.5 | 168.7 | -175 | 0 | 0 | 0 | 0 | 108.3 | K9 K10 K41 | K9-V48 CarbonylContact O-C 3.5Å; K10-V48 HydrophobicContact CB-CB 4.23Å; K10-V48 HydrophobicContact CB-CG1 4.32Å; K10-V48 HydrophobicContact CB-CG2 3.88Å; K10-V48 HydrophobicContact CD-CG2 4.44Å; K41-V48 WeakPolarHBondContact CE-O 3.48Å; K41-V48 PolarHBondContact NZ-O 2.81Å |
| 49 | W | 92.8 | Very high | 87.7 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 6% | 0.057 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -52.8 | 177.2 | -63.7 | -82 | 0 | 0 | 0 | 111.4 | V8 K9 A11 P25 V27 T38 K39 P47 E51 V72 I119 | V8-W49 HydrophobicContact CG1-CD2 4.39Å; V8-W49 HydrophobicContact CG1-CE3 3.81Å; V8-W49 HydrophobicContact CG1-CZ3 4.36Å; K9-W49 PolarHBondContact O-N 2.93Å; A11-W49 HydrophobicContact CB-CH2 3.83Å; A11-W49 HydrophobicContact CB-CZ3 3.67Å; P25-W49 HydrophobicContact CB-CZ2 4.01Å; P25-W49 HydrophobicContact CG-CZ2 4.28Å; P25-W49 PolarHBondContact O-NE1 3.48Å; V27-W49 HydrophobicContact CG2-CD2 4.06Å; V27-W49 HydrophobicContact CG2-CE3 3.85Å; V27-W49 HydrophobicContact CG2-CH2 3.33Å; V27-W49 HydrophobicContact CG2-CZ2 3.59Å; V27-W49 HydrophobicContact CG2-CZ3 3.48Å; V27-W49 VanDerWaalsContact CG2-CZ3 3.48Å; T38-W49 HydrophobicContact CG2-CG 4.4Å; T38-W49 PolarHBondContact OG1-NE1 2.93Å; K39-W49 PolarHBondContact O-NE1 2.92Å; P47-W49 HydrophobicContact CB-CD2 4.4Å; P47-W49 HydrophobicContact CB-CH2 3.92Å; P47-W49 HydrophobicContact CB-CZ2 3.71Å; P47-W49 HydrophobicContact CB-CZ3 4.32Å; P47-W49 HydrophobicContact CG-CE3 4.39Å; P47-W49 HydrophobicContact CG-CH2 3.18Å; P47-W49 HydrophobicContact CG-CZ2 3.42Å; P47-W49 VanDerWaalsContact CG-CZ2 3.42Å; P47-W49 HydrophobicContact CG-CZ3 3.72Å; W49-E51 VanDerWaalsContact C-N 3.26Å; W49-E51 HydrophobicContact CB-CG 4.4Å; W49-E51 PolarHBondContact O-N 3.13Å; W49-V72 HydrophobicContact CH2-CG1 4.43Å; W49-I119 HydrophobicContact CZ3-CD1 4.46Å |
| 50 | D | 90.1 | Very high | 87.1 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.3 | 47.5 | -171.4 | -154.6 | 30.7 | 0 | 0 | 0 | 112 | N7 V8 K9 | N7-D50 PolarHBondContact OD1-OD1 3.32Å; V8-D50 VanDerWaalsContact O-CA 3.28Å; V8-D50 WeakPolarHBondContact O-CA 3.15Å; V8-D50 PolarHBondContact O-N 3.23Å; K9-D50 PolarHBondContact O-N 2.85Å |
| 51 | E | 90.7 | Very high | 86.6 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 18% | 0.178 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.4 | -178.2 | -72.6 | -165.6 | 154.4 | 0 | 0 | 111.7 | N7 V8 T38 K39 W49 | N7-E51 WeakPolarHBondContact CA-O 3.47Å; V8-E51 PolarHBondContact N-O 3.37Å; V8-E51 PolarHBondContact O-N 2.84Å; V8-E51 VanDerWaalsContact O-N 3.07Å; T38-E51 WeakPolarHBondContact CA-OE2 3.38Å; T38-E51 WeakPolarHBondContact CB-OE2 3.04Å; T38-E51 HydrophobicContact CG2-CB 4.26Å; K39-E51 VanDerWaalsContact CD-OE1 3.26Å; K39-E51 WeakPolarHBondContact CD-OE1 3.12Å; K39-E51 WeakPolarHBondContact CE-OE1 3.22Å; K39-E51 WeakPolarHBondContact CG-OE1 3.5Å; K39-E51 PolarHBondContact N-OE2 3.39Å; K39-E51 IonicContact NZ-OE1 3.33Å; K39-E51 PolarHBondContact NZ-OE1 2.95Å; W49-E51 VanDerWaalsContact C-N 3.26Å; W49-E51 HydrophobicContact CB-CG 4.4Å; W49-E51 PolarHBondContact O-N 3.13Å |
| 52 | E | 91.4 | Very high | 86.3 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 121.6 | 174.1 | -170.3 | -178.8 | -152.7 | 0 | 0 | 111.2 | H5 N7 I54 | H5-E52 IonicContact CE1-OE1 3.23Å; H5-E52 IonicContact CG-OE1 2.71Å; H5-E52 IonicContact ND1-OE1 2.83Å; H5-E52 PolarHBondContact ND1-OE1 2.79Å; N7-E52 HydrophobicContact CB-CB 4.46Å; E52-I54 HydrophobicContact CG-CG1 4.35Å |
| 53 | I | 90.6 | Very high | 86.3 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.1 | 174.5 | -72 | 170.5 | 0 | 0 | 0 | 108 | V6 V8 V29 Q36 T38 I55 | V6-I53 HydrophobicContact CB-CB 4.43Å; V6-I53 PolarHBondContact N-O 2.96Å; V6-I53 PolarHBondContact O-N 2.99Å; V8-I53 HydrophobicContact CG2-CD1 4.48Å; V29-I53 HydrophobicContact CB-CD1 4.22Å; V29-I53 HydrophobicContact CB-CG2 4.49Å; V29-I53 HydrophobicContact CG2-CD1 3.57Å; Q36-I53 HydrophobicContact CB-CD1 4.3Å; Q36-I53 HydrophobicContact CB-CG2 3.75Å; Q36-I53 HydrophobicContact CG-CG2 4.27Å; T38-I53 HydrophobicContact CG2-CD1 4.04Å; I53-I55 HydrophobicContact CG2-CG1 4.13Å |
| 54 | I | 89.5 | Confident | 85.9 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.4 | 179 | -53.2 | 176.6 | 0 | 0 | 0 | 108.8 | A3 Q36 E52 | A3-I54 HydrophobicContact CB-CG2 4.1Å; Q36-I54 PolarHBondContact NE2-O 3.25Å; E52-I54 HydrophobicContact CG-CG1 4.35Å |
| 55 | I | 88.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.9 | 179.6 | -59.1 | 164.4 | 0 | 0 | 0 | 108.3 | A3 L4 V6 V29 F31 Q34 I53 L57 | A3-I55 WeakPolarHBondContact CA-O 3.48Å; L4-I55 HydrophobicContact CB-CB 4.37Å; L4-I55 HydrophobicContact CD2-CD1 4.35Å; L4-I55 PolarHBondContact N-O 2.91Å; L4-I55 PolarHBondContact O-N 2.82Å; V6-I55 HydrophobicContact CG2-CD1 3.96Å; V29-I55 HydrophobicContact CG1-CD1 3.91Å; F31-I55 HydrophobicContact CB-CD1 3.88Å; F31-I55 HydrophobicContact CB-CG2 4.39Å; F31-I55 HydrophobicContact CD1-CG2 4.06Å; Q34-I55 HydrophobicContact CB-CG2 4.39Å; I53-I55 HydrophobicContact CG2-CG1 4.13Å; I55-L57 HydrophobicContact CG2-CD2 4.2Å; I55-L57 PolarHBondContact O-N 3.44Å |
| 56 | D | 83.9 | Confident | 85.6 | Confident | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.1 | 173.8 | 179.5 | 5.4 | 0 | 0 | 0 | 109.9 | Q34 K58 | Q34-D56 PolarHBondContact NE2-O 3.37Å; Q34-D56 PolarHBondContact OE1-O 2.78Å; D56-K58 PolarHBondContact O-N 2.73Å; D56-K58 WeakPolarHBondContact OD1-CA 3.32Å; D56-K58 PolarHBondContact OD1-N 3.3Å |
| 57 | L | 83.9 | Confident | 85.6 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | trans | -81.9 | 6.2 | 179.8 | -52 | -174.7 | 0 | 0 | 0 | 113 | Y2 L4 F31 I55 G59 K60 L62 Y125 | Y2-L57 WeakPolarHBondContact O-CB 3.38Å; Y2-L57 PolarHBondContact O-N 2.89Å; L4-L57 HydrophobicContact CB-CD2 4.29Å; F31-L57 HydrophobicContact CD1-CD2 3.93Å; F31-L57 HydrophobicContact CE1-CD2 3.48Å; F31-L57 VanDerWaalsContact CE1-CD2 3.48Å; F31-L57 HydrophobicContact CZ-CD2 4.24Å; I55-L57 HydrophobicContact CG2-CD2 4.2Å; I55-L57 PolarHBondContact O-N 3.44Å; L57-G59 PolarHBondContact O-N 3.44Å; L57-G59 VanDerWaalsContact O-N 3.12Å; L57-K60 WeakPolarHBondContact CB-O 2.8Å; L57-K60 PolarHBondContact O-N 3.22Å; L57-L62 HydrophobicContact CD1-CD1 4.42Å; L57-L62 HydrophobicContact CD1-CD2 4.11Å; L57-L62 HydrophobicContact CD1-CG 3.72Å; L57-Y125 HydrophobicContact CD1-CD2 4.31Å; L57-Y125 HydrophobicContact CD1-CE2 3.57Å | ||
| 58 | K | 79.5 | Confident | 85.6 | Confident | 165 Ų | 165 | 59.6 Ų | 59.6 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.3 | 175.3 | -60.3 | -174.4 | 178.7 | -178.8 | 0 | 113.1 | D56 | D56-K58 PolarHBondContact O-N 2.73Å; D56-K58 WeakPolarHBondContact OD1-CA 3.32Å; D56-K58 PolarHBondContact OD1-N 3.3Å |
| 59 | G | 74 | Confident | 85.8 | Confident | 50 Ų | 50 | 57.7 Ų | 57.7 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L57 | L57-G59 PolarHBondContact O-N 3.44Å; L57-G59 VanDerWaalsContact O-N 3.12Å |
| 60 | K | 77.9 | Confident | 85.9 | Confident | 150 Ų | 150 | 57 Ų | 57 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 128.3 | 175.7 | -64.3 | -175.5 | 179.4 | -177.4 | 0 | 110.8 | L57 | L57-K60 WeakPolarHBondContact CB-O 2.8Å; L57-K60 PolarHBondContact O-N 3.22Å |
| 61 | P | 81.4 | Confident | 86.1 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 151.2 | 173.3 | 31 | -33.5 | 0 | 0 | 0 | 111.2 | Y2 Y125 | Y2-P61 HydrophobicContact CE1-CB 4.19Å; P61-Y125 WeakPolarHBondContact CA-OH 3.45Å |
| 62 | L | 82.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.4 | 169.7 | -74.3 | 171.5 | 0 | 0 | 0 | 111.2 | L4 F31 L57 D66 L91 L95 Y125 | L4-L62 HydrophobicContact CD1-CD1 4.19Å; F31-L62 HydrophobicContact CE1-CD2 4.4Å; F31-L62 HydrophobicContact CE2-CD2 3.84Å; F31-L62 HydrophobicContact CZ-CD2 3.5Å; F31-L62 VanDerWaalsContact CZ-CD2 3.5Å; L57-L62 HydrophobicContact CD1-CD1 4.42Å; L57-L62 HydrophobicContact CD1-CD2 4.11Å; L57-L62 HydrophobicContact CD1-CG 3.72Å; L62-D66 WeakPolarHBondContact CA-OD2 3.4Å; L62-D66 HydrophobicContact CD2-CB 4.08Å; L62-L91 HydrophobicContact CD1-CD1 4.23Å; L62-L91 HydrophobicContact CD2-CD1 3.54Å; L62-L95 HydrophobicContact CB-CD2 3.51Å; L62-L95 WeakPolarHBondContact O-CD2 3.19Å; L62-Y125 HydrophobicContact CB-CE1 4.49Å; L62-Y125 HydrophobicContact CB-CE2 4.36Å; L62-Y125 HydrophobicContact CD1-CD1 4.35Å; L62-Y125 HydrophobicContact CD1-CD2 3.51Å; L62-Y125 HydrophobicContact CD1-CE2 3.78Å; L62-Y125 HydrophobicContact CD1-CG 3.82Å; L62-Y125 HydrophobicContact CG-CD2 4.16Å; L62-Y125 HydrophobicContact CG-CE2 3.9Å; L62-Y125 PolarHBondContact N-OH 3.28Å; L62-Y125 VanDerWaalsContact N-OH 3.13Å |
| 63 | V | 82.4 | Confident | 86.5 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | trans | -112.6 | 160.2 | 171.3 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | S65 D66 | V63-S65 PolarHBondContact O-N 2.8Å; V63-S65 VanDerWaalsContact O-N 3.09Å; V63-D66 HydrophobicContact CG2-CB 4.48Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.49Å; V63-D66 PolarHBondContact N-OD2 3.04Å; V63-D66 WeakPolarHBondContact O-CB 2.76Å; V63-D66 PolarHBondContact O-N 2.86Å | ||
| 64 | A | 76.2 | Confident | 86.6 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q92 L95 | A64-Q92 HydrophobicContact CB-CG 4.31Å; A64-L95 HydrophobicContact CB-CD1 4.13Å |
| 65 | S | 79.4 | Confident | 86.6 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.7 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | V63 N67 | V63-S65 PolarHBondContact O-N 2.8Å; V63-S65 VanDerWaalsContact O-N 3.09Å; S65-N67 PolarHBondContact O-ND2 2.78Å |
| 66 | D | 88.9 | Confident | 86.4 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | trans | -71 | 141.6 | -177.7 | -78.3 | -33.2 | 0 | 0 | 0 | 111.8 | F31 Q32 L62 V63 L91 | F31-D66 HydrophobicContact CE2-CB 4.1Å; F31-D66 HydrophobicContact CZ-CB 4.43Å; Q32-D66 PolarHBondContact NE2-OD1 2.9Å; L62-D66 WeakPolarHBondContact CA-OD2 3.4Å; L62-D66 HydrophobicContact CD2-CB 4.08Å; V63-D66 HydrophobicContact CG2-CB 4.48Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.49Å; V63-D66 PolarHBondContact N-OD2 3.04Å; V63-D66 WeakPolarHBondContact O-CB 2.76Å; V63-D66 PolarHBondContact O-N 2.86Å; D66-L91 HydrophobicContact CB-CB 4.45Å; D66-L91 HydrophobicContact CB-CD1 4.13Å; D66-L91 WeakPolarHBondContact O-CB 3.45Å; D66-L91 PolarHBondContact O-N 2.72Å | ||
| 67 | N | 91.3 | Very high | 86 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.6 | 177.6 | -56.4 | -69 | 0 | 0 | 0 | 110.2 | F31 S65 L88 I89 P90 | F31-N67 WeakPolarHBondContact CD2-O 3.36Å; S65-N67 PolarHBondContact O-ND2 2.78Å; N67-L88 HydrophobicContact CB-CD1 3.71Å; N67-L88 HydrophobicContact CB-CD2 4.31Å; N67-L88 HydrophobicContact CB-CG 3.83Å; N67-I89 CarbonylContact C-O 3.55Å; N67-I89 VanDerWaalsContact CA-O 3.27Å; N67-I89 WeakPolarHBondContact CA-O 3.35Å; N67-P90 WeakPolarHBondContact OD1-CA 3.3Å |
| 68 | V | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.7 | 168.5 | 65.2 | 0 | 0 | 0 | 0 | 109.7 | V29 F31 I70 I89 L91 L123 | V29-V68 HydrophobicContact CG1-CG2 3.62Å; F31-V68 HydrophobicContact CB-CG2 4.23Å; F31-V68 HydrophobicContact CD2-CB 4.36Å; V68-I70 HydrophobicContact CG2-CD1 4.21Å; V68-I89 HydrophobicContact CG1-CB 3.79Å; V68-I89 HydrophobicContact CG1-CG2 4.31Å; V68-I89 PolarHBondContact N-O 2.84Å; V68-I89 PolarHBondContact O-N 2.84Å; V68-L91 HydrophobicContact CB-CD2 4.28Å; V68-L91 HydrophobicContact CG1-CD2 3.82Å; V68-L123 HydrophobicContact CG1-CD1 4.43Å |
| 69 | L | 94.7 | Very high | 85.3 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.3 | 178.2 | 178.3 | 62.4 | 0 | 0 | 0 | 109.6 | D30 K71 Q86 L88 | D30-L69 HydrophobicContact CB-CB 4.29Å; D30-L69 PolarHBondContact N-O 2.86Å; D30-L69 PolarHBondContact O-N 3.43Å; L69-K71 HydrophobicContact CG-CG 4.31Å; L69-Q86 HydrophobicContact CD1-CB 4.27Å; L69-L88 HydrophobicContact CB-CD1 3.96Å; L69-L88 HydrophobicContact CD1-CB 4.45Å; L69-L88 HydrophobicContact CD1-CD1 4.2Å |
| 70 | I | 94.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.1 | 176.8 | -54.9 | -62.4 | 0 | 0 | 0 | 108.2 | V6 V27 V28 V29 V68 Q86 A87 I89 I119 L121 | V6-I70 HydrophobicContact CG1-CD1 4.41Å; V27-I70 HydrophobicContact CG1-CG2 3.45Å; V27-I70 VanDerWaalsContact CG1-CG2 3.45Å; V28-I70 CarbonylContact O-C 3.5Å; V28-I70 WeakPolarHBondContact O-CA 3.48Å; V29-I70 HydrophobicContact CB-CD1 4.19Å; V29-I70 HydrophobicContact CG1-CD1 3.91Å; V29-I70 HydrophobicContact CG2-CD1 3.79Å; V68-I70 HydrophobicContact CG2-CD1 4.21Å; I70-Q86 CarbonylContact O-C 3.47Å; I70-Q86 WeakPolarHBondContact O-CA 3.39Å; I70-Q86 WeakPolarHBondContact O-CB 3.49Å; I70-A87 PolarHBondContact N-O 3.33Å; I70-A87 PolarHBondContact O-N 2.9Å; I70-I89 HydrophobicContact CG1-CD1 3.59Å; I70-I89 HydrophobicContact CG1-CG1 4.37Å; I70-I119 HydrophobicContact CG2-CD1 3.74Å; I70-L121 HydrophobicContact CD1-CD2 4.08Å; I70-L121 HydrophobicContact CG1-CD2 3.86Å; I70-L121 HydrophobicContact CG2-CD2 4.48Å |
| 71 | K | 95.2 | Very high | 86.1 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 26% | 0.261 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.6 | 174.7 | -62.3 | -178.1 | 178.4 | 171.5 | 0 | 110.3 | V27 V28 L69 G85 Q86 | V27-K71 CarbonylContact C-O 3.45Å; V27-K71 WeakPolarHBondContact CA-O 3.27Å; V28-K71 HydrophobicContact CB-CB 4.33Å; V28-K71 PolarHBondContact N-O 3.38Å; V28-K71 PolarHBondContact O-N 3.46Å; L69-K71 HydrophobicContact CG-CG 4.31Å; K71-G85 CarbonylContact C-O 3.52Å; K71-G85 WeakPolarHBondContact CA-O 2.98Å; K71-Q86 HydrophobicContact CG-CB 3.88Å |
| 72 | V | 95.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.5 | 172.3 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | L14 P25 Y26 V27 W49 M84 G85 L107 I119 | L14-V72 HydrophobicContact CD1-CG1 3.96Å; L14-V72 HydrophobicContact CD2-CB 4.46Å; L14-V72 HydrophobicContact CD2-CG1 3.85Å; P25-V72 HydrophobicContact CB-CG1 4.23Å; Y26-V72 WeakPolarHBondContact O-CA 3.49Å; V27-V72 HydrophobicContact CG2-CG2 4.22Å; W49-V72 HydrophobicContact CH2-CG1 4.43Å; V72-M84 HydrophobicContact CB-CB 4.4Å; V72-M84 HydrophobicContact CG1-CB 4.3Å; V72-M84 HydrophobicContact CG1-SD 4.16Å; V72-M84 WeakPolarHBondContact O-CB 3.19Å; V72-M84 PolarHBondContact O-N 2.85Å; V72-G85 PolarHBondContact N-O 2.73Å; V72-G85 PolarHBondContact O-N 2.96Å; V72-L107 HydrophobicContact CB-CD1 4.12Å; V72-L107 HydrophobicContact CG2-CD1 3.55Å; V72-L107 HydrophobicContact CG2-CD2 3.85Å; V72-L107 HydrophobicContact CG2-CG 4.37Å; V72-I119 HydrophobicContact CG2-CD1 3.77Å |
| 73 | M | 94 | Very high | 86.9 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 14% | 0.143 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147 | -173.5 | -58 | -62.2 | -63.1 | 0 | 0 | 109.3 | P25 Y26 V28 D81 K82 F83 | P25-M73 CarbonylContact C-O 3.33Å; P25-M73 WeakPolarHBondContact CA-O 3.47Å; Y26-M73 HydrophobicContact CD1-CB 3.97Å; Y26-M73 HydrophobicContact CD2-CB 4.46Å; Y26-M73 HydrophobicContact CE1-CB 3.47Å; Y26-M73 VanDerWaalsContact CE1-CB 3.47Å; Y26-M73 HydrophobicContact CE1-CG 4.46Å; Y26-M73 HydrophobicContact CE2-CB 4Å; Y26-M73 HydrophobicContact CE2-CG 4.22Å; Y26-M73 HydrophobicContact CG-CB 4.46Å; Y26-M73 VanDerWaalsContact CZ-CB 3.49Å; Y26-M73 PolarHBondContact N-O 3.06Å; Y26-M73 PolarHBondContact O-N 2.77Å; V28-M73 HydrophobicContact CG2-CG 4.2Å; M73-D81 HydrophobicContact CE-CB 4.18Å; M73-D81 WeakPolarHBondContact CE-O 3.5Å; M73-K82 CarbonylContact C-O 3.47Å; M73-K82 WeakPolarHBondContact CA-O 3.47Å; M73-F83 HydrophobicContact CE-CB 4.34Å; M73-F83 HydrophobicContact SD-CB 4.21Å; M73-F83 HydrophobicContact SD-CD2 3.92Å |
| 74 | D | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.7 | 170.4 | -166.4 | 4.7 | 0 | 0 | 0 | 108.7 | I17 S23 D24 D81 K82 M84 | I17-D74 HydrophobicContact CD1-CB 3.69Å; I17-D74 HydrophobicContact CG1-CB 4.01Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.38Å; S23-D74 WeakPolarHBondContact CA-OD1 3Å; S23-D74 VanDerWaalsContact CB-CG 3.42Å; S23-D74 WeakPolarHBondContact CB-OD1 3.34Å; S23-D74 WeakPolarHBondContact CB-OD2 3.46Å; S23-D74 PolarHBondContact OG-OD2 2.82Å; D24-D74 WeakPolarHBondContact CA-OD1 3.19Å; D24-D74 PolarHBondContact N-OD1 2.85Å; D74-D81 CarbonylContact O-C 3.53Å; D74-D81 WeakPolarHBondContact O-CA 3.38Å; D74-D81 VanDerWaalsContact O-CB 3.28Å; D74-D81 WeakPolarHBondContact O-CB 3.05Å; D74-K82 HydrophobicContact CB-CB 4.28Å; D74-K82 PolarHBondContact N-O 2.88Å; D74-K82 PolarHBondContact O-N 3.39Å; D74-M84 HydrophobicContact CB-CG 3.94Å; D74-M84 HydrophobicContact CB-SD 3.75Å |
| 75 | F | 89 | Confident | 87.8 | Confident | 63 Ų | 63 | 51 Ų | 51 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | trans | -82.9 | 125.1 | -178.1 | 176.8 | -104.5 | 0 | 0 | 0 | 111.1 | D24 Y26 V40 K77 | D24-F75 HydrophobicContact CB-CB 4.26Å; D24-F75 WeakPolarHBondContact O-CB 3.37Å; D24-F75 PolarHBondContact O-N 2.85Å; Y26-F75 HydrophobicContact CD1-CB 3.95Å; Y26-F75 HydrophobicContact CE1-CB 4.06Å; V40-F75 HydrophobicContact CB-CB 4.32Å; V40-F75 HydrophobicContact CG1-CB 3.56Å; V40-F75 HydrophobicContact CG1-CD1 4.02Å; V40-F75 HydrophobicContact CG1-CG 4Å; V40-F75 HydrophobicContact CG2-CB 3.73Å; V40-F75 HydrophobicContact CG2-CD1 4.26Å; V40-F75 HydrophobicContact CG2-CD2 4.11Å; V40-F75 HydrophobicContact CG2-CG 3.76Å; F75-K77 HydrophobicContact CE1-CG 3.92Å; F75-K77 HydrophobicContact CZ-CG 4.47Å | ||
| 76 | D | 84.3 | Confident | 88.6 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | trans | -117 | 127.7 | 178 | -104.4 | -67.3 | 0 | 0 | 0 | 110.3 | V78 T79 D81 K82 | D76-V78 VanDerWaalsContact C-N 3.29Å; D76-V78 PolarHBondContact O-N 3.2Å; D76-T79 WeakPolarHBondContact CB-O 3.42Å; D76-T79 WeakPolarHBondContact CB-OG1 3.35Å; D76-T79 PolarHBondContact OD1-OG1 2.66Å; D76-T79 PolarHBondContact OD2-OG1 2.99Å; D76-T79 VanDerWaalsContact OD2-OG1 3.12Å; D76-D81 PolarHBondContact N-OD1 3.01Å; D76-D81 VanDerWaalsContact N-OD1 3.09Å; D76-K82 IonicContact OD1-NZ 3.02Å; D76-K82 WeakPolarHBondContact OD2-CD 3.16Å; D76-K82 WeakPolarHBondContact OD2-CE 3.29Å; D76-K82 IonicContact OD2-NZ 2.73Å; D76-K82 PolarHBondContact OD2-NZ 3.25Å | ||
| 77 | K | 76.6 | Confident | 88.8 | Confident | 190 Ų | 190 | 48 Ų | 48 | 83% | 0.826 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -67.1 | -28.8 | 178.7 | -85.4 | 178 | -178.9 | 157.7 | 0 | 114 | F75 | F75-K77 HydrophobicContact CE1-CG 3.92Å; F75-K77 HydrophobicContact CZ-CG 4.47Å |
| 78 | V | 74.8 | Confident | 88.8 | Confident | 139 Ų | 139 | 49.9 Ų | 49.9 | 84% | 0.842 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -119 | -27.6 | -169.1 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | D76 | D76-V78 VanDerWaalsContact C-N 3.29Å; D76-V78 PolarHBondContact O-N 3.2Å |
| 79 | T | 74.5 | Confident | 88.8 | Confident | 65 Ų | 65 | 50 Ų | 50 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -114.7 | 163.4 | -178.9 | 73.6 | 0 | 0 | 0 | 0 | 111 | D76 D81 | D76-T79 WeakPolarHBondContact CB-O 3.42Å; D76-T79 WeakPolarHBondContact CB-OG1 3.35Å; D76-T79 PolarHBondContact OD1-OG1 2.66Å; D76-T79 PolarHBondContact OD2-OG1 2.99Å; D76-T79 VanDerWaalsContact OD2-OG1 3.12Å; T79-D81 PolarHBondContact O-N 2.96Å |
| 80 | P | 78.8 | Confident | 88.5 | Confident | 114 Ų | 114 | 51.8 Ų | 51.8 | 74% | 0.74 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -62 | 133.3 | 177 | -20 | 32 | 0 | 0 | 0 | 111 | K82 | P80-K82 PolarHBondContact O-N 2.87Š|
| 81 | D | 89.8 | Confident | 88.1 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -46.7 | 129.8 | 177.3 | -64.1 | -8 | 0 | 0 | 0 | 111.9 | Y26 M73 D74 D76 T79 | Y26-D81 HydrophobicContact CE1-CB 4.29Å; Y26-D81 VanDerWaalsContact CE1-OD2 3.31Å; Y26-D81 WeakPolarHBondContact CE1-OD2 3.3Å; Y26-D81 VanDerWaalsContact CZ-OD2 3.29Å; Y26-D81 PolarHBondContact OH-OD2 3.22Å; M73-D81 HydrophobicContact CE-CB 4.18Å; M73-D81 WeakPolarHBondContact CE-O 3.5Å; D74-D81 CarbonylContact O-C 3.53Å; D74-D81 WeakPolarHBondContact O-CA 3.38Å; D74-D81 VanDerWaalsContact O-CB 3.28Å; D74-D81 WeakPolarHBondContact O-CB 3.05Å; D76-D81 PolarHBondContact N-OD1 3.01Å; D76-D81 VanDerWaalsContact N-OD1 3.09Å; T79-D81 PolarHBondContact O-N 2.96Å |
| 82 | K | 88.1 | Confident | 87.4 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 29% | 0.291 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.3 | -170.8 | -60.7 | 168.3 | -176 | 127.3 | 0 | 110.4 | I17 E18 M73 D74 D76 P80 | I17-K82 HydrophobicContact CD1-CB 3.34Å; I17-K82 HydrophobicContact CD1-CD 4.03Å; I17-K82 HydrophobicContact CD1-CG 4.36Å; I17-K82 HydrophobicContact CG1-CB 4.4Å; I17-K82 HydrophobicContact CG1-CD 4.29Å; E18-K82 IonicContact OE1-NZ 2.74Å; E18-K82 PolarHBondContact OE1-NZ 2.88Å; E18-K82 IonicContact OE2-NZ 3.04Å; M73-K82 CarbonylContact C-O 3.47Å; M73-K82 WeakPolarHBondContact CA-O 3.47Å; D74-K82 HydrophobicContact CB-CB 4.28Å; D74-K82 PolarHBondContact N-O 2.88Å; D74-K82 PolarHBondContact O-N 3.39Å; D76-K82 IonicContact OD1-NZ 3.02Å; D76-K82 WeakPolarHBondContact OD2-CD 3.16Å; D76-K82 WeakPolarHBondContact OD2-CE 3.29Å; D76-K82 IonicContact OD2-NZ 2.73Å; D76-K82 PolarHBondContact OD2-NZ 3.25Å; P80-K82 PolarHBondContact O-N 2.87Å |
| 83 | F | 91.5 | Very high | 86.5 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130.6 | -178.8 | 174.2 | -92.6 | 0 | 0 | 0 | 112 | M73 G85 Q86 K110 | M73-F83 HydrophobicContact CE-CB 4.34Å; M73-F83 HydrophobicContact SD-CB 4.21Å; M73-F83 HydrophobicContact SD-CD2 3.92Å; F83-G85 WeakPolarHBondContact CE2-O 3.44Å; F83-Q86 HydrophobicContact CE2-CB 3.89Å; F83-Q86 HydrophobicContact CE2-CG 4.29Å; F83-Q86 HydrophobicContact CZ-CB 3.91Å; F83-Q86 HydrophobicContact CZ-CG 3.92Å; F83-K110 HydrophobicContact CD1-CD 4.24Å; F83-K110 HydrophobicContact CD1-CG 3.46Å; F83-K110 VanDerWaalsContact CD1-CG 3.46Å; F83-K110 HydrophobicContact CE1-CB 4.41Å; F83-K110 HydrophobicContact CE1-CG 3.54Å; F83-K110 HydrophobicContact CG-CG 4.1Å; F83-K110 HydrophobicContact CZ-CG 4.24Å |
| 84 | M | 86.7 | Confident | 86 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -32.1 | 179.7 | -55 | 178.7 | 84.9 | 0 | 0 | 113.1 | L14 K15 I17 S23 P25 V72 D74 | L14-M84 HydrophobicContact CB-CE 3.8Å; L14-M84 HydrophobicContact CD1-CE 4.33Å; K15-M84 WeakPolarHBondContact O-CE 3.44Å; I17-M84 HydrophobicContact CD1-CG 3.85Å; S23-M84 VanDerWaalsContact CB-CE 3.43Å; P25-M84 HydrophobicContact CB-SD 3.95Å; V72-M84 HydrophobicContact CB-CB 4.4Å; V72-M84 HydrophobicContact CG1-CB 4.3Å; V72-M84 HydrophobicContact CG1-SD 4.16Å; V72-M84 WeakPolarHBondContact O-CB 3.19Å; V72-M84 PolarHBondContact O-N 2.85Å; D74-M84 HydrophobicContact CB-CG 3.94Å; D74-M84 HydrophobicContact CB-SD 3.75Å |
| 85 | G | 91.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | 167.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K71 V72 F83 Q108 | K71-G85 CarbonylContact C-O 3.52Å; K71-G85 WeakPolarHBondContact CA-O 2.98Å; V72-G85 PolarHBondContact N-O 2.73Å; V72-G85 PolarHBondContact O-N 2.96Å; F83-G85 WeakPolarHBondContact CE2-O 3.44Å; G85-Q108 CarbonylContact C-O 3.56Å; G85-Q108 VanDerWaalsContact CA-O 3.26Å; G85-Q108 WeakPolarHBondContact CA-O 3.26Å |
| 86 | Q | 95.8 | Very high | 84.3 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155 | 175.5 | 68.9 | -174.2 | -1.8 | 0 | 0 | 112.8 | L69 I70 K71 F83 Q108 | L69-Q86 HydrophobicContact CD1-CB 4.27Å; I70-Q86 CarbonylContact O-C 3.47Å; I70-Q86 WeakPolarHBondContact O-CA 3.39Å; I70-Q86 WeakPolarHBondContact O-CB 3.49Å; K71-Q86 HydrophobicContact CG-CB 3.88Å; F83-Q86 HydrophobicContact CE2-CB 3.89Å; F83-Q86 HydrophobicContact CE2-CG 4.29Å; F83-Q86 HydrophobicContact CZ-CB 3.91Å; F83-Q86 HydrophobicContact CZ-CG 3.92Å; Q86-Q108 PolarHBondContact N-O 3.01Å; Q86-Q108 WeakPolarHBondContact O-CA 3.5Å; Q86-Q108 WeakPolarHBondContact O-CB 3.2Å; Q86-Q108 PolarHBondContact O-N 2.67Å |
| 87 | A | 92.9 | Very high | 83.3 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I70 V105 L107 | I70-A87 PolarHBondContact N-O 3.33Å; I70-A87 PolarHBondContact O-N 2.9Å; A87-V105 HydrophobicContact CB-CB 4.32Å; A87-V105 HydrophobicContact CB-CG2 3.6Å; A87-L107 HydrophobicContact CB-CD2 4.27Å |
| 88 | L | 92.8 | Very high | 82.8 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 53% | 0.534 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.1 | 172.2 | -170.5 | 70.4 | 0 | 0 | 0 | 108.5 | N67 L69 | N67-L88 HydrophobicContact CB-CD1 3.71Å; N67-L88 HydrophobicContact CB-CD2 4.31Å; N67-L88 HydrophobicContact CB-CG 3.83Å; L69-L88 HydrophobicContact CB-CD1 3.96Å; L69-L88 HydrophobicContact CD1-CB 4.45Å; L69-L88 HydrophobicContact CD1-CD1 4.2Å |
| 89 | I | 91.1 | Very high | 82.8 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116.2 | -170.6 | -58.6 | 176.4 | 0 | 0 | 0 | 109.7 | N67 V68 I70 I103 V105 L121 L123 | N67-I89 CarbonylContact C-O 3.55Å; N67-I89 VanDerWaalsContact CA-O 3.27Å; N67-I89 WeakPolarHBondContact CA-O 3.35Å; V68-I89 HydrophobicContact CG1-CB 3.79Å; V68-I89 HydrophobicContact CG1-CG2 4.31Å; V68-I89 PolarHBondContact N-O 2.84Å; V68-I89 PolarHBondContact O-N 2.84Å; I70-I89 HydrophobicContact CG1-CD1 3.59Å; I70-I89 HydrophobicContact CG1-CG1 4.37Å; I89-I103 HydrophobicContact CD1-CG2 4.14Å; I89-I103 HydrophobicContact CG2-CD1 3.43Å; I89-I103 VanDerWaalsContact CG2-CD1 3.43Å; I89-I103 HydrophobicContact CG2-CG2 4.14Å; I89-V105 HydrophobicContact CD1-CG2 4.03Å; I89-V105 HydrophobicContact CG1-CG2 4.26Å; I89-L121 HydrophobicContact CD1-CD1 4.03Å; I89-L121 HydrophobicContact CD1-CD2 3.63Å; I89-L121 HydrophobicContact CD1-CG 4.25Å; I89-L123 HydrophobicContact CG2-CD1 4.09Å |
| 90 | P | 87.5 | Confident | 83.1 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 133.1 | 175.3 | -18.2 | 31 | 0 | 0 | 0 | 112.6 | N67 | N67-P90 WeakPolarHBondContact OD1-CA 3.3Å |
| 91 | L | 87.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -90.1 | 1.1 | -177.7 | -61.8 | -179.4 | 0 | 0 | 0 | 113.7 | L4 F31 L62 D66 V68 S93 V94 L123 | L4-L91 HydrophobicContact CD1-CD2 4.43Å; L4-L91 HydrophobicContact CD2-CD1 3.77Å; L4-L91 HydrophobicContact CD2-CD2 4.19Å; F31-L91 HydrophobicContact CD2-CD1 3.89Å; F31-L91 HydrophobicContact CE2-CD1 3.47Å; F31-L91 VanDerWaalsContact CE2-CD1 3.47Å; F31-L91 HydrophobicContact CZ-CD1 4.39Å; L62-L91 HydrophobicContact CD1-CD1 4.23Å; L62-L91 HydrophobicContact CD2-CD1 3.54Å; D66-L91 HydrophobicContact CB-CB 4.45Å; D66-L91 HydrophobicContact CB-CD1 4.13Å; D66-L91 WeakPolarHBondContact O-CB 3.45Å; D66-L91 PolarHBondContact O-N 2.72Å; V68-L91 HydrophobicContact CB-CD2 4.28Å; V68-L91 HydrophobicContact CG1-CD2 3.82Å; L91-S93 PolarHBondContact O-N 3.18Å; L91-S93 VanDerWaalsContact O-N 3.17Å; L91-V94 HydrophobicContact CD2-CG2 4.3Å; L91-V94 PolarHBondContact O-N 3.1Å; L91-L123 HydrophobicContact CD2-CD1 3.43Å; L91-L123 VanDerWaalsContact CD2-CD1 3.43Å | ||
| 92 | Q | 81.4 | Confident | 83.3 | Confident | 120 Ų | 120 | 54.9 Ų | 54.9 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -37.4 | -179.4 | -172.6 | -179.2 | -3.6 | 0 | 0 | 112.8 | A64 V94 | A64-Q92 HydrophobicContact CB-CG 4.31Å; Q92-V94 VanDerWaalsContact C-N 3.27Å; Q92-V94 PolarHBondContact O-N 2.81Å |
| 93 | S | 76.1 | Confident | 83.3 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -22.5 | -179.7 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | L91 | L91-S93 PolarHBondContact O-N 3.18Å; L91-S93 VanDerWaalsContact O-N 3.17Å |
| 94 | V | 82.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -24.7 | -176.6 | -160.7 | 0 | 0 | 0 | 0 | 111.5 | L91 Q92 S96 A97 L123 | L91-V94 HydrophobicContact CD2-CG2 4.3Å; L91-V94 PolarHBondContact O-N 3.1Å; Q92-V94 VanDerWaalsContact C-N 3.27Å; Q92-V94 PolarHBondContact O-N 2.81Å; V94-S96 VanDerWaalsContact C-N 3.27Å; V94-S96 PolarHBondContact O-N 2.71Å; V94-A97 PolarHBondContact O-N 3.25Å; V94-A97 VanDerWaalsContact O-N 3.15Å; V94-L123 HydrophobicContact CG1-CB 4.22Å; V94-L123 HydrophobicContact CG2-CB 3.68Å; V94-L123 HydrophobicContact CG2-CD1 3.77Å; V94-L123 HydrophobicContact CG2-CG 4.4Å |
| 95 | L | 77.5 | Confident | 83.5 | Confident | 66 Ų | 66 | 56 Ų | 56 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.2 | -177.6 | -71.8 | 173.3 | 0 | 0 | 0 | 113.9 | L62 A64 Y125 | L62-L95 HydrophobicContact CB-CD2 3.51Å; L62-L95 WeakPolarHBondContact O-CD2 3.19Å; A64-L95 HydrophobicContact CB-CD1 4.13Å; L95-Y125 HydrophobicContact CD2-CE1 4.44Å |
| 96 | S | 68.9 | Low | 83.5 | Confident | 108 Ų | 108 | 58.8 Ų | 58.8 | 76% | 0.755 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -6.1 | -179.9 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | V94 | V94-S96 VanDerWaalsContact C-N 3.27Å; V94-S96 PolarHBondContact O-N 2.71Å |
| 97 | A | 63.5 | Low | 83.4 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | trans | -97.6 | 120.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V94 V99 V101 | V94-A97 PolarHBondContact O-N 3.25Å; V94-A97 VanDerWaalsContact O-N 3.15Å; A97-V99 VanDerWaalsContact C-N 3.28Å; A97-V101 HydrophobicContact CB-CG2 3.42Å; A97-V101 VanDerWaalsContact CB-CG2 3.42Å | ||
| 98 | T | 64.9 | Low | 83.2 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 66% | 0.656 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -82.6 | -8.6 | 168.7 | 41.9 | 0 | 0 | 0 | 0 | 113 | F127 | T98-F127 HydrophobicContact CG2-CE1 4.3Å; T98-F127 HydrophobicContact CG2-CZ 4.36Å |
| 99 | V | 76.1 | Confident | 82.8 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 64% | 0.642 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -112.9 | 155.9 | -178.7 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | A97 V101 | A97-V99 VanDerWaalsContact C-N 3.28Å; V99-V101 PolarHBondContact O-N 3.41Å |
| 100 | E | 79.6 | Confident | 82.1 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 36% | 0.36 | 37% | 0.371 | S | S | . | . | trans | -54.2 | 128.2 | 170.7 | -92.2 | -177.7 | -149.6 | 0 | 0 | 112.1 | P102 S122 L123 R124 | E100-P102 WeakPolarHBondContact O-CD 3.21Å; E100-S122 WeakPolarHBondContact OE2-CB 3.42Å; E100-S122 PolarHBondContact OE2-OG 3.33Å; E100-L123 CarbonylContact C-O 3.52Å; E100-L123 WeakPolarHBondContact CA-O 3.35Å; E100-R124 HydrophobicContact CG-CB 3.74Å | ||
| 101 | V | 85 | Confident | 81.1 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 110.6 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | A97 V99 I103 S122 L123 | A97-V101 HydrophobicContact CB-CG2 3.42Å; A97-V101 VanDerWaalsContact CB-CG2 3.42Å; V99-V101 PolarHBondContact O-N 3.41Å; V101-I103 HydrophobicContact CG1-CG1 4.36Å; V101-S122 CarbonylContact O-C 3.52Å; V101-S122 VanDerWaalsContact O-CA 3.24Å; V101-S122 WeakPolarHBondContact O-CA 3.29Å; V101-L123 PolarHBondContact N-O 2.64Å; V101-L123 PolarHBondContact O-N 2.8Å |
| 102 | P | 87.9 | Confident | 80.4 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 66% | 0.662 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 138.2 | 174.5 | 30 | -33.2 | 0 | 0 | 0 | 110.8 | E100 L121 | E100-P102 WeakPolarHBondContact O-CD 3.21Å; P102-L121 CarbonylContact C-O 3.59Å |
| 103 | I | 88.2 | Confident | 79.8 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.5 | -179.1 | -60.1 | -172.2 | 0 | 0 | 0 | 108.6 | I89 V101 V105 E120 L121 L123 | I89-I103 HydrophobicContact CD1-CG2 4.14Å; I89-I103 HydrophobicContact CG2-CD1 3.43Å; I89-I103 VanDerWaalsContact CG2-CD1 3.43Å; I89-I103 HydrophobicContact CG2-CG2 4.14Å; V101-I103 HydrophobicContact CG1-CG1 4.36Å; I103-V105 HydrophobicContact CG2-CG1 3.69Å; I103-V105 HydrophobicContact CG2-CG2 4.49Å; I103-E120 CarbonylContact O-C 3.55Å; I103-E120 WeakPolarHBondContact O-CA 3.34Å; I103-L121 HydrophobicContact CB-CD1 3.9Å; I103-L121 HydrophobicContact CB-CG 4.3Å; I103-L121 HydrophobicContact CD1-CD1 4.35Å; I103-L121 HydrophobicContact CG1-CD1 4.44Å; I103-L121 HydrophobicContact CG2-CD1 4.42Å; I103-L121 PolarHBondContact N-O 2.84Å; I103-L121 PolarHBondContact O-N 3.47Å; I103-L121 VanDerWaalsContact O-O 3.07Å; I103-L123 HydrophobicContact CD1-CD1 3.34Å; I103-L123 HydrophobicContact CD1-CG 3.75Å |
| 104 | C | 91.4 | Very high | 80 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.5 | 170.3 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | I119 E120 | C104-I119 WeakPolarHBondContact CA-O 3.43Å; C104-E120 HydrophobicContact CB-CG 3.93Å; C104-E120 VanDerWaalsContact SG-CG 3.57Å |
| 105 | V | 90.8 | Very high | 79.9 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 24% | 0.242 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.4 | -176.5 | -71.1 | 0 | 0 | 0 | 0 | 110.9 | A87 I89 I103 T118 I119 | A87-V105 HydrophobicContact CB-CB 4.32Å; A87-V105 HydrophobicContact CB-CG2 3.6Å; I89-V105 HydrophobicContact CD1-CG2 4.03Å; I89-V105 HydrophobicContact CG1-CG2 4.26Å; I103-V105 HydrophobicContact CG2-CG1 3.69Å; I103-V105 HydrophobicContact CG2-CG2 4.49Å; V105-T118 CarbonylContact O-C 3.6Å; V105-T118 WeakPolarHBondContact O-CA 3.39Å; V105-I119 HydrophobicContact CG2-CG2 3.57Å; V105-I119 PolarHBondContact N-O 3Å; V105-I119 PolarHBondContact O-N 3.28Å |
| 106 | V | 92.3 | Very high | 79.9 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133.7 | 172 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | D114 T115 T118 | V106-D114 HydrophobicContact CG1-CB 3.8Å; V106-T115 WeakPolarHBondContact CG1-O 3.19Å; V106-T118 HydrophobicContact CG2-CG2 4.16Å |
| 107 | L | 92.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 142.2 | 176.3 | -68.6 | 170.9 | 0 | 0 | 0 | 110 | L14 V72 A87 T115 S117 I119 | L14-L107 HydrophobicContact CD2-CD1 3.75Å; V72-L107 HydrophobicContact CB-CD1 4.12Å; V72-L107 HydrophobicContact CG2-CD1 3.55Å; V72-L107 HydrophobicContact CG2-CD2 3.85Å; V72-L107 HydrophobicContact CG2-CG 4.37Å; A87-L107 HydrophobicContact CB-CD2 4.27Å; L107-T115 VanDerWaalsContact O-CB 3.27Å; L107-T115 WeakPolarHBondContact O-CB 3.3Å; L107-T115 WeakPolarHBondContact O-CG2 3.15Å; L107-T115 PolarHBondContact O-N 3.22Å; L107-T115 PolarHBondContact O-OG1 3.21Å; L107-S117 PolarHBondContact N-O 2.79Å; L107-I119 HydrophobicContact CD2-CB 4.19Å; L107-I119 HydrophobicContact CD2-CG2 3.69Å; L107-I119 HydrophobicContact CG-CB 4.35Å; L107-I119 HydrophobicContact CG-CG2 4.17Å |
| 108 | Q | 88.9 | Confident | 82.1 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 146.3 | 176 | -65.9 | 179.4 | -20.1 | 0 | 0 | 111.5 | G85 Q86 G112 Q113 D114 | G85-Q108 CarbonylContact C-O 3.56Å; G85-Q108 VanDerWaalsContact CA-O 3.26Å; G85-Q108 WeakPolarHBondContact CA-O 3.26Å; Q86-Q108 PolarHBondContact N-O 3.01Å; Q86-Q108 WeakPolarHBondContact O-CA 3.5Å; Q86-Q108 WeakPolarHBondContact O-CB 3.2Å; Q86-Q108 PolarHBondContact O-N 2.67Å; Q108-G112 PolarHBondContact NE2-O 2.88Å; Q108-Q113 CarbonylContact C-O 3.44Å; Q108-Q113 WeakPolarHBondContact CA-O 3.46Å; Q108-D114 VanDerWaalsContact CG-OD1 3.26Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.49Å; Q108-D114 PolarHBondContact NE2-OD1 2.82Å; Q108-D114 VanDerWaalsContact NE2-OD1 3.08Å |
| 109 | N | 84 | Confident | 83.5 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 25% | 0.246 | 37% | 0.366 | C | S | . | . | trans | -73.6 | -179.7 | 172.1 | 71.2 | 20.2 | 0 | 0 | 0 | 111.4 | K111 G112 Q113 T115 | N109-K111 PolarHBondContact O-N 3.04Å; N109-K111 WeakPolarHBondContact OD1-CA 3.39Å; N109-K111 WeakPolarHBondContact OD1-CB 3.4Å; N109-K111 PolarHBondContact OD1-N 2.73Å; N109-G112 PolarHBondContact O-N 2.73Å; N109-G112 PolarHBondContact OD1-N 2.99Å; N109-Q113 PolarHBondContact N-O 2.89Å; N109-Q113 PolarHBondContact ND2-OE1 2.88Å; N109-Q113 PolarHBondContact OD1-N 2.94Å; N109-T115 HydrophobicContact CB-CG2 4.2Å | ||
| 110 | K | 76.8 | Confident | 84.3 | Confident | 163 Ų | 163 | 65.3 Ų | 65.3 | 71% | 0.709 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -12.3 | -179.6 | -67.6 | -170.7 | 179.3 | -179.9 | 0 | 114.6 | F83 | F83-K110 HydrophobicContact CD1-CD 4.24Å; F83-K110 HydrophobicContact CD1-CG 3.46Å; F83-K110 VanDerWaalsContact CD1-CG 3.46Å; F83-K110 HydrophobicContact CE1-CB 4.41Å; F83-K110 HydrophobicContact CE1-CG 3.54Å; F83-K110 HydrophobicContact CG-CG 4.1Å; F83-K110 HydrophobicContact CZ-CG 4.24Å |
| 111 | K | 66.9 | Low | 85 | Confident | 135 Ų | 135 | 61.7 Ų | 61.7 | 59% | 0.587 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 6.9 | -178.9 | -63.5 | 170.8 | 175.5 | -93 | 0 | 112.9 | N109 Y455 | N109-K111 PolarHBondContact O-N 3.04Å; N109-K111 WeakPolarHBondContact OD1-CA 3.39Å; N109-K111 WeakPolarHBondContact OD1-CB 3.4Å; N109-K111 PolarHBondContact OD1-N 2.73Å; K111-Y455 HydrophobicContact CD-CE1 4.35Å; K111-Y455 WeakPolarHBondContact CE-OH 3.16Å; K111-Y455 PolarHBondContact NZ-OH 2.72Å |
| 112 | G | 72.5 | Confident | 85.3 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 81.3 | 11.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q108 N109 | Q108-G112 PolarHBondContact NE2-O 2.88Å; N109-G112 PolarHBondContact O-N 2.73Å; N109-G112 PolarHBondContact OD1-N 2.99Å |
| 113 | Q | 69.5 | Low | 85.6 | Confident | 109 Ų | 109 | 55.6 Ų | 55.6 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 133.8 | 176.7 | -60.7 | 169.4 | -32.4 | 0 | 0 | 110.7 | Q108 N109 | Q108-Q113 CarbonylContact C-O 3.44Å; Q108-Q113 WeakPolarHBondContact CA-O 3.46Å; N109-Q113 PolarHBondContact N-O 2.89Å; N109-Q113 PolarHBondContact ND2-OE1 2.88Å; N109-Q113 PolarHBondContact OD1-N 2.94Å |
| 114 | D | 79.8 | Confident | 85.5 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 59% | 0.588 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 134.8 | 175.5 | -69 | -5.8 | 0 | 0 | 0 | 111.6 | V106 Q108 | V106-D114 HydrophobicContact CG1-CB 3.8Å; Q108-D114 VanDerWaalsContact CG-OD1 3.26Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.49Å; Q108-D114 PolarHBondContact NE2-OD1 2.82Å; Q108-D114 VanDerWaalsContact NE2-OD1 3.08Å |
| 115 | T | 80.2 | Confident | 85.3 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 173.9 | 175.6 | 67.5 | 0 | 0 | 0 | 0 | 110 | V106 L107 N109 S117 | V106-T115 WeakPolarHBondContact CG1-O 3.19Å; L107-T115 VanDerWaalsContact O-CB 3.27Å; L107-T115 WeakPolarHBondContact O-CB 3.3Å; L107-T115 WeakPolarHBondContact O-CG2 3.15Å; L107-T115 PolarHBondContact O-N 3.22Å; L107-T115 PolarHBondContact O-OG1 3.21Å; N109-T115 HydrophobicContact CB-CG2 4.2Å; T115-S117 PolarHBondContact O-N 2.82Å; T115-S117 WeakPolarHBondContact OG1-CB 3.48Å; T115-S117 PolarHBondContact OG1-N 2.85Å; T115-S117 PolarHBondContact OG1-O 2.85Å |
| 116 | M | 78 | Confident | 84.8 | Confident | 162 Ų | 162 | 59 Ų | 59 | 80% | 0.798 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -0.3 | 170.1 | -66.5 | -65.1 | -69.7 | 0 | 0 | 112.8 | N13 | N13-M116 WeakPolarHBondContact CB-O 3.32Å |
| 117 | S | 88.4 | Confident | 83.8 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136 | -177.3 | -47.8 | 0 | 0 | 0 | 0 | 110.5 | N12 N13 L14 L107 T115 | N12-S117 VanDerWaalsContact O-CA 3.29Å; N12-S117 WeakPolarHBondContact O-CA 3.47Å; N13-S117 WeakPolarHBondContact O-CB 3.35Å; N13-S117 PolarHBondContact O-OG 2.9Å; L14-S117 WeakPolarHBondContact CA-OG 3.17Å; L107-S117 PolarHBondContact N-O 2.79Å; T115-S117 PolarHBondContact O-N 2.82Å; T115-S117 WeakPolarHBondContact OG1-CB 3.48Å; T115-S117 PolarHBondContact OG1-N 2.85Å; T115-S117 PolarHBondContact OG1-O 2.85Å |
| 118 | T | 90.6 | Very high | 82.4 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.5 | 177.5 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | A11 N12 V105 V106 | A11-T118 CarbonylContact C-O 3.58Å; A11-T118 WeakPolarHBondContact CA-O 3.46Å; A11-T118 WeakPolarHBondContact CB-O 3.31Å; N12-T118 PolarHBondContact N-O 2.64Å; N12-T118 PolarHBondContact ND2-OG1 2.9Å; N12-T118 PolarHBondContact O-N 2.79Å; V105-T118 CarbonylContact O-C 3.6Å; V105-T118 WeakPolarHBondContact O-CA 3.39Å; V106-T118 HydrophobicContact CG2-CG2 4.16Å |
| 119 | I | 94.5 | Very high | 80.6 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.8 | 170.8 | -170.5 | 157.7 | 0 | 0 | 0 | 110.4 | V8 A11 V27 W49 I70 V72 C104 V105 L107 | V8-I119 HydrophobicContact CG1-CD1 4.32Å; A11-I119 HydrophobicContact CB-CB 4.49Å; A11-I119 HydrophobicContact CB-CG1 4.48Å; V27-I119 HydrophobicContact CG1-CD1 4.01Å; V27-I119 HydrophobicContact CG2-CD1 3.77Å; W49-I119 HydrophobicContact CZ3-CD1 4.46Å; I70-I119 HydrophobicContact CG2-CD1 3.74Å; V72-I119 HydrophobicContact CG2-CD1 3.77Å; C104-I119 WeakPolarHBondContact CA-O 3.43Å; V105-I119 HydrophobicContact CG2-CG2 3.57Å; V105-I119 PolarHBondContact N-O 3Å; V105-I119 PolarHBondContact O-N 3.28Å; L107-I119 HydrophobicContact CD2-CB 4.19Å; L107-I119 HydrophobicContact CD2-CG2 3.69Å; L107-I119 HydrophobicContact CG-CB 4.35Å; L107-I119 HydrophobicContact CG-CG2 4.17Å |
| 120 | E | 93 | Very high | 78.4 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.9 | 175.6 | -74 | 178 | -142.8 | 0 | 0 | 109.9 | K9 K10 I103 C104 | K9-E120 WeakPolarHBondContact CA-O 3.42Å; K9-E120 HydrophobicContact CB-CB 4.44Å; K9-E120 WeakPolarHBondContact CB-O 3.24Å; K9-E120 PolarHBondContact N-O 3.4Å; K10-E120 WeakPolarHBondContact CE-OE1 3.28Å; K10-E120 WeakPolarHBondContact CE-OE2 3.45Å; K10-E120 HydrophobicContact CG-CB 4.06Å; K10-E120 PolarHBondContact N-O 2.71Å; K10-E120 IonicContact NZ-OE1 2.79Å; K10-E120 PolarHBondContact NZ-OE1 3Å; K10-E120 IonicContact NZ-OE2 3.59Å; K10-E120 PolarHBondContact O-N 2.86Å; I103-E120 CarbonylContact O-C 3.55Å; I103-E120 WeakPolarHBondContact O-CA 3.34Å; C104-E120 HydrophobicContact CB-CG 3.93Å; C104-E120 VanDerWaalsContact SG-CG 3.57Å |
| 121 | L | 94.3 | Very high | 76.3 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 166.6 | 176.9 | 57.1 | 94.4 | 0 | 0 | 0 | 111.1 | N7 I70 I89 P102 I103 L123 | N7-L121 CarbonylContact O-C 3.5Å; N7-L121 WeakPolarHBondContact O-CA 3.4Å; N7-L121 WeakPolarHBondContact O-CB 3.27Å; I70-L121 HydrophobicContact CD1-CD2 4.08Å; I70-L121 HydrophobicContact CG1-CD2 3.86Å; I70-L121 HydrophobicContact CG2-CD2 4.48Å; I89-L121 HydrophobicContact CD1-CD1 4.03Å; I89-L121 HydrophobicContact CD1-CD2 3.63Å; I89-L121 HydrophobicContact CD1-CG 4.25Å; P102-L121 CarbonylContact C-O 3.59Å; I103-L121 HydrophobicContact CB-CD1 3.9Å; I103-L121 HydrophobicContact CB-CG 4.3Å; I103-L121 HydrophobicContact CD1-CD1 4.35Å; I103-L121 HydrophobicContact CG1-CD1 4.44Å; I103-L121 HydrophobicContact CG2-CD1 4.42Å; I103-L121 PolarHBondContact N-O 2.84Å; I103-L121 PolarHBondContact O-N 3.47Å; I103-L121 VanDerWaalsContact O-O 3.07Å; L121-L123 HydrophobicContact CD1-CD1 4.47Å; L121-L123 HydrophobicContact CD1-CD2 3.7Å; L121-L123 HydrophobicContact CD1-CG 3.78Å |
| 122 | S | 91.1 | Very high | 74.4 | Confident | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.014 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.3 | 167.1 | 47.5 | 0 | 0 | 0 | 0 | 111.7 | N7 K9 E100 V101 | N7-S122 PolarHBondContact N-O 3.17Å; N7-S122 PolarHBondContact O-N 3.02Å; K9-S122 WeakPolarHBondContact CE-OG 3.46Å; E100-S122 WeakPolarHBondContact OE2-CB 3.42Å; E100-S122 PolarHBondContact OE2-OG 3.33Å; V101-S122 CarbonylContact O-C 3.52Å; V101-S122 VanDerWaalsContact O-CA 3.24Å; V101-S122 WeakPolarHBondContact O-CA 3.29Å |
| 123 | L | 92.5 | Very high | 72.2 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.4 | 179.5 | -60.9 | -175.6 | 0 | 0 | 0 | 110.5 | H5 V6 V68 I89 L91 V94 E100 V101 I103 L121 | H5-L123 CarbonylContact O-C 3.58Å; H5-L123 VanDerWaalsContact O-CA 3.31Å; H5-L123 WeakPolarHBondContact O-CA 3.38Å; V6-L123 HydrophobicContact CB-CD2 4.01Å; V6-L123 HydrophobicContact CG1-CD2 3.77Å; V6-L123 HydrophobicContact CG2-CD2 3.7Å; V68-L123 HydrophobicContact CG1-CD1 4.43Å; I89-L123 HydrophobicContact CG2-CD1 4.09Å; L91-L123 HydrophobicContact CD2-CD1 3.43Å; L91-L123 VanDerWaalsContact CD2-CD1 3.43Å; V94-L123 HydrophobicContact CG1-CB 4.22Å; V94-L123 HydrophobicContact CG2-CB 3.68Å; V94-L123 HydrophobicContact CG2-CD1 3.77Å; V94-L123 HydrophobicContact CG2-CG 4.4Å; E100-L123 CarbonylContact C-O 3.52Å; E100-L123 WeakPolarHBondContact CA-O 3.35Å; V101-L123 PolarHBondContact N-O 2.64Å; V101-L123 PolarHBondContact O-N 2.8Å; I103-L123 HydrophobicContact CD1-CD1 3.34Å; I103-L123 HydrophobicContact CD1-CG 3.75Å; L121-L123 HydrophobicContact CD1-CD1 4.47Å; L121-L123 HydrophobicContact CD1-CD2 3.7Å; L121-L123 HydrophobicContact CD1-CG 3.78Å |
| 124 | R | 87.2 | Confident | 70.2 | Confident | 108 Ų | 108 | 80.4 Ų | 80.4 | 41% | 0.408 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.9 | 171.4 | 174.9 | -179.4 | 177.9 | -160.7 | -4.6 | 110 | H5 E100 | H5-R124 HydrophobicContact CB-CB 4.1Å; H5-R124 WeakPolarHBondContact CB-O 3.19Å; H5-R124 PolarHBondContact N-O 2.87Å; H5-R124 PolarHBondContact O-N 3.16Å; E100-R124 HydrophobicContact CG-CB 3.74Å |
| 125 | Y | 87.8 | Confident | 67.6 | Low | 21 Ų | 21 | 80.7 Ų | 80.7 | 8% | 0.082 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.8 | 177.7 | -180 | -133.7 | 0 | 0 | 0 | 110.3 | Y2 A3 L57 P61 L62 L95 | Y2-Y125 HydrophobicContact CD1-CE2 4.08Å; Y2-Y125 AromaticContact CD1-CZ 3.67Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.47Å; Y2-Y125 WeakPolarHBondContact CE1-OH 3.25Å; A3-Y125 WeakPolarHBondContact O-CD2 3.49Å; L57-Y125 HydrophobicContact CD1-CD2 4.31Å; L57-Y125 HydrophobicContact CD1-CE2 3.57Å; P61-Y125 WeakPolarHBondContact CA-OH 3.45Å; L62-Y125 HydrophobicContact CB-CE1 4.49Å; L62-Y125 HydrophobicContact CB-CE2 4.36Å; L62-Y125 HydrophobicContact CD1-CD1 4.35Å; L62-Y125 HydrophobicContact CD1-CD2 3.51Å; L62-Y125 HydrophobicContact CD1-CE2 3.78Å; L62-Y125 HydrophobicContact CD1-CG 3.82Å; L62-Y125 HydrophobicContact CG-CD2 4.16Å; L62-Y125 HydrophobicContact CG-CE2 3.9Å; L62-Y125 PolarHBondContact N-OH 3.28Å; L62-Y125 VanDerWaalsContact N-OH 3.13Å; L95-Y125 HydrophobicContact CD2-CE1 4.44Å |
| 126 | E | 80.2 | Confident | 64.8 | Low | 87 Ų | 87 | 83.5 Ų | 83.5 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.7 | 175.7 | -170.1 | 179.1 | -164.7 | 0 | 0 | 109.9 | Y2 A3 H5 | Y2-E126 WeakPolarHBondContact CA-O 3.48Å; A3-E126 HydrophobicContact CB-CB 4.28Å; A3-E126 PolarHBondContact N-O 2.73Å; A3-E126 VanDerWaalsContact N-O 3.07Å; A3-E126 PolarHBondContact O-N 2.99Å; H5-E126 IonicContact NE2-OE2 2.83Å; H5-E126 PolarHBondContact NE2-OE2 3.43Å |
| 127 | F | 71.7 | Confident | 62.3 | Low | 106 Ų | 106 | 82.9 Ų | 82.9 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | trans | -105.2 | 148.4 | 172.9 | 47.8 | -89.3 | 0 | 0 | 0 | 110.4 | Y2 T98 Q129 | Y2-F127 HydrophobicContact CD1-CB 4.29Å; Y2-F127 HydrophobicContact CE1-CB 4.06Å; T98-F127 HydrophobicContact CG2-CE1 4.3Å; T98-F127 HydrophobicContact CG2-CZ 4.36Å; F127-Q129 PolarHBondContact O-N 2.86Å; F127-Q129 VanDerWaalsContact O-N 3.11Å | ||
| 128 | P | 62.4 | Low | 59.3 | Low | 54 Ų | 54 | 90.8 Ų | 90.8 | 35% | 0.351 | 49% | 0.489 | S | S | . | . | trans | -57.7 | 117.3 | 177.6 | -15.5 | 23.7 | 0 | 0 | 0 | 111.2 | Y2 T130 | Y2-P128 VanDerWaalsContact CD1-CD 3.41Å; Y2-P128 HydrophobicContact CD1-CG 4.27Å; Y2-P128 HydrophobicContact CD2-CG 4.01Å; Y2-P128 HydrophobicContact CE1-CG 4.12Å; Y2-P128 HydrophobicContact CE2-CG 3.85Å; Y2-P128 HydrophobicContact CG-CG 4.22Å; P128-T130 PolarHBondContact O-N 2.89Å | ||
| 129 | Q | 50.9 | Low | 56.2 | Low | 165 Ų | 165 | 95.3 Ų | 95.3 | 77% | 0.771 | 51% | 0.51 | S | S | * | . | trans | -68.5 | 125.4 | 167.6 | -67.3 | -167.1 | -1.3 | 0 | 0 | 109.2 | F127 T131 | F127-Q129 PolarHBondContact O-N 2.86Å; F127-Q129 VanDerWaalsContact O-N 3.11Å; Q129-T131 PolarHBondContact O-N 3.05Å; Q129-T131 PolarHBondContact O-OG1 2.85Å | ||
| 130 | T | 37.2 | Very low | 52.9 | Low | 147 Ų | 147 | 102.8 Ų | 102.8 | 90% | 0.902 | 55% | 0.545 | S | S | * | . | trans | -61.8 | 95.5 | 179.8 | 36.2 | 0 | 0 | 0 | 0 | 111.6 | P128 | P128-T130 PolarHBondContact O-N 2.89Š| ||
| 131 | T | 33.4 | Very low | 49.6 | Very low | 138 Ų | 138 | 109 Ų | 109 | 85% | 0.847 | 57% | 0.574 | S | S | * | * | trans | -92.6 | 123 | 164.9 | -5.9 | 0 | 0 | 0 | 0 | 109.8 | Q129 G133 | Q129-T131 PolarHBondContact O-N 3.05Å; Q129-T131 PolarHBondContact O-OG1 2.85Å; T131-G133 PolarHBondContact O-N 3Å | ||
| 132 | K | 27 | Very low | 46.4 | Very low | 205 Ų | 205 | 112.9 Ų | 112.9 | 89% | 0.891 | 61% | 0.614 | S | S | * | * | trans | -50.5 | 128.2 | 174.2 | -75.1 | 173.1 | 172.4 | 175.4 | 0 | 111.8 | ||||
| 133 | G | 26.7 | Very low | 43.1 | Very low | 70 Ų | 70 | 118.5 Ų | 118.5 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | trans | 61.6 | 110.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | T131 | T131-G133 PolarHBondContact O-N 3Š| ||
| 134 | L | 26.3 | Very low | 39.9 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 92% | 0.921 | 70% | 0.696 | S | S | * | * | trans | -154 | 142.4 | 141 | -101.7 | 157.4 | 0 | 0 | 0 | 109.3 | ||||
| 135 | T | 25.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | trans | -89.4 | 144.3 | -161.2 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 136 | S | 22.8 | Very low | 33.8 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 30.3 | 129.4 | 144.1 | 61.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 137 | N | 24 | Very low | 31.2 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 90.5 | 111.5 | 156.9 | -53.9 | -19.4 | 0 | 0 | 0 | 115.4 | ||||
| 138 | E | 26.5 | Very low | 28.8 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | 178.1 | 119.8 | 113.6 | -92.2 | 176.4 | 178.1 | 0 | 0 | 112.1 | |||||
| 139 | I | 25.1 | Very low | 27.1 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 67% | 0.667 | 80% | 0.804 | S | S | * | * | 75.3 | 102.4 | 127.1 | -56 | 168.3 | 0 | 0 | 0 | 120 | |||||
| 140 | E | 24.9 | Very low | 25.7 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 73% | 0.729 | 81% | 0.805 | S | S | * | * | 53.8 | 123 | 121.2 | -59 | -179.9 | 152.1 | 0 | 0 | 123.6 | |||||
| 141 | Q | 24 | Very low | 25 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | 59.4 | 115.3 | 127 | -62.7 | -177.5 | 2.8 | 0 | 0 | 120.7 | |||||
| 142 | G | 26.7 | Very low | 24.5 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -168.7 | 92.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 143 | S | 22.3 | Very low | 24.2 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -87.5 | 133.3 | 168.7 | 70.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 144 | V | 25.4 | Very low | 24.1 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -142.2 | 136.1 | 154.4 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 145 | S | 22.9 | Very low | 23.9 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | trans | -89.8 | 169.6 | -171.8 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 146 | D | 23.5 | Very low | 23.9 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | 73.6 | 108 | 151.1 | -51 | -38.6 | 0 | 0 | 0 | 120.2 | ||||
| 147 | K | 25.3 | Very low | 23.9 | Very low | 206 Ų | 206 | 129.2 Ų | 129.2 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | 172.6 | 141.9 | 96.8 | -90.2 | -175 | -178.9 | 179 | 0 | 112.2 | |||||
| 148 | V | 21.7 | Very low | 23.9 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 143.9 | 179.4 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 149 | D | 26.1 | Very low | 23.9 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -165.3 | 154.2 | 145.1 | -101.9 | -26.6 | 0 | 0 | 0 | 113 | ||||
| 150 | A | 23.1 | Very low | 24 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -83.8 | 151.5 | -153 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 151 | G | 21.3 | Very low | 24.1 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | 79 | 123.8 | 120.2 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 152 | G | 22.5 | Very low | 24.1 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 157.9 | 87.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 153 | A | 21.7 | Very low | 24 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | 41 | 111.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 154 | V | 24.1 | Very low | 24.1 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -116 | 126.1 | 170.6 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 155 | D | 22.6 | Very low | 24.2 | Very low | 138 Ų | 138 | 117.6 Ų | 117.6 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -100.4 | 153.5 | -178.3 | -155.9 | 1.1 | 0 | 0 | 0 | 110.9 | ||||
| 156 | V | 24.6 | Very low | 24.3 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -107.8 | 150.1 | -161.8 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 157 | G | 24.4 | Very low | 24.2 | Very low | 63 Ų | 63 | 120.3 Ų | 120.3 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | trans | 129.4 | 145.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 158 | L | 24 | Very low | 24.1 | Very low | 139 Ų | 139 | 116.3 Ų | 116.3 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | cis | -167.1 | 148.7 | -0.4 | -126.9 | 145 | 0 | 0 | 0 | 106.2 | ||||
| 159 | R | 26.1 | Very low | 24.3 | Very low | 236 Ų | 236 | 117.4 Ų | 117.4 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -97.8 | 152.3 | 174.8 | -88 | -177.4 | 168.5 | -156.1 | 0.5 | 111.5 | ||||
| 160 | G | 25.9 | Very low | 24.2 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 172.1 | 114.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 161 | S | 28.1 | Very low | 24.2 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 92 | 135.3 | 58.5 | 77.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 162 | G | 24.4 | Very low | 24.4 | Very low | 85 Ų | 85 | 125.1 Ų | 125.1 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | 123.5 | 140.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 163 | G | 24.9 | Very low | 24.5 | Very low | 60 Ų | 60 | 128.9 Ų | 128.9 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | cis | -172 | 156 | 8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 164 | T | 24.4 | Very low | 24.6 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | 88.1 | 134.8 | 104.9 | 57.4 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 165 | G | 25.9 | Very low | 24.6 | Very low | 61 Ų | 61 | 130.4 Ų | 130.4 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | 145.5 | 96.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 166 | T | 24.8 | Very low | 24.8 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | 68.3 | 139.3 | 91.8 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 167 | D | 23.1 | Very low | 25 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | cis | -177.4 | 168 | -7.7 | -129.7 | -26.2 | 0 | 0 | 0 | 106.6 | ||||
| 168 | V | 22.8 | Very low | 25.1 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 82.3 | 108.5 | 161.5 | -155 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 169 | N | 26.2 | Very low | 25.2 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | 176.6 | 136.8 | 100.8 | -122 | -21.8 | 0 | 0 | 0 | 113.1 | |||||
| 170 | E | 22.3 | Very low | 25.3 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -93.8 | 160.7 | -180 | -68 | 177.7 | 135 | 0 | 0 | 113.6 | ||||
| 171 | K | 23.2 | Very low | 25.2 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | 101.2 | 106 | 159.2 | -66.5 | -180 | 175.8 | 172.6 | 0 | 119.1 | ||||
| 172 | D | 27.1 | Very low | 25.2 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | 175.3 | 105.2 | 123.6 | -88 | -19.8 | 0 | 0 | 0 | 108.7 | |||||
| 173 | I | 25 | Very low | 25.4 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | 63.1 | 101.2 | 104.2 | -57.9 | 176.3 | 0 | 0 | 0 | 116 | |||||
| 174 | L | 22.8 | Very low | 25.5 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | 47.1 | 130.1 | 134.7 | -77.2 | 142.6 | 0 | 0 | 0 | 123.2 | ||||
| 175 | D | 23.6 | Very low | 25.8 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | 62.2 | 104.6 | 147.3 | -70 | -16 | 0 | 0 | 0 | 120.1 | ||||
| 176 | D | 27.5 | Very low | 25.9 | Very low | 136 Ų | 136 | 151.9 Ų | 151.9 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | -173.8 | 132.2 | 111.3 | -117.6 | -24.4 | 0 | 0 | 0 | 113.1 | |||||
| 177 | Q | 28.8 | Very low | 26 | Very low | 170 Ų | 170 | 153.9 Ų | 153.9 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 40.5 | 122.8 | 141.2 | -68.7 | 172.2 | 48.2 | 0 | 0 | 122.2 | G179 | Q177-G179 PolarHBondContact O-N 2.94Š| ||
| 178 | A | 25.4 | Very low | 26.3 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 98% | 0.975 | 81% | 0.814 | S | S | * | * | trans | -31.2 | 94.1 | 161 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 179 | G | 26.9 | Very low | 26.6 | Very low | 67 Ų | 67 | 147.8 Ų | 147.8 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -118.7 | 125.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q177 G181 | Q177-G179 PolarHBondContact O-N 2.94Å; G179-G181 PolarHBondContact O-N 2.97Å | ||
| 180 | A | 28.2 | Very low | 26.8 | Very low | 109 Ų | 109 | 148 Ų | 148 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -46.1 | 100.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K182 | A180-K182 PolarHBondContact O-N 3.03Š| ||
| 181 | G | 24.8 | Very low | 27.5 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -73.9 | 109 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G179 R183 | G179-G181 PolarHBondContact O-N 2.97Å; G181-R183 PolarHBondContact O-N 2.66Å | ||
| 182 | K | 28 | Very low | 28.3 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -41 | 128.5 | 170 | -74 | 165.5 | 173.1 | 169.9 | 0 | 112.1 | A180 I184 | A180-K182 PolarHBondContact O-N 3.03Å; K182-I184 PolarHBondContact O-N 3.07Å | ||
| 183 | R | 27.4 | Very low | 29.1 | Very low | 248 Ų | 248 | 141.6 Ų | 141.6 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | trans | -41.4 | 103.4 | 163 | -82.3 | 174.7 | 166.6 | 167.3 | -5.2 | 110.4 | G181 K185 | G181-R183 PolarHBondContact O-N 2.66Å; R183-K185 PolarHBondContact O-N 3.23Å | ||
| 184 | I | 27.2 | Very low | 30.5 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -68.5 | 118.7 | 165.4 | -65.9 | 174.4 | 0 | 0 | 0 | 106.2 | K182 K186 | K182-I184 PolarHBondContact O-N 3.07Å; I184-K186 PolarHBondContact O-N 3.18Å | ||
| 185 | K | 31.3 | Very low | 32.3 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -54.5 | 105.7 | 175.6 | -70.9 | 176.3 | 174.5 | 179.9 | 0 | 108.6 | R183 L187 | R183-K185 PolarHBondContact O-N 3.23Å; K185-L187 PolarHBondContact O-N 3.42Å | ||
| 186 | K | 28.5 | Very low | 34.5 | Very low | 210 Ų | 210 | 135.6 Ų | 135.6 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | trans | -57.2 | 110.3 | 167.2 | -97.4 | -177.2 | 172.6 | -179.7 | 0 | 107.9 | I184 G188 | I184-K186 PolarHBondContact O-N 3.18Å; K186-G188 PolarHBondContact O-N 3.11Å | ||
| 187 | L | 26 | Very low | 36.6 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | trans | -65.4 | 116.9 | 159.2 | -101 | 89.5 | 0 | 0 | 0 | 107.6 | K185 | K185-L187 PolarHBondContact O-N 3.42Š| ||
| 188 | G | 29 | Very low | 38.7 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | trans | -179.8 | 90.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 103.8 | K186 L190 | K186-G188 PolarHBondContact O-N 3.11Å; G188-L190 PolarHBondContact O-N 3.27Å | ||
| 189 | G | 28.7 | Very low | 40.9 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 72% | 0.722 | S | S | * | * | trans | -46.5 | 129 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A191 | G189-A191 VanDerWaalsContact C-N 3.29Å; G189-A191 PolarHBondContact O-N 2.82Å | ||
| 190 | L | 31.9 | Very low | 43.1 | Very low | 163 Ų | 163 | 130 Ų | 130 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | -51.5 | 103.1 | 167.5 | -87.2 | 89.1 | 0 | 0 | 0 | 106.1 | G188 V192 | G188-L190 PolarHBondContact O-N 3.27Å; L190-V192 PolarHBondContact O-N 3.32Å | ||
| 191 | A | 35.7 | Very low | 45.1 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | trans | -55.2 | 108.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 103 | G189 R193 | G189-A191 VanDerWaalsContact C-N 3.29Å; G189-A191 PolarHBondContact O-N 2.82Å; A191-R193 VanDerWaalsContact C-N 3.33Å; A191-R193 PolarHBondContact O-N 3.17Å | ||
| 192 | V | 39.7 | Very low | 47.1 | Very low | 122 Ų | 122 | 123 Ų | 123 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | trans | -52.8 | 106.9 | 175 | 175.4 | 0 | 0 | 0 | 0 | 104.2 | L190 | L190-V192 PolarHBondContact O-N 3.32Š| ||
| 193 | R | 45.5 | Very low | 49.5 | Very low | 167 Ų | 167 | 114 Ų | 114 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | trans | -46.1 | 129.7 | 171.2 | -93.1 | -175.6 | 170.6 | -159.4 | -9.3 | 105.2 | A191 Q195 D263 | A191-R193 VanDerWaalsContact C-N 3.33Å; A191-R193 PolarHBondContact O-N 3.17Å; R193-Q195 PolarHBondContact O-N 3.04Å; R193-D263 IonicContact CZ-OD1 2.95Å; R193-D263 IonicContact NH1-OD1 2.8Å; R193-D263 PolarHBondContact NH1-OD1 3.18Å; R193-D263 VanDerWaalsContact NH1-OD1 3.11Å; R193-D263 IonicContact NH1-OD2 3.32Å; R193-D263 PolarHBondContact NH1-OD2 3.04Å; R193-D263 IonicContact NH2-OD1 3.34Å; R193-D263 PolarHBondContact NH2-OD1 3.42Å | ||
| 194 | P | 53.6 | Low | 52.1 | Low | 66 Ų | 66 | 102.2 Ų | 102.2 | 43% | 0.429 | 55% | 0.553 | S | S | . | * | trans | -46.6 | 124.4 | 171.3 | -22.4 | 30.9 | 0 | 0 | 0 | 106.7 | Y196 | P194-Y196 HydrophobicContact CB-CD1 4.24Å; P194-Y196 HydrophobicContact CB-CE1 3.86Å; P194-Y196 HydrophobicContact CG-CE1 4.26Å; P194-Y196 PolarHBondContact O-N 2.95Å | ||
| 195 | Q | 60.6 | Low | 55 | Low | 191 Ų | 191 | 94.5 Ų | 94.5 | 89% | 0.893 | 51% | 0.514 | S | S | * | . | trans | -70 | 85.9 | 174.1 | -82.7 | -179.3 | -20.7 | 0 | 0 | 105.9 | R193 | R193-Q195 PolarHBondContact O-N 3.04Š| ||
| 196 | Y | 69.7 | Low | 57.6 | Low | 52 Ų | 52 | 86.7 Ų | 86.7 | 20% | 0.204 | 48% | 0.479 | C | S | . | . | trans | -60.9 | 149.4 | 172.1 | -55.8 | -65.7 | 0 | 0 | 0 | 108.4 | P194 T198 L262 E294 | P194-Y196 HydrophobicContact CB-CD1 4.24Å; P194-Y196 HydrophobicContact CB-CE1 3.86Å; P194-Y196 HydrophobicContact CG-CE1 4.26Å; P194-Y196 PolarHBondContact O-N 2.95Å; Y196-T198 PolarHBondContact O-N 2.9Å; Y196-T198 VanDerWaalsContact O-N 3.08Å; Y196-L262 HydrophobicContact CD1-CD1 3.82Å; Y196-L262 HydrophobicContact CD2-CD1 4.26Å; Y196-L262 HydrophobicContact CE1-CD1 3.97Å; Y196-L262 HydrophobicContact CE2-CD1 4.37Å; Y196-L262 HydrophobicContact CG-CD1 3.98Å; Y196-E294 VanDerWaalsContact OH-CD 3.31Å; Y196-E294 PolarHBondContact OH-OE1 3.24Å | ||
| 197 | S | 71 | Confident | 60.6 | Low | 52 Ų | 52 | 76.7 Ų | 76.7 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | trans | -53.3 | 120.4 | 177 | -176.4 | 0 | 0 | 0 | 0 | 110 | K199 Q201 A258 A259 | S197-K199 PolarHBondContact O-N 3.12Å; S197-K199 VanDerWaalsContact OG-CB 3.22Å; S197-K199 WeakPolarHBondContact OG-CB 3.5Å; S197-K199 PolarHBondContact OG-N 2.85Å; S197-Q201 PolarHBondContact OG-NE2 2.73Å; S197-A258 PolarHBondContact O-N 2.66Å; S197-A259 PolarHBondContact O-N 3.05Å | ||
| 198 | T | 73.4 | Confident | 63.7 | Low | 122 Ų | 122 | 69.3 Ų | 69.3 | 75% | 0.748 | 40% | 0.396 | S | S | * | . | trans | -77 | -0.1 | 168.7 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | Y196 S257 A259 | Y196-T198 PolarHBondContact O-N 2.9Å; Y196-T198 VanDerWaalsContact O-N 3.08Å; T198-S257 VanDerWaalsContact C-CB 3.48Å; T198-S257 WeakPolarHBondContact O-CB 3.4Å; T198-A259 HydrophobicContact CG2-CB 4.28Å | ||
| 199 | K | 72.7 | Confident | 66.7 | Low | 105 Ų | 105 | 66.3 Ų | 66.3 | 46% | 0.457 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -77.7 | 124.8 | 173.6 | -166.4 | -170.6 | 176 | -163 | 0 | 108.9 | S197 Q201 S257 H1882 | S197-K199 PolarHBondContact O-N 3.12Å; S197-K199 VanDerWaalsContact OG-CB 3.22Å; S197-K199 WeakPolarHBondContact OG-CB 3.5Å; S197-K199 PolarHBondContact OG-N 2.85Å; K199-Q201 PolarHBondContact O-NE2 2.88Å; K199-S257 WeakPolarHBondContact O-CA 3.37Å; K199-H1882 WeakPolarHBondContact CE-NE2 3.41Å |
| 200 | K | 73.2 | Confident | 69.6 | Low | 94 Ų | 94 | 62.7 Ų | 62.7 | 41% | 0.409 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 131.5 | 174.9 | -59.9 | -170.8 | 179.6 | -88.2 | 0 | 110.5 | F255 D256 E260 | K200-F255 HydrophobicContact CB-CD2 4.36Å; K200-F255 HydrophobicContact CB-CE1 4.28Å; K200-F255 HydrophobicContact CB-CE2 3.89Å; K200-F255 HydrophobicContact CB-CZ 3.84Å; K200-D256 WeakPolarHBondContact CA-O 3.42Å; K200-D256 IonicContact NZ-OD1 2.73Å; K200-D256 PolarHBondContact NZ-OD1 3.03Å; K200-E260 IonicContact NZ-OE2 3.08Å; K200-E260 PolarHBondContact NZ-OE2 3.33Å |
| 201 | Q | 68.5 | Low | 72.4 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.5 | -179.3 | -71.6 | 162.9 | 94.3 | 0 | 0 | 107.5 | S197 K199 F203 D256 P330 S1581 | S197-Q201 PolarHBondContact OG-NE2 2.73Å; K199-Q201 PolarHBondContact O-NE2 2.88Å; Q201-F203 HydrophobicContact CB-CE2 4.06Å; Q201-F203 HydrophobicContact CB-CZ 4.33Å; Q201-F203 WeakPolarHBondContact O-CD2 3.07Å; Q201-F203 WeakPolarHBondContact O-CE2 3.43Å; Q201-D256 CarbonylContact C-O 3.56Å; Q201-D256 PolarHBondContact N-O 3.04Å; Q201-D256 CarbonylContact O-C 3.47Å; Q201-D256 PolarHBondContact O-N 3.31Å; Q201-P330 HydrophobicContact CB-CG 4Å; Q201-P330 HydrophobicContact CG-CG 4.23Å; Q201-S1581 CarbonylContact C-O 3.51Å; Q201-S1581 VanDerWaalsContact C-O 3.27Å; Q201-S1581 WeakPolarHBondContact CA-O 3.37Å |
| 202 | D | 67.3 | Low | 74.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 156.4 | 170.8 | -45.2 | -15.1 | 0 | 0 | 0 | 112.3 | F254 F255 P330 P1577 S1581 G1582 L1583 L1608 | D202-F254 CarbonylContact C-O 3.42Å; D202-F254 WeakPolarHBondContact CA-O 3.48Å; D202-F254 WeakPolarHBondContact CB-O 3.4Å; D202-F255 WeakPolarHBondContact OD1-CA 3.31Å; D202-F255 WeakPolarHBondContact OD1-CB 3.49Å; D202-F255 WeakPolarHBondContact OD1-CD2 3.43Å; D202-F255 WeakPolarHBondContact OD1-CG 3.04Å; D202-P330 WeakPolarHBondContact O-CD 3.03Å; D202-P1577 HydrophobicContact CB-CB 4.49Å; D202-P1577 HydrophobicContact CB-CG 4.03Å; D202-S1581 PolarHBondContact N-O 2.58Å; D202-G1582 WeakPolarHBondContact CB-O 3.45Å; D202-L1583 WeakPolarHBondContact OD1-CD2 3.35Å; D202-L1583 WeakPolarHBondContact OD1-CG 3.44Å; D202-L1583 WeakPolarHBondContact OD2-CA 3.33Å; D202-L1583 WeakPolarHBondContact OD2-CD2 3.41Å; D202-L1583 WeakPolarHBondContact OD2-CG 3.29Å; D202-L1583 PolarHBondContact OD2-N 2.79Å; D202-L1583 VanDerWaalsContact OD2-N 3.17Å; D202-L1608 VanDerWaalsContact OD2-CD1 3.23Å; D202-L1608 WeakPolarHBondContact OD2-CD1 3.23Å; D202-L1608 WeakPolarHBondContact OD2-CG 3.29Å |
| 203 | F | 79.7 | Confident | 77.1 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 141 | 172.8 | -63.5 | -89.7 | 0 | 0 | 0 | 109 | Q201 N253 F254 A258 M261 Y293 I327 L328 | Q201-F203 HydrophobicContact CB-CE2 4.06Å; Q201-F203 HydrophobicContact CB-CZ 4.33Å; Q201-F203 WeakPolarHBondContact O-CD2 3.07Å; Q201-F203 WeakPolarHBondContact O-CE2 3.43Å; F203-N253 WeakPolarHBondContact O-CA 3.37Å; F203-F254 PolarHBondContact N-O 2.67Å; F203-F254 PolarHBondContact O-N 2.79Å; F203-A258 HydrophobicContact CE2-CB 4.35Å; F203-A258 HydrophobicContact CZ-CB 3.83Å; F203-M261 HydrophobicContact CB-CE 3.24Å; F203-M261 HydrophobicContact CD1-CE 3.56Å; F203-M261 HydrophobicContact CD2-CB 4.33Å; F203-M261 HydrophobicContact CD2-CE 3.75Å; F203-M261 HydrophobicContact CD2-CG 4.15Å; F203-M261 HydrophobicContact CE1-CE 4.32Å; F203-M261 HydrophobicContact CE2-CE 4.48Å; F203-M261 HydrophobicContact CG-CE 3.22Å; F203-Y293 HydrophobicContact CD1-CE2 4.19Å; F203-Y293 HydrophobicContact CE1-CD2 4.5Å; F203-Y293 AromaticContact CE1-CE2 3.75Å; F203-Y293 HydrophobicContact CE1-CE2 3.75Å; F203-I327 HydrophobicContact CB-CG2 4.4Å; F203-I327 HydrophobicContact CD1-CG2 4.07Å; F203-L328 CarbonylContact C-O 3.5Å; F203-L328 VanDerWaalsContact CA-O 3.28Å; F203-L328 WeakPolarHBondContact CA-O 3.45Å |
| 204 | Q | 81.4 | Confident | 78.7 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.9 | 164.8 | 168.4 | 166.9 | 82.8 | 0 | 0 | 110.3 | R206 F252 N253 I327 L328 Q1576 | Q204-R206 HydrophobicContact CG-CG 4.05Å; Q204-R206 VanDerWaalsContact OE1-CZ 3.31Å; Q204-F252 CarbonylContact C-O 3.4Å; Q204-F252 WeakPolarHBondContact CA-O 3.33Å; Q204-N253 WeakPolarHBondContact CB-OD1 3.44Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.36Å; Q204-N253 PolarHBondContact NE2-OD1 2.87Å; Q204-I327 CarbonylContact O-C 3.53Å; Q204-I327 WeakPolarHBondContact O-CA 3.23Å; Q204-L328 HydrophobicContact CB-CB 4.5Å; Q204-L328 PolarHBondContact N-O 2.8Å; Q204-L328 PolarHBondContact O-N 2.8Å; Q204-Q1576 VanDerWaalsContact CD-OE1 3.3Å; Q204-Q1576 VanDerWaalsContact NE2-CD 3.28Å |
| 205 | I | 87.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.8 | 173.9 | -58.5 | 150 | 0 | 0 | 0 | 108.9 | V207 F251 F252 F254 M261 L289 V325 V326 I327 | I205-V207 HydrophobicContact CG2-CG2 4.03Å; I205-F251 CarbonylContact O-C 3.27Å; I205-F251 WeakPolarHBondContact O-CA 3.28Å; I205-F252 HydrophobicContact CB-CB 4.36Å; I205-F252 PolarHBondContact N-O 2.92Å; I205-F252 PolarHBondContact O-N 3.49Å; I205-F254 HydrophobicContact CD1-CD2 3.66Å; I205-F254 HydrophobicContact CD1-CE2 3.64Å; I205-M261 HydrophobicContact CD1-CE 4.43Å; I205-M261 HydrophobicContact CD1-SD 4.37Å; I205-L289 HydrophobicContact CD1-CD1 3.48Å; I205-L289 VanDerWaalsContact CD1-CD1 3.48Å; I205-L289 HydrophobicContact CD1-CD2 3.71Å; I205-L289 HydrophobicContact CD1-CG 4.23Å; I205-L289 HydrophobicContact CG1-CD2 4.16Å; I205-L289 HydrophobicContact CG2-CD2 4.16Å; I205-V325 HydrophobicContact CG2-CG1 3.86Å; I205-V326 CarbonylContact C-O 3.57Å; I205-V326 WeakPolarHBondContact CA-O 3.5Å; I205-I327 HydrophobicContact CG1-CD1 4.41Å; I205-I327 HydrophobicContact CG1-CG1 4.03Å; I205-I327 HydrophobicContact CG1-CG2 4.33Å |
| 206 | R | 86.7 | Confident | 80.9 | Confident | 24 Ų | 24 | 29.5 Ų | 29.5 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132.7 | 176.2 | -47.9 | -175.2 | 169.2 | -159.3 | -8.3 | 108.9 | Q204 F250 F251 V325 V326 | Q204-R206 HydrophobicContact CG-CG 4.05Å; Q204-R206 VanDerWaalsContact OE1-CZ 3.31Å; R206-F250 CarbonylContact C-O 3.54Å; R206-F250 WeakPolarHBondContact CA-O 3.07Å; R206-F251 HydrophobicContact CB-CD1 4.22Å; R206-F251 HydrophobicContact CB-CE1 4.13Å; R206-F251 HydrophobicContact CG-CD1 3.73Å; R206-F251 HydrophobicContact CG-CE1 3.73Å; R206-V325 CarbonylContact O-C 3.52Å; R206-V325 WeakPolarHBondContact O-CA 3.25Å; R206-V326 HydrophobicContact CB-CB 4.18Å; R206-V326 HydrophobicContact CG-CB 4.46Å; R206-V326 PolarHBondContact N-O 2.74Å; R206-V326 PolarHBondContact O-N 2.7Å |
| 207 | V | 91.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 116.7 | -176.7 | -178.1 | 0 | 0 | 0 | 0 | 110 | I205 I226 T249 F250 F252 L266 F268 S324 V325 | I205-V207 HydrophobicContact CG2-CG2 4.03Å; V207-I226 HydrophobicContact CB-CG2 4.42Å; V207-I226 HydrophobicContact CG1-CG1 4.24Å; V207-I226 HydrophobicContact CG1-CG2 4Å; V207-I226 HydrophobicContact CG2-CG2 4.39Å; V207-T249 CarbonylContact O-C 3.55Å; V207-T249 WeakPolarHBondContact O-CA 3.5Å; V207-F250 HydrophobicContact CB-CB 4.49Å; V207-F250 PolarHBondContact N-O 3.21Å; V207-F250 PolarHBondContact O-N 3.13Å; V207-F252 HydrophobicContact CB-CE2 4.46Å; V207-F252 HydrophobicContact CG2-CD2 4.19Å; V207-F252 HydrophobicContact CG2-CE2 3.99Å; V207-L266 HydrophobicContact CG2-CD1 4.15Å; V207-L266 HydrophobicContact CG2-CD2 3.81Å; V207-F268 HydrophobicContact CG1-CE1 3.35Å; V207-F268 HydrophobicContact CG1-CZ 3.5Å; V207-F268 VanDerWaalsContact CG1-CZ 3.5Å; V207-S324 CarbonylContact C-O 3.5Å; V207-S324 WeakPolarHBondContact CA-O 3.5Å; V207-V325 HydrophobicContact CG1-CG2 4.43Å; V207-V325 HydrophobicContact CG2-CG1 4.24Å; V207-V325 HydrophobicContact CG2-CG2 4.36Å |
| 208 | K | 90.9 | Very high | 80.5 | Confident | 23 Ų | 23 | 28 Ų | 28 | 10% | 0.1 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.2 | 173.4 | -172.7 | 175.9 | -172.2 | -168.5 | 0 | 110.5 | I210 D247 Q248 T249 I323 S324 M337 | K208-I210 HydrophobicContact CD-CG1 4.39Å; K208-I210 HydrophobicContact CG-CG1 4.19Å; K208-D247 WeakPolarHBondContact CE-OD1 3.48Å; K208-D247 IonicContact NZ-OD1 2.88Å; K208-D247 PolarHBondContact NZ-OD1 2.84Å; K208-D247 IonicContact NZ-OD2 3.6Å; K208-Q248 CarbonylContact C-O 3.56Å; K208-Q248 VanDerWaalsContact CA-O 3.25Å; K208-Q248 WeakPolarHBondContact CA-O 3.22Å; K208-Q248 WeakPolarHBondContact CG-O 3.21Å; K208-T249 HydrophobicContact CB-CG2 4.32Å; K208-T249 WeakPolarHBondContact CG-OG1 3.41Å; K208-I323 CarbonylContact O-C 3.6Å; K208-I323 WeakPolarHBondContact O-CA 3.37Å; K208-I323 WeakPolarHBondContact O-CB 3.35Å; K208-S324 PolarHBondContact N-O 3Å; K208-S324 PolarHBondContact O-N 3.3Å; K208-M337 HydrophobicContact CB-CE 3.36Å; K208-M337 HydrophobicContact CD-CE 4.12Å; K208-M337 HydrophobicContact CG-CE 4.36Å |
| 209 | V | 92.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115 | 174 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | C224 I226 T235 W246 D247 Q248 F250 F268 L321 | V209-C224 HydrophobicContact CG1-CB 4.26Å; V209-I226 HydrophobicContact CG2-CD1 3.86Å; V209-I226 HydrophobicContact CG2-CG1 4Å; V209-T235 HydrophobicContact CB-CG2 4.03Å; V209-T235 HydrophobicContact CG1-CG2 4.06Å; V209-T235 HydrophobicContact CG2-CG2 4.31Å; V209-W246 HydrophobicContact CG1-CD2 4.4Å; V209-W246 HydrophobicContact CG1-CE3 3.74Å; V209-W246 HydrophobicContact CG1-CZ3 4.15Å; V209-D247 CarbonylContact O-C 3.49Å; V209-D247 WeakPolarHBondContact O-CA 3.31Å; V209-D247 PolarHBondContact O-N 2.76Å; V209-Q248 PolarHBondContact N-O 2.87Å; V209-Q248 PolarHBondContact O-N 2.78Å; V209-F250 HydrophobicContact CG2-CD2 4.42Å; V209-F250 HydrophobicContact CG2-CE2 4.11Å; V209-F268 HydrophobicContact CG2-CE1 4.44Å; V209-L321 HydrophobicContact CG1-CD1 3.85Å; V209-L321 HydrophobicContact CG1-CG 4.5Å |
| 210 | I | 89.1 | Confident | 80.3 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -65.6 | -170.1 | -55.8 | 171.3 | 0 | 0 | 0 | 109.9 | K208 F245 W246 D247 N302 K322 | K208-I210 HydrophobicContact CD-CG1 4.39Å; K208-I210 HydrophobicContact CG-CG1 4.19Å; I210-F245 HydrophobicContact CG2-CE2 3.99Å; I210-W246 PolarHBondContact O-N 2.74Å; I210-D247 PolarHBondContact O-N 2.85Å; I210-N302 VanDerWaalsContact CD1-OD1 3.27Å; I210-N302 WeakPolarHBondContact CD1-OD1 3.37Å; I210-K322 HydrophobicContact CB-CB 4.31Å; I210-K322 HydrophobicContact CB-CD 4.3Å; I210-K322 HydrophobicContact CB-CG 4.42Å; I210-K322 HydrophobicContact CD1-CD 4.31Å; I210-K322 HydrophobicContact CD1-CG 4.25Å; I210-K322 HydrophobicContact CG2-CD 4.26Å; I210-K322 PolarHBondContact N-O 3.3Å |
| 211 | E | 90.3 | Very high | 80.6 | Confident | 31 Ų | 31 | 14.1 Ų | 14.1 | 15% | 0.145 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163.8 | -177.7 | 61.3 | 175.5 | 179.5 | 0 | 0 | 111 | R213 P244 F245 W304 K322 | E211-R213 IonicContact OE1-CZ 2.91Å; E211-R213 IonicContact OE1-NE 2.69Å; E211-R213 PolarHBondContact OE1-NE 2.76Å; E211-R213 IonicContact OE1-NH2 3.64Å; E211-R213 PolarHBondContact OE1-NH2 2.96Å; E211-P244 CarbonylContact C-O 3.57Å; E211-P244 WeakPolarHBondContact CA-O 3.43Å; E211-P244 VanDerWaalsContact CB-O 3.31Å; E211-P244 WeakPolarHBondContact CB-O 3.17Å; E211-F245 HydrophobicContact CB-CB 4.44Å; E211-F245 HydrophobicContact CB-CD2 3.82Å; E211-W304 HydrophobicContact CG-CH2 3.7Å; E211-W304 HydrophobicContact CG-CZ2 4.32Å; E211-W304 HydrophobicContact CG-CZ3 4.45Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.42Å; E211-W304 WeakPolarHBondContact OE1-CZ2 3.11Å; E211-K322 HydrophobicContact CG-CB 3.85Å; E211-K322 HydrophobicContact CG-CD 3.86Å; E211-K322 WeakPolarHBondContact O-CB 3.45Å; E211-K322 PolarHBondContact O-N 2.78Å; E211-K322 IonicContact OE1-NZ 3.36Å |
| 212 | A | 89.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 159.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L215 S243 P244 W246 Y320 L321 | A212-L215 HydrophobicContact CB-CD1 3.91Å; A212-L215 HydrophobicContact CB-CD2 3.9Å; A212-L215 HydrophobicContact CB-CG 3.89Å; A212-S243 CarbonylContact O-C 3.55Å; A212-S243 WeakPolarHBondContact O-CA 2.93Å; A212-P244 HydrophobicContact CB-CG 3.79Å; A212-P244 PolarHBondContact N-O 3.1Å; A212-W246 HydrophobicContact CB-CH2 4.09Å; A212-W246 HydrophobicContact CB-CZ3 3.77Å; A212-Y320 CarbonylContact C-O 3.6Å; A212-Y320 WeakPolarHBondContact CA-O 3.36Å; A212-Y320 WeakPolarHBondContact CB-O 3.42Å; A212-L321 HydrophobicContact CB-CD1 3.92Å |
| 213 | R | 84.8 | Confident | 82.6 | Confident | 24 Ų | 24 | 13.8 Ų | 13.8 | 9% | 0.091 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.9 | 177.7 | -68.9 | 178.8 | -170.3 | 170.7 | 5.3 | 109.8 | E211 L215 W304 Y320 D347 | E211-R213 IonicContact OE1-CZ 2.91Å; E211-R213 IonicContact OE1-NE 2.69Å; E211-R213 PolarHBondContact OE1-NE 2.76Å; E211-R213 IonicContact OE1-NH2 3.64Å; E211-R213 PolarHBondContact OE1-NH2 2.96Å; R213-L215 PolarHBondContact O-N 3.05Å; R213-L215 VanDerWaalsContact O-N 3.14Å; R213-W304 HydrophobicContact CB-CH2 4.32Å; R213-W304 HydrophobicContact CB-CZ3 4.26Å; R213-W304 VanDerWaalsContact CD-CH2 3.4Å; R213-W304 HydrophobicContact CG-CH2 3.62Å; R213-W304 HydrophobicContact CG-CZ3 4.04Å; R213-W304 VanDerWaalsContact NE-CH2 3.28Å; R213-Y320 PolarHBondContact N-O 3.11Å; R213-Y320 PolarHBondContact O-N 2.88Å; R213-D347 IonicContact CZ-OD1 2.76Å; R213-D347 IonicContact NH1-OD1 3.16Å; R213-D347 PolarHBondContact NH1-OD1 2.93Å; R213-D347 IonicContact NH1-OD2 2.78Å; R213-D347 PolarHBondContact NH1-OD2 2.92Å; R213-D347 IonicContact NH2-OD1 3.75Å |
| 214 | Q | 79 | Confident | 83.3 | Confident | 27 Ų | 27 | 13.7 Ų | 13.7 | 13% | 0.126 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 53.3 | 36.5 | 173.3 | -54.8 | 171.9 | 20.8 | 0 | 0 | 112.7 | Q216 N242 G319 Y320 S438 | Q214-Q216 PolarHBondContact O-N 3.15Å; Q214-N242 PolarHBondContact N-O 3.05Å; Q214-G319 WeakPolarHBondContact O-CA 3.39Å; Q214-Y320 HydrophobicContact CB-CD2 4.3Å; Q214-S438 PolarHBondContact NE2-O 3.08Å; Q214-S438 PolarHBondContact OE1-O 3.19Å |
| 215 | L | 84.1 | Confident | 83.8 | Confident | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | trans | -60.9 | 133.8 | 172.3 | -66.5 | 179.9 | 0 | 0 | 0 | 109.2 | A212 R213 G217 I220 P222 N242 P244 V270 I282 L307 | A212-L215 HydrophobicContact CB-CD1 3.91Å; A212-L215 HydrophobicContact CB-CD2 3.9Å; A212-L215 HydrophobicContact CB-CG 3.89Å; R213-L215 PolarHBondContact O-N 3.05Å; R213-L215 VanDerWaalsContact O-N 3.14Å; L215-G217 PolarHBondContact O-N 3.26Å; L215-I220 HydrophobicContact CB-CD1 3.67Å; L215-I220 HydrophobicContact CD1-CD1 4.15Å; L215-P222 HydrophobicContact CD1-CB 3.54Å; L215-P222 HydrophobicContact CD1-CG 3.88Å; L215-N242 HydrophobicContact CB-CB 4.43Å; L215-N242 WeakPolarHBondContact CB-O 3.35Å; L215-N242 WeakPolarHBondContact CG-O 3.28Å; L215-N242 PolarHBondContact N-O 3.38Å; L215-N242 WeakPolarHBondContact O-CB 3.06Å; L215-P244 HydrophobicContact CD1-CG 3.82Å; L215-V270 HydrophobicContact CD1-CG1 3.99Å; L215-V270 HydrophobicContact CD2-CG1 4.18Å; L215-I282 HydrophobicContact CB-CG2 4.31Å; L215-I282 HydrophobicContact CD2-CG2 4.37Å; L215-L307 HydrophobicContact CD2-CD1 3.65Å | ||
| 216 | Q | 76.8 | Confident | 84.1 | Confident | 19 Ų | 19 | 16.8 Ų | 16.8 | 9% | 0.089 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -68.9 | 133.6 | -179.7 | -171.7 | 172.1 | 22.8 | 0 | 0 | 111.5 | Q214 I282 K318 F472 D474 | Q214-Q216 PolarHBondContact O-N 3.15Å; Q216-I282 HydrophobicContact CB-CG2 4.43Å; Q216-K318 PolarHBondContact N-O 3.28Å; Q216-K318 VanDerWaalsContact N-O 3.12Å; Q216-F472 HydrophobicContact CB-CD1 4.28Å; Q216-F472 HydrophobicContact CG-CD1 4Å; Q216-F472 HydrophobicContact CG-CE1 4.42Å; Q216-D474 PolarHBondContact NE2-OD1 2.84Å; Q216-D474 PolarHBondContact NE2-OD2 2.87Å |
| 217 | G | 69.5 | Low | 84.3 | Confident | 25 Ų | 25 | 17.2 Ų | 17.2 | 26% | 0.258 | 10% | 0.097 | S | C | . | . | S | Bend | trans | 125.6 | 151.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L215 | L215-G217 PolarHBondContact O-N 3.26Š|
| 218 | A | 62.6 | Low | 84.1 | Confident | 46 Ų | 46 | 17.2 Ų | 17.2 | 38% | 0.38 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -98.6 | 135.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I220 | A218-I220 VanDerWaalsContact C-N 3.3Å; A218-I220 PolarHBondContact O-N 2.67Å |
| 219 | N | 66.2 | Low | 83.5 | Confident | 26 Ų | 26 | 20.4 Ų | 20.4 | 14% | 0.139 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 57.3 | 35.6 | 175 | -160 | 15.9 | 0 | 0 | 0 | 114.8 | R274 Q722 | N219-R274 PolarHBondContact O-NH1 2.85Å; N219-R274 PolarHBondContact OD1-NH1 3Å; N219-Q722 PolarHBondContact ND2-OE1 3.46Å |
| 220 | I | 75.3 | Confident | 82.8 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | trans | -78.2 | 157.2 | 179.4 | 56.4 | 162.9 | 0 | 0 | 0 | 112.5 | L215 A218 P222 C240 T241 D272 I282 | L215-I220 HydrophobicContact CB-CD1 3.67Å; L215-I220 HydrophobicContact CD1-CD1 4.15Å; A218-I220 VanDerWaalsContact C-N 3.3Å; A218-I220 PolarHBondContact O-N 2.67Å; I220-P222 WeakPolarHBondContact O-CD 3.29Å; I220-C240 CarbonylContact O-C 3.54Å; I220-C240 WeakPolarHBondContact O-CA 3.4Å; I220-C240 PolarHBondContact O-N 2.83Å; I220-T241 WeakPolarHBondContact CG1-O 3.5Å; I220-T241 PolarHBondContact O-N 3.47Å; I220-D272 HydrophobicContact CB-CB 4.28Å; I220-D272 HydrophobicContact CG2-CB 4.21Å; I220-I282 HydrophobicContact CD1-CD1 3.53Å | ||
| 221 | S | 80.7 | Confident | 82.4 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | trans | -118.4 | 82.4 | 171.9 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | R238 N239 C240 D272 S273 R274 | S221-R238 CarbonylContact C-O 3.6Å; S221-R238 WeakPolarHBondContact CA-O 3.23Å; S221-R238 WeakPolarHBondContact CB-O 3.49Å; S221-N239 WeakPolarHBondContact OG-CA 3.41Å; S221-C240 PolarHBondContact OG-N 2.93Å; S221-D272 PolarHBondContact N-OD1 3.26Å; S221-S273 WeakPolarHBondContact CB-OG 3.44Å; S221-S273 WeakPolarHBondContact O-CB 3.31Å; S221-S273 PolarHBondContact O-N 3.44Å; S221-S273 PolarHBondContact O-OG 3.09Å; S221-R274 WeakPolarHBondContact OG-CD 3.15Å; S221-R274 PolarHBondContact OG-NE 2.85Å | ||
| 222 | P | 88.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 144.3 | -167.5 | 25.8 | -37.2 | 0 | 0 | 0 | 115.5 | L215 I220 R238 T241 P244 W246 V270 Y271 | L215-P222 HydrophobicContact CD1-CB 3.54Å; L215-P222 HydrophobicContact CD1-CG 3.88Å; I220-P222 WeakPolarHBondContact O-CD 3.29Å; P222-R238 WeakPolarHBondContact CD-O 3.22Å; P222-R238 HydrophobicContact CG-CB 4.41Å; P222-R238 VanDerWaalsContact N-O 3.13Å; P222-R238 PolarHBondContact O-N 3.45Å; P222-T241 VanDerWaalsContact CD-O 3.23Å; P222-T241 WeakPolarHBondContact CD-O 3.19Å; P222-T241 HydrophobicContact CG-CG2 4.32Å; P222-T241 WeakPolarHBondContact CG-O 3.3Å; P222-P244 HydrophobicContact CB-CG 4.07Å; P222-P244 HydrophobicContact CG-CB 3.68Å; P222-P244 HydrophobicContact CG-CG 3.47Å; P222-P244 VanDerWaalsContact CG-CG 3.47Å; P222-W246 HydrophobicContact CB-CH2 4.3Å; P222-W246 HydrophobicContact CB-CZ2 4.02Å; P222-W246 HydrophobicContact CG-CZ2 4.37Å; P222-V270 HydrophobicContact CB-CG1 4.08Å; P222-Y271 CarbonylContact C-O 3.47Å; P222-Y271 VanDerWaalsContact CA-O 3.25Å; P222-Y271 WeakPolarHBondContact CA-O 3.3Å |
| 223 | I | 89.8 | Confident | 82 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 16% | 0.164 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.4 | 169.6 | -175.6 | 169.9 | 0 | 0 | 0 | 109.7 | D234 T235 V237 V270 Y271 | I223-D234 HydrophobicContact CD1-CB 4.17Å; I223-T235 VanDerWaalsContact CD1-O 3.22Å; I223-T235 WeakPolarHBondContact CD1-O 3.44Å; I223-T235 VanDerWaalsContact CG1-O 3.25Å; I223-T235 WeakPolarHBondContact CG1-O 3.4Å; I223-V237 HydrophobicContact CB-CG2 4.25Å; I223-V237 HydrophobicContact CD1-CG2 4.09Å; I223-V270 CarbonylContact O-C 3.56Å; I223-V270 VanDerWaalsContact O-CA 3.31Å; I223-V270 WeakPolarHBondContact O-CA 3.21Å; I223-Y271 PolarHBondContact N-O 2.95Å; I223-Y271 PolarHBondContact O-N 2.93Å |
| 224 | C | 92.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.9 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 111 | V209 D234 T235 W246 T269 V270 | V209-C224 HydrophobicContact CG1-CB 4.26Å; C224-D234 CarbonylContact O-C 3.56Å; C224-D234 WeakPolarHBondContact O-CA 3.37Å; C224-T235 HydrophobicContact CB-CG2 3.87Å; C224-T235 PolarHBondContact N-OG1 3.35Å; C224-T235 PolarHBondContact O-N 3.21Å; C224-W246 HydrophobicContact CB-CH2 4.32Å; C224-W246 HydrophobicContact CB-CZ2 4.5Å; C224-T269 CarbonylContact C-O 3.58Å; C224-T269 WeakPolarHBondContact CA-O 3.31Å; C224-V270 HydrophobicContact CB-CG2 4.32Å |
| 225 | K | 93.1 | Very high | 82.7 | Confident | 65 Ų | 65 | 39.1 Ų | 39.1 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.8 | 171.4 | 173.9 | 165.4 | -74.7 | 179.2 | 0 | 110 | K233 D234 F268 T269 Y271 | K225-K233 CarbonylContact C-O 3.48Å; K225-K233 WeakPolarHBondContact CA-O 3.36Å; K225-D234 WeakPolarHBondContact CA-OD1 3.09Å; K225-D234 WeakPolarHBondContact CB-OD1 3.35Å; K225-D234 VanDerWaalsContact CE-CG 3.45Å; K225-D234 WeakPolarHBondContact CE-OD1 3.48Å; K225-D234 VanDerWaalsContact CE-OD2 3.28Å; K225-D234 WeakPolarHBondContact CE-OD2 3.48Å; K225-D234 WeakPolarHBondContact CG-OD1 3.38Å; K225-D234 IonicContact NZ-OD2 3.15Å; K225-F268 CarbonylContact O-C 3.59Å; K225-F268 WeakPolarHBondContact O-CA 3.25Å; K225-T269 PolarHBondContact N-O 2.85Å; K225-T269 PolarHBondContact O-N 3.5Å; K225-Y271 HydrophobicContact CB-CD2 4.41Å; K225-Y271 HydrophobicContact CB-CE2 3.89Å; K225-Y271 HydrophobicContact CD-CE2 4.27Å |
| 226 | I | 93.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.8 | 176.1 | -51.6 | 84.9 | 0 | 0 | 0 | 107.3 | V207 V209 S232 K233 F250 F252 L266 V267 F268 | V207-I226 HydrophobicContact CB-CG2 4.42Å; V207-I226 HydrophobicContact CG1-CG1 4.24Å; V207-I226 HydrophobicContact CG1-CG2 4Å; V207-I226 HydrophobicContact CG2-CG2 4.39Å; V209-I226 HydrophobicContact CG2-CD1 3.86Å; V209-I226 HydrophobicContact CG2-CG1 4Å; I226-S232 CarbonylContact O-C 3.58Å; I226-S232 WeakPolarHBondContact O-CA 3.42Å; I226-K233 WeakPolarHBondContact CD1-O 3.23Å; I226-K233 PolarHBondContact N-O 3.37Å; I226-K233 PolarHBondContact O-N 2.88Å; I226-F250 HydrophobicContact CD1-CD2 3.41Å; I226-F250 VanDerWaalsContact CD1-CD2 3.41Å; I226-F250 HydrophobicContact CD1-CE1 4.48Å; I226-F250 HydrophobicContact CD1-CE2 3.28Å; I226-F250 HydrophobicContact CD1-CG 4.11Å; I226-F250 HydrophobicContact CD1-CZ 3.85Å; I226-F250 HydrophobicContact CG1-CD2 4.15Å; I226-F250 HydrophobicContact CG1-CE2 4.41Å; I226-F252 HydrophobicContact CB-CE2 4.48Å; I226-F252 HydrophobicContact CB-CZ 4.15Å; I226-F252 HydrophobicContact CG2-CE2 3.77Å; I226-F252 HydrophobicContact CG2-CZ 3.77Å; I226-L266 HydrophobicContact CG2-CD1 3.95Å; I226-V267 CarbonylContact C-O 3.54Å; I226-V267 WeakPolarHBondContact CA-O 3.22Å; I226-F268 HydrophobicContact CG1-CD1 3.92Å; I226-F268 HydrophobicContact CG1-CE1 3.93Å; I226-F268 HydrophobicContact CG2-CD1 4.31Å; I226-F268 HydrophobicContact CG2-CE1 4Å; I226-F268 HydrophobicContact CG2-CZ 4.33Å |
| 227 | T | 90.7 | Very high | 82.8 | Confident | 33 Ų | 33 | 50.3 Ų | 50.3 | 20% | 0.202 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.9 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | E231 S232 V267 | T227-E231 CarbonylContact C-O 3.5Å; T227-E231 WeakPolarHBondContact CA-O 3.36Å; T227-E231 WeakPolarHBondContact CG2-O 3.47Å; T227-S232 WeakPolarHBondContact CB-OG 3.27Å; T227-S232 WeakPolarHBondContact CG2-OG 3.27Å; T227-S232 PolarHBondContact OG1-OG 3.01Å; T227-V267 PolarHBondContact N-O 2.82Å; T227-V267 PolarHBondContact O-N 3.4Å |
| 228 | C | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.8 | 172.1 | -162.7 | 0 | 0 | 0 | 0 | 108.1 | K230 E231 F252 F254 L266 | C228-K230 PolarHBondContact O-N 3.08Å; C228-E231 PolarHBondContact N-O 3.18Å; C228-E231 PolarHBondContact O-N 2.81Å; C228-F252 HydrophobicContact CB-CB 4.02Å; C228-F252 HydrophobicContact CB-CD1 3.47Å; C228-F252 VanDerWaalsContact CB-CD1 3.47Å; C228-F252 HydrophobicContact CB-CD2 3.75Å; C228-F252 HydrophobicContact CB-CE1 3.72Å; C228-F252 HydrophobicContact CB-CE2 4.02Å; C228-F252 HydrophobicContact CB-CG 3.47Å; C228-F252 VanDerWaalsContact CB-CG 3.47Å; C228-F252 HydrophobicContact CB-CZ 4Å; C228-F254 HydrophobicContact CB-CE2 4.23Å; C228-F254 HydrophobicContact CB-CZ 4.14Å; C228-F254 VanDerWaalsContact SG-CE2 3.51Å; C228-L266 HydrophobicContact CB-CD1 3.46Å; C228-L266 VanDerWaalsContact CB-CD1 3.46Å |
| 229 | W | 79.4 | Confident | 83.5 | Confident | 91 Ų | 91 | 56.4 Ų | 56.4 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -106.4 | -175.8 | -159.7 | 10.1 | 0 | 0 | 0 | 113.2 | F254 Q264 Q265 | W229-F254 HydrophobicContact CB-CE1 4.04Å; W229-F254 HydrophobicContact CB-CZ 3.88Å; W229-F254 HydrophobicContact CD2-CD1 4.4Å; W229-F254 HydrophobicContact CD2-CE1 4.32Å; W229-F254 HydrophobicContact CE3-CB 4.3Å; W229-F254 AromaticContact CE3-CD1 3.24Å; W229-F254 HydrophobicContact CE3-CD1 3.24Å; W229-F254 HydrophobicContact CE3-CD2 4.39Å; W229-F254 AromaticContact CE3-CE1 3.51Å; W229-F254 HydrophobicContact CE3-CE1 3.51Å; W229-F254 AromaticContact CE3-CG 3.72Å; W229-F254 HydrophobicContact CE3-CG 3.72Å; W229-F254 HydrophobicContact CE3-CZ 4.2Å; W229-F254 HydrophobicContact CZ3-CB 4.03Å; W229-F254 AromaticContact CZ3-CD1 3.63Å; W229-F254 HydrophobicContact CZ3-CD1 3.63Å; W229-F254 HydrophobicContact CZ3-CE1 4.33Å; W229-F254 AromaticContact CZ3-CG 3.95Å; W229-F254 HydrophobicContact CZ3-CG 3.95Å; W229-Q264 VanDerWaalsContact CD1-OE1 3.23Å; W229-Q264 HydrophobicContact CD2-CG 4.15Å; W229-Q264 HydrophobicContact CG-CG 4.26Å; W229-Q264 VanDerWaalsContact NE1-OE1 3.16Å; W229-Q265 PolarHBondContact N-O 2.81Å |
| 230 | K | 75.7 | Confident | 83.5 | Confident | 190 Ų | 190 | 55.8 Ų | 55.8 | 83% | 0.826 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -6.3 | 177.6 | -66 | -178.3 | -176.8 | 172.5 | 0 | 114.2 | C228 | C228-K230 PolarHBondContact O-N 3.08Š|
| 231 | E | 81.5 | Confident | 83.4 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 150.2 | -175.7 | -69.2 | -175.9 | -172 | 0 | 0 | 112.1 | T227 C228 F252 | T227-E231 CarbonylContact C-O 3.5Å; T227-E231 WeakPolarHBondContact CA-O 3.36Å; T227-E231 WeakPolarHBondContact CG2-O 3.47Å; C228-E231 PolarHBondContact N-O 3.18Å; C228-E231 PolarHBondContact O-N 2.81Å; E231-F252 HydrophobicContact CB-CD1 3.76Å; E231-F252 HydrophobicContact CB-CE1 3.91Å |
| 232 | S | 86.5 | Confident | 83.3 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144.4 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 113.6 | I226 T227 | I226-S232 CarbonylContact O-C 3.58Å; I226-S232 WeakPolarHBondContact O-CA 3.42Å; T227-S232 WeakPolarHBondContact CB-OG 3.27Å; T227-S232 WeakPolarHBondContact CG2-OG 3.27Å; T227-S232 PolarHBondContact OG1-OG 3.01Å |
| 233 | K | 85.4 | Confident | 82.9 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 147.5 | 179.5 | -63.1 | -173.9 | 173.5 | 179.3 | 0 | 111.7 | K225 I226 F250 F251 F252 | K225-K233 CarbonylContact C-O 3.48Å; K225-K233 WeakPolarHBondContact CA-O 3.36Å; I226-K233 WeakPolarHBondContact CD1-O 3.23Å; I226-K233 PolarHBondContact N-O 3.37Å; I226-K233 PolarHBondContact O-N 2.88Å; K233-F250 HydrophobicContact CB-CB 4.49Å; K233-F250 HydrophobicContact CB-CD1 3.48Å; K233-F250 VanDerWaalsContact CB-CD1 3.48Å; K233-F250 HydrophobicContact CB-CE1 3.91Å; K233-F250 HydrophobicContact CB-CG 4.14Å; K233-F250 HydrophobicContact CD-CB 4.06Å; K233-F250 HydrophobicContact CD-CD1 3.87Å; K233-F250 HydrophobicContact CD-CG 4.41Å; K233-F250 HydrophobicContact CG-CD1 4.26Å; K233-F251 WeakPolarHBondContact CE-O 3.43Å; K233-F251 PolarHBondContact NZ-O 3.38Å; K233-F252 HydrophobicContact CG-CE1 4.38Å; K233-F252 HydrophobicContact CG-CZ 4.39Å |
| 234 | D | 88.9 | Confident | 82.8 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147 | -172 | -63.2 | -11.8 | 0 | 0 | 0 | 113.2 | I223 C224 K225 F250 | I223-D234 HydrophobicContact CD1-CB 4.17Å; C224-D234 CarbonylContact O-C 3.56Å; C224-D234 WeakPolarHBondContact O-CA 3.37Å; K225-D234 WeakPolarHBondContact CA-OD1 3.09Å; K225-D234 WeakPolarHBondContact CB-OD1 3.35Å; K225-D234 VanDerWaalsContact CE-CG 3.45Å; K225-D234 WeakPolarHBondContact CE-OD1 3.48Å; K225-D234 VanDerWaalsContact CE-OD2 3.28Å; K225-D234 WeakPolarHBondContact CE-OD2 3.48Å; K225-D234 WeakPolarHBondContact CG-OD1 3.38Å; K225-D234 IonicContact NZ-OD2 3.15Å; D234-F250 WeakPolarHBondContact O-CE1 3.23Å; D234-F250 WeakPolarHBondContact O-CZ 3.35Å |
| 235 | T | 89.2 | Confident | 82.5 | Confident | 8 Ų | 8 | 66 Ų | 66 | 5% | 0.049 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 172.2 | 173.5 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | V209 I223 C224 W246 F250 | V209-T235 HydrophobicContact CB-CG2 4.03Å; V209-T235 HydrophobicContact CG1-CG2 4.06Å; V209-T235 HydrophobicContact CG2-CG2 4.31Å; I223-T235 VanDerWaalsContact CD1-O 3.22Å; I223-T235 WeakPolarHBondContact CD1-O 3.44Å; I223-T235 VanDerWaalsContact CG1-O 3.25Å; I223-T235 WeakPolarHBondContact CG1-O 3.4Å; C224-T235 HydrophobicContact CB-CG2 3.87Å; C224-T235 PolarHBondContact N-OG1 3.35Å; C224-T235 PolarHBondContact O-N 3.21Å; T235-W246 HydrophobicContact CG2-CG 4.39Å; T235-W246 PolarHBondContact OG1-NE1 2.82Å; T235-F250 HydrophobicContact CG2-CE2 3.83Å; T235-F250 HydrophobicContact CG2-CZ 3.8Å |
| 236 | R | 81.3 | Confident | 82.2 | Confident | 194 Ų | 194 | 63.4 Ų | 63.4 | 73% | 0.732 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 156.5 | 164.8 | -65.1 | 176.3 | -169.4 | -170.9 | 1.5 | 111.5 | W246 Q248 | R236-W246 PolarHBondContact O-NE1 2.87Å; R236-Q248 VanDerWaalsContact CG-NE2 3.28Å |
| 237 | V | 80.5 | Confident | 81.7 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 38% | 0.376 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 136.3 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | I223 S273 | I223-V237 HydrophobicContact CB-CG2 4.25Å; I223-V237 HydrophobicContact CD1-CG2 4.09Å; V237-S273 WeakPolarHBondContact CG1-OG 3.44Å |
| 238 | R | 78.4 | Confident | 81.3 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | trans | -109.3 | 134.7 | 166.3 | -71.7 | -62 | -168.6 | 178.5 | 1.6 | 109.3 | S221 P222 T241 P244 F245 | S221-R238 CarbonylContact C-O 3.6Å; S221-R238 WeakPolarHBondContact CA-O 3.23Å; S221-R238 WeakPolarHBondContact CB-O 3.49Å; P222-R238 WeakPolarHBondContact CD-O 3.22Å; P222-R238 HydrophobicContact CG-CB 4.41Å; P222-R238 VanDerWaalsContact N-O 3.13Å; P222-R238 PolarHBondContact O-N 3.45Å; R238-T241 HydrophobicContact CB-CG2 4Å; R238-P244 HydrophobicContact CB-CB 3.71Å; R238-P244 HydrophobicContact CG-CB 3.82Å; R238-F245 PolarHBondContact NE-O 3.13Å; R238-F245 PolarHBondContact NH2-O 3.02Å | ||
| 239 | N | 68.5 | Low | 81.1 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | trans | -93.9 | 140.5 | -173.2 | -61.6 | -30.9 | 0 | 0 | 0 | 111.7 | S221 T241 | S221-N239 WeakPolarHBondContact OG-CA 3.41Å; N239-T241 PolarHBondContact O-N 3.14Å | ||
| 240 | C | 67.4 | Low | 81.4 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.088 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 57.5 | 40.1 | 164.5 | -40.1 | 0 | 0 | 0 | 0 | 115 | I220 S221 R274 S742 | I220-C240 CarbonylContact O-C 3.54Å; I220-C240 WeakPolarHBondContact O-CA 3.4Å; I220-C240 PolarHBondContact O-N 2.83Å; S221-C240 PolarHBondContact OG-N 2.93Å; C240-R274 PolarHBondContact SG-NH1 3Å; C240-R274 PolarHBondContact SG-NH2 3.03Å; C240-S742 PolarHBondContact SG-OG 3.1Å |
| 241 | T | 71.9 | Confident | 81.5 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | trans | -144.3 | 136.8 | -177.3 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | I220 P222 R238 N239 S243 P244 | I220-T241 WeakPolarHBondContact CG1-O 3.5Å; I220-T241 PolarHBondContact O-N 3.47Å; P222-T241 VanDerWaalsContact CD-O 3.23Å; P222-T241 WeakPolarHBondContact CD-O 3.19Å; P222-T241 HydrophobicContact CG-CG2 4.32Å; P222-T241 WeakPolarHBondContact CG-O 3.3Å; R238-T241 HydrophobicContact CB-CG2 4Å; N239-T241 PolarHBondContact O-N 3.14Å; T241-S243 VanDerWaalsContact C-N 3.33Å; T241-S243 PolarHBondContact OG1-N 3.01Å; T241-S243 PolarHBondContact OG1-O 3.2Å; T241-P244 HydrophobicContact CG2-CB 3.89Å | ||
| 242 | N | 78.8 | Confident | 81.6 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -89.6 | -3.3 | 169.3 | 65.6 | 3.1 | 0 | 0 | 0 | 112.7 | Q214 L215 | Q214-N242 PolarHBondContact N-O 3.05Å; L215-N242 HydrophobicContact CB-CB 4.43Å; L215-N242 WeakPolarHBondContact CB-O 3.35Å; L215-N242 WeakPolarHBondContact CG-O 3.28Å; L215-N242 PolarHBondContact N-O 3.38Å; L215-N242 WeakPolarHBondContact O-CB 3.06Å |
| 243 | S | 81.9 | Confident | 81.2 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -134 | 65.1 | -178.6 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | A212 T241 | A212-S243 CarbonylContact O-C 3.55Å; A212-S243 WeakPolarHBondContact O-CA 2.93Å; T241-S243 VanDerWaalsContact C-N 3.33Å; T241-S243 PolarHBondContact OG1-N 3.01Å; T241-S243 PolarHBondContact OG1-O 3.2Å |
| 244 | P | 86 | Confident | 80.9 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | trans | -73.4 | 147.8 | -175.5 | 31.7 | -39.4 | 0 | 0 | 0 | 113.4 | E211 A212 L215 P222 R238 T241 W246 | E211-P244 CarbonylContact C-O 3.57Å; E211-P244 WeakPolarHBondContact CA-O 3.43Å; E211-P244 VanDerWaalsContact CB-O 3.31Å; E211-P244 WeakPolarHBondContact CB-O 3.17Å; A212-P244 HydrophobicContact CB-CG 3.79Å; A212-P244 PolarHBondContact N-O 3.1Å; L215-P244 HydrophobicContact CD1-CG 3.82Å; P222-P244 HydrophobicContact CB-CG 4.07Å; P222-P244 HydrophobicContact CG-CB 3.68Å; P222-P244 HydrophobicContact CG-CG 3.47Å; P222-P244 VanDerWaalsContact CG-CG 3.47Å; R238-P244 HydrophobicContact CB-CB 3.71Å; R238-P244 HydrophobicContact CG-CB 3.82Å; T241-P244 HydrophobicContact CG2-CB 3.89Å; P244-W246 HydrophobicContact CB-CD2 4.42Å; P244-W246 HydrophobicContact CB-CE3 4.44Å; P244-W246 HydrophobicContact CB-CH2 3.93Å; P244-W246 HydrophobicContact CB-CZ2 3.86Å; P244-W246 HydrophobicContact CB-CZ3 4.21Å; P244-W246 HydrophobicContact CG-CE3 4.25Å; P244-W246 HydrophobicContact CG-CH2 3.21Å; P244-W246 HydrophobicContact CG-CZ2 3.61Å; P244-W246 HydrophobicContact CG-CZ3 3.56Å | ||
| 245 | F | 86.8 | Confident | 80.3 | Confident | 99 Ų | 99 | 51.4 Ų | 51.4 | 43% | 0.434 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.7 | 172.1 | -175 | -91.1 | 0 | 0 | 0 | 110.4 | I210 E211 R238 D247 | I210-F245 HydrophobicContact CG2-CE2 3.99Å; E211-F245 HydrophobicContact CB-CB 4.44Å; E211-F245 HydrophobicContact CB-CD2 3.82Å; R238-F245 PolarHBondContact NE-O 3.13Å; R238-F245 PolarHBondContact NH2-O 3.02Å; F245-D247 HydrophobicContact CE1-CB 3.89Å; F245-D247 HydrophobicContact CZ-CB 4.07Å |
| 246 | W | 86.5 | Confident | 79.7 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -54.1 | -176.6 | -68.1 | -79.4 | 0 | 0 | 0 | 114.5 | V209 I210 A212 P222 C224 T235 R236 P244 Q248 L321 | V209-W246 HydrophobicContact CG1-CD2 4.4Å; V209-W246 HydrophobicContact CG1-CE3 3.74Å; V209-W246 HydrophobicContact CG1-CZ3 4.15Å; I210-W246 PolarHBondContact O-N 2.74Å; A212-W246 HydrophobicContact CB-CH2 4.09Å; A212-W246 HydrophobicContact CB-CZ3 3.77Å; P222-W246 HydrophobicContact CB-CH2 4.3Å; P222-W246 HydrophobicContact CB-CZ2 4.02Å; P222-W246 HydrophobicContact CG-CZ2 4.37Å; C224-W246 HydrophobicContact CB-CH2 4.32Å; C224-W246 HydrophobicContact CB-CZ2 4.5Å; T235-W246 HydrophobicContact CG2-CG 4.39Å; T235-W246 PolarHBondContact OG1-NE1 2.82Å; R236-W246 PolarHBondContact O-NE1 2.87Å; P244-W246 HydrophobicContact CB-CD2 4.42Å; P244-W246 HydrophobicContact CB-CE3 4.44Å; P244-W246 HydrophobicContact CB-CH2 3.93Å; P244-W246 HydrophobicContact CB-CZ2 3.86Å; P244-W246 HydrophobicContact CB-CZ3 4.21Å; P244-W246 HydrophobicContact CG-CE3 4.25Å; P244-W246 HydrophobicContact CG-CH2 3.21Å; P244-W246 HydrophobicContact CG-CZ2 3.61Å; P244-W246 HydrophobicContact CG-CZ3 3.56Å; W246-Q248 HydrophobicContact CB-CG 4.46Å; W246-L321 HydrophobicContact CH2-CD1 4.47Å; W246-L321 HydrophobicContact CZ3-CD1 3.77Å |
| 247 | D | 83.6 | Confident | 79.6 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58 | 55.9 | -174 | -157.2 | 35.1 | 0 | 0 | 0 | 114.9 | K208 V209 I210 F245 | K208-D247 WeakPolarHBondContact CE-OD1 3.48Å; K208-D247 IonicContact NZ-OD1 2.88Å; K208-D247 PolarHBondContact NZ-OD1 2.84Å; K208-D247 IonicContact NZ-OD2 3.6Å; V209-D247 CarbonylContact O-C 3.49Å; V209-D247 WeakPolarHBondContact O-CA 3.31Å; V209-D247 PolarHBondContact O-N 2.76Å; I210-D247 PolarHBondContact O-N 2.85Å; F245-D247 HydrophobicContact CE1-CB 3.89Å; F245-D247 HydrophobicContact CZ-CB 4.07Å |
| 248 | Q | 83.3 | Confident | 79.3 | Confident | 42 Ų | 42 | 40 Ų | 40 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.9 | -176.2 | -68.1 | 177.9 | 28.8 | 0 | 0 | 113.6 | K208 V209 R236 W246 F250 | K208-Q248 CarbonylContact C-O 3.56Å; K208-Q248 VanDerWaalsContact CA-O 3.25Å; K208-Q248 WeakPolarHBondContact CA-O 3.22Å; K208-Q248 WeakPolarHBondContact CG-O 3.21Å; V209-Q248 PolarHBondContact N-O 2.87Å; V209-Q248 PolarHBondContact O-N 2.78Å; R236-Q248 VanDerWaalsContact CG-NE2 3.28Å; W246-Q248 HydrophobicContact CB-CG 4.46Å; Q248-F250 HydrophobicContact CB-CE2 4.25Å; Q248-F250 HydrophobicContact CB-CZ 4.3Å |
| 249 | T | 81.8 | Confident | 79.3 | Confident | 56 Ų | 56 | 36 Ų | 36 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.5 | -175.6 | -49.8 | 0 | 0 | 0 | 0 | 112.8 | V207 K208 F251 | V207-T249 CarbonylContact O-C 3.55Å; V207-T249 WeakPolarHBondContact O-CA 3.5Å; K208-T249 HydrophobicContact CB-CG2 4.32Å; K208-T249 WeakPolarHBondContact CG-OG1 3.41Å; T249-F251 HydrophobicContact CG2-CE1 4.47Å; T249-F251 HydrophobicContact CG2-CE2 3.93Å; T249-F251 HydrophobicContact CG2-CZ 3.68Å |
| 250 | F | 85.1 | Confident | 79.9 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 9% | 0.088 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.1 | -175.8 | -55.6 | -79.4 | 0 | 0 | 0 | 111.4 | R206 V207 V209 I226 K233 D234 T235 Q248 F252 | R206-F250 CarbonylContact C-O 3.54Å; R206-F250 WeakPolarHBondContact CA-O 3.07Å; V207-F250 HydrophobicContact CB-CB 4.49Å; V207-F250 PolarHBondContact N-O 3.21Å; V207-F250 PolarHBondContact O-N 3.13Å; V209-F250 HydrophobicContact CG2-CD2 4.42Å; V209-F250 HydrophobicContact CG2-CE2 4.11Å; I226-F250 HydrophobicContact CD1-CD2 3.41Å; I226-F250 VanDerWaalsContact CD1-CD2 3.41Å; I226-F250 HydrophobicContact CD1-CE1 4.48Å; I226-F250 HydrophobicContact CD1-CE2 3.28Å; I226-F250 HydrophobicContact CD1-CG 4.11Å; I226-F250 HydrophobicContact CD1-CZ 3.85Å; I226-F250 HydrophobicContact CG1-CD2 4.15Å; I226-F250 HydrophobicContact CG1-CE2 4.41Å; K233-F250 HydrophobicContact CB-CB 4.49Å; K233-F250 HydrophobicContact CB-CD1 3.48Å; K233-F250 VanDerWaalsContact CB-CD1 3.48Å; K233-F250 HydrophobicContact CB-CE1 3.91Å; K233-F250 HydrophobicContact CB-CG 4.14Å; K233-F250 HydrophobicContact CD-CB 4.06Å; K233-F250 HydrophobicContact CD-CD1 3.87Å; K233-F250 HydrophobicContact CD-CG 4.41Å; K233-F250 HydrophobicContact CG-CD1 4.26Å; D234-F250 WeakPolarHBondContact O-CE1 3.23Å; D234-F250 WeakPolarHBondContact O-CZ 3.35Å; T235-F250 HydrophobicContact CG2-CE2 3.83Å; T235-F250 HydrophobicContact CG2-CZ 3.8Å; Q248-F250 HydrophobicContact CB-CE2 4.25Å; Q248-F250 HydrophobicContact CB-CZ 4.3Å; F250-F252 HydrophobicContact CB-CE2 4.36Å |
| 251 | F | 78.7 | Confident | 80.6 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.9 | -174.5 | -57 | -93.8 | 0 | 0 | 0 | 111.1 | I205 R206 K233 T249 I1770 | I205-F251 CarbonylContact O-C 3.27Å; I205-F251 WeakPolarHBondContact O-CA 3.28Å; R206-F251 HydrophobicContact CB-CD1 4.22Å; R206-F251 HydrophobicContact CB-CE1 4.13Å; R206-F251 HydrophobicContact CG-CD1 3.73Å; R206-F251 HydrophobicContact CG-CE1 3.73Å; K233-F251 WeakPolarHBondContact CE-O 3.43Å; K233-F251 PolarHBondContact NZ-O 3.38Å; T249-F251 HydrophobicContact CG2-CE1 4.47Å; T249-F251 HydrophobicContact CG2-CE2 3.93Å; T249-F251 HydrophobicContact CG2-CZ 3.68Å; F251-I1770 HydrophobicContact CD1-CG2 4.21Å; F251-I1770 HydrophobicContact CD2-CG2 3.87Å; F251-I1770 HydrophobicContact CE1-CD1 4.28Å; F251-I1770 HydrophobicContact CE1-CG2 3.67Å; F251-I1770 HydrophobicContact CE2-CB 4.22Å; F251-I1770 HydrophobicContact CE2-CD1 4.38Å; F251-I1770 HydrophobicContact CE2-CG1 3.99Å; F251-I1770 HydrophobicContact CE2-CG2 3.32Å; F251-I1770 HydrophobicContact CG-CG2 4.33Å; F251-I1770 HydrophobicContact CZ-CB 4.08Å; F251-I1770 HydrophobicContact CZ-CD1 3.57Å; F251-I1770 HydrophobicContact CZ-CG1 3.68Å; F251-I1770 HydrophobicContact CZ-CG2 3.22Å |
| 252 | F | 83 | Confident | 81.1 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130.3 | 177.2 | -56.5 | -89 | 0 | 0 | 0 | 109.5 | Q204 I205 V207 I226 C228 E231 K233 F250 F254 L266 | Q204-F252 CarbonylContact C-O 3.4Å; Q204-F252 WeakPolarHBondContact CA-O 3.33Å; I205-F252 HydrophobicContact CB-CB 4.36Å; I205-F252 PolarHBondContact N-O 2.92Å; I205-F252 PolarHBondContact O-N 3.49Å; V207-F252 HydrophobicContact CB-CE2 4.46Å; V207-F252 HydrophobicContact CG2-CD2 4.19Å; V207-F252 HydrophobicContact CG2-CE2 3.99Å; I226-F252 HydrophobicContact CB-CE2 4.48Å; I226-F252 HydrophobicContact CB-CZ 4.15Å; I226-F252 HydrophobicContact CG2-CE2 3.77Å; I226-F252 HydrophobicContact CG2-CZ 3.77Å; C228-F252 HydrophobicContact CB-CB 4.02Å; C228-F252 HydrophobicContact CB-CD1 3.47Å; C228-F252 VanDerWaalsContact CB-CD1 3.47Å; C228-F252 HydrophobicContact CB-CD2 3.75Å; C228-F252 HydrophobicContact CB-CE1 3.72Å; C228-F252 HydrophobicContact CB-CE2 4.02Å; C228-F252 HydrophobicContact CB-CG 3.47Å; C228-F252 VanDerWaalsContact CB-CG 3.47Å; C228-F252 HydrophobicContact CB-CZ 4Å; E231-F252 HydrophobicContact CB-CD1 3.76Å; E231-F252 HydrophobicContact CB-CE1 3.91Å; K233-F252 HydrophobicContact CG-CE1 4.38Å; K233-F252 HydrophobicContact CG-CZ 4.39Å; F250-F252 HydrophobicContact CB-CE2 4.36Å; F252-F254 HydrophobicContact CB-CE2 3.68Å; F252-F254 HydrophobicContact CB-CZ 3.89Å; F252-L266 HydrophobicContact CE2-CD1 4.48Å |
| 253 | N | 79.1 | Confident | 81.2 | Confident | 32 Ų | 32 | 34 Ų | 34 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.3 | -174.8 | -59.8 | -31 | 0 | 0 | 0 | 110.7 | F203 Q204 P1577 L1608 | F203-N253 WeakPolarHBondContact O-CA 3.37Å; Q204-N253 WeakPolarHBondContact CB-OD1 3.44Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.36Å; Q204-N253 PolarHBondContact NE2-OD1 2.87Å; N253-P1577 HydrophobicContact CB-CG 4.42Å; N253-L1608 HydrophobicContact CB-CD1 4.28Å |
| 254 | F | 79.4 | Confident | 81.4 | Confident | 18 Ų | 18 | 34.8 Ų | 34.8 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 132.9 | -174.2 | -58.6 | -60.7 | 0 | 0 | 0 | 113 | D202 F203 I205 C228 W229 F252 | D202-F254 CarbonylContact C-O 3.42Å; D202-F254 WeakPolarHBondContact CA-O 3.48Å; D202-F254 WeakPolarHBondContact CB-O 3.4Å; F203-F254 PolarHBondContact N-O 2.67Å; F203-F254 PolarHBondContact O-N 2.79Å; I205-F254 HydrophobicContact CD1-CD2 3.66Å; I205-F254 HydrophobicContact CD1-CE2 3.64Å; C228-F254 HydrophobicContact CB-CE2 4.23Å; C228-F254 HydrophobicContact CB-CZ 4.14Å; C228-F254 VanDerWaalsContact SG-CE2 3.51Å; W229-F254 HydrophobicContact CB-CE1 4.04Å; W229-F254 HydrophobicContact CB-CZ 3.88Å; W229-F254 HydrophobicContact CD2-CD1 4.4Å; W229-F254 HydrophobicContact CD2-CE1 4.32Å; W229-F254 HydrophobicContact CE3-CB 4.3Å; W229-F254 AromaticContact CE3-CD1 3.24Å; W229-F254 HydrophobicContact CE3-CD1 3.24Å; W229-F254 HydrophobicContact CE3-CD2 4.39Å; W229-F254 AromaticContact CE3-CE1 3.51Å; W229-F254 HydrophobicContact CE3-CE1 3.51Å; W229-F254 AromaticContact CE3-CG 3.72Å; W229-F254 HydrophobicContact CE3-CG 3.72Å; W229-F254 HydrophobicContact CE3-CZ 4.2Å; W229-F254 HydrophobicContact CZ3-CB 4.03Å; W229-F254 AromaticContact CZ3-CD1 3.63Å; W229-F254 HydrophobicContact CZ3-CD1 3.63Å; W229-F254 HydrophobicContact CZ3-CE1 4.33Å; W229-F254 AromaticContact CZ3-CG 3.95Å; W229-F254 HydrophobicContact CZ3-CG 3.95Å; F252-F254 HydrophobicContact CB-CE2 3.68Å; F252-F254 HydrophobicContact CB-CZ 3.89Å |
| 255 | F | 75 | Confident | 81.4 | Confident | 79 Ų | 79 | 38 Ų | 38 | 35% | 0.346 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 104.9 | 168.9 | -177.1 | -134.9 | 0 | 0 | 0 | 111.5 | K200 D202 L1583 | K200-F255 HydrophobicContact CB-CD2 4.36Å; K200-F255 HydrophobicContact CB-CE1 4.28Å; K200-F255 HydrophobicContact CB-CE2 3.89Å; K200-F255 HydrophobicContact CB-CZ 3.84Å; D202-F255 WeakPolarHBondContact OD1-CA 3.31Å; D202-F255 WeakPolarHBondContact OD1-CB 3.49Å; D202-F255 WeakPolarHBondContact OD1-CD2 3.43Å; D202-F255 WeakPolarHBondContact OD1-CG 3.04Å; F255-L1583 HydrophobicContact CB-CD2 4.26Å; F255-L1583 HydrophobicContact CD1-CD1 4.48Å; F255-L1583 HydrophobicContact CD1-CD2 4.49Å; F255-L1583 HydrophobicContact CD2-CD1 3.98Å; F255-L1583 HydrophobicContact CD2-CD2 4.19Å; F255-L1583 HydrophobicContact CD2-CG 4.03Å; F255-L1583 HydrophobicContact CE1-CD1 4.17Å; F255-L1583 HydrophobicContact CE2-CD1 3.57Å; F255-L1583 HydrophobicContact CE2-CG 4.07Å; F255-L1583 HydrophobicContact CG-CD1 4.37Å; F255-L1583 HydrophobicContact CG-CD2 4.07Å; F255-L1583 HydrophobicContact CG-CG 4.41Å; F255-L1583 HydrophobicContact CZ-CD1 3.68Å |
| 256 | D | 76 | Confident | 81.6 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 171.5 | 175 | -141.8 | -25 | 0 | 0 | 0 | 113.6 | K200 Q201 M261 | K200-D256 WeakPolarHBondContact CA-O 3.42Å; K200-D256 IonicContact NZ-OD1 2.73Å; K200-D256 PolarHBondContact NZ-OD1 3.03Å; Q201-D256 CarbonylContact C-O 3.56Å; Q201-D256 PolarHBondContact N-O 3.04Å; Q201-D256 CarbonylContact O-C 3.47Å; Q201-D256 PolarHBondContact O-N 3.31Å; D256-M261 HydrophobicContact CB-CB 4.21Å |
| 257 | S | 79 | Confident | 81.9 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 143.2 | 172.7 | 68.6 | 0 | 0 | 0 | 0 | 109.3 | T198 K199 A259 E260 M261 | T198-S257 VanDerWaalsContact C-CB 3.48Å; T198-S257 WeakPolarHBondContact O-CB 3.4Å; K199-S257 WeakPolarHBondContact O-CA 3.37Å; S257-A259 PolarHBondContact O-N 2.76Å; S257-A259 VanDerWaalsContact O-N 3.1Å; S257-E260 PolarHBondContact O-N 2.94Å; S257-E260 WeakPolarHBondContact OG-CB 3.01Å; S257-E260 WeakPolarHBondContact OG-CG 3.25Å; S257-E260 PolarHBondContact OG-N 3.07Å; S257-M261 PolarHBondContact O-N 2.84Å |
| 258 | A | 76.2 | Confident | 82.3 | Confident | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.2 | -35.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S197 F203 L262 | S197-A258 PolarHBondContact O-N 2.66Å; F203-A258 HydrophobicContact CE2-CB 4.35Å; F203-A258 HydrophobicContact CZ-CB 3.83Å; A258-L262 HydrophobicContact CB-CD1 4.09Å; A258-L262 WeakPolarHBondContact O-CB 3.19Å; A258-L262 WeakPolarHBondContact O-CD1 3.27Å; A258-L262 WeakPolarHBondContact O-CG 3.48Å; A258-L262 PolarHBondContact O-N 2.68Å; A258-L262 VanDerWaalsContact O-N 3.1Å |
| 259 | A | 77.5 | Confident | 82.8 | Confident | 28 Ų | 28 | 29.6 Ų | 29.6 | 23% | 0.231 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S197 T198 S257 | S197-A259 PolarHBondContact O-N 3.05Å; T198-A259 HydrophobicContact CG2-CB 4.28Å; S257-A259 PolarHBondContact O-N 2.76Å; S257-A259 VanDerWaalsContact O-N 3.1Å |
| 260 | E | 80.1 | Confident | 83.2 | Confident | 94 Ų | 94 | 27 Ų | 27 | 44% | 0.439 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -84.5 | -38.4 | -178.8 | -72.9 | -178.2 | 143.7 | 0 | 0 | 113.2 | K200 S257 Q264 | K200-E260 IonicContact NZ-OE2 3.08Å; K200-E260 PolarHBondContact NZ-OE2 3.33Å; S257-E260 PolarHBondContact O-N 2.94Å; S257-E260 WeakPolarHBondContact OG-CB 3.01Å; S257-E260 WeakPolarHBondContact OG-CG 3.25Å; S257-E260 PolarHBondContact OG-N 3.07Å; E260-Q264 PolarHBondContact O-NE2 2.76Å |
| 261 | M | 82.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.9 | -47.1 | 179.6 | -173.8 | -75.4 | -105.2 | 0 | 0 | 111.4 | F203 I205 D256 S257 D263 Q264 L289 I327 | F203-M261 HydrophobicContact CB-CE 3.24Å; F203-M261 HydrophobicContact CD1-CE 3.56Å; F203-M261 HydrophobicContact CD2-CB 4.33Å; F203-M261 HydrophobicContact CD2-CE 3.75Å; F203-M261 HydrophobicContact CD2-CG 4.15Å; F203-M261 HydrophobicContact CE1-CE 4.32Å; F203-M261 HydrophobicContact CE2-CE 4.48Å; F203-M261 HydrophobicContact CG-CE 3.22Å; I205-M261 HydrophobicContact CD1-CE 4.43Å; I205-M261 HydrophobicContact CD1-SD 4.37Å; D256-M261 HydrophobicContact CB-CB 4.21Å; S257-M261 PolarHBondContact O-N 2.84Å; M261-D263 PolarHBondContact O-N 3.47Å; M261-Q264 VanDerWaalsContact O-CB 3.26Å; M261-Q264 WeakPolarHBondContact O-CB 3.33Å; M261-Q264 WeakPolarHBondContact O-CG 3.03Å; M261-Q264 PolarHBondContact O-N 2.8Å; M261-L289 HydrophobicContact SD-CB 3.91Å; M261-L289 HydrophobicContact SD-CD1 3.51Å; M261-L289 VanDerWaalsContact SD-CD1 3.51Å; M261-L289 HydrophobicContact SD-CG 4.33Å; M261-I327 HydrophobicContact CE-CD1 4.48Å; M261-I327 HydrophobicContact CE-CG2 3.66Å |
| 262 | L | 82.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.9 | -174.8 | -61.9 | 176 | 0 | 0 | 0 | 113 | Y196 A258 L289 S290 Y293 | Y196-L262 HydrophobicContact CD1-CD1 3.82Å; Y196-L262 HydrophobicContact CD2-CD1 4.26Å; Y196-L262 HydrophobicContact CE1-CD1 3.97Å; Y196-L262 HydrophobicContact CE2-CD1 4.37Å; Y196-L262 HydrophobicContact CG-CD1 3.98Å; A258-L262 HydrophobicContact CB-CD1 4.09Å; A258-L262 WeakPolarHBondContact O-CB 3.19Å; A258-L262 WeakPolarHBondContact O-CD1 3.27Å; A258-L262 WeakPolarHBondContact O-CG 3.48Å; A258-L262 PolarHBondContact O-N 2.68Å; A258-L262 VanDerWaalsContact O-N 3.1Å; L262-L289 HydrophobicContact CD2-CB 4.42Å; L262-S290 VanDerWaalsContact O-CB 3.29Å; L262-S290 WeakPolarHBondContact O-CB 3.33Å; L262-S290 PolarHBondContact O-N 2.93Å; L262-S290 PolarHBondContact O-OG 2.85Å; L262-Y293 HydrophobicContact CD1-CD1 3.64Å; L262-Y293 HydrophobicContact CD1-CE1 4.22Å; L262-Y293 HydrophobicContact CD1-CG 4.04Å; L262-Y293 VanDerWaalsContact CD2-CB 3.44Å; L262-Y293 HydrophobicContact CD2-CD1 4.18Å; L262-Y293 HydrophobicContact CD2-CD2 4.19Å; L262-Y293 HydrophobicContact CD2-CG 3.69Å |
| 263 | D | 81.3 | Confident | 83.5 | Confident | 72 Ų | 72 | 31 Ų | 31 | 39% | 0.385 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -5.6 | 169.2 | -87.3 | -17.2 | 0 | 0 | 0 | 112.5 | R193 M261 | R193-D263 IonicContact CZ-OD1 2.95Å; R193-D263 IonicContact NH1-OD1 2.8Å; R193-D263 PolarHBondContact NH1-OD1 3.18Å; R193-D263 VanDerWaalsContact NH1-OD1 3.11Å; R193-D263 IonicContact NH1-OD2 3.32Å; R193-D263 PolarHBondContact NH1-OD2 3.04Å; R193-D263 IonicContact NH2-OD1 3.34Å; R193-D263 PolarHBondContact NH2-OD1 3.42Å; M261-D263 PolarHBondContact O-N 3.47Å |
| 264 | Q | 85.8 | Confident | 83.2 | Confident | 57 Ų | 57 | 33.7 Ų | 33.7 | 27% | 0.266 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -82.5 | 158.9 | 174.5 | -58 | -54.5 | -49.8 | 0 | 0 | 112.8 | W229 E260 M261 D288 L289 | W229-Q264 VanDerWaalsContact CD1-OE1 3.23Å; W229-Q264 HydrophobicContact CD2-CG 4.15Å; W229-Q264 HydrophobicContact CG-CG 4.26Å; W229-Q264 VanDerWaalsContact NE1-OE1 3.16Å; E260-Q264 PolarHBondContact O-NE2 2.76Å; M261-Q264 VanDerWaalsContact O-CB 3.26Å; M261-Q264 WeakPolarHBondContact O-CB 3.33Å; M261-Q264 WeakPolarHBondContact O-CG 3.03Å; M261-Q264 PolarHBondContact O-N 2.8Å; Q264-D288 CarbonylContact O-C 3.58Å; Q264-D288 WeakPolarHBondContact O-CA 3.41Å; Q264-L289 HydrophobicContact CB-CD1 4.11Å; Q264-L289 PolarHBondContact O-N 2.47Å |
| 265 | Q | 86.9 | Confident | 82.6 | Confident | 69 Ų | 69 | 39.5 Ų | 39.5 | 32% | 0.322 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 139.5 | -175.4 | -44.7 | -156.2 | -61.9 | 0 | 0 | 113.1 | W229 V267 F287 D288 | W229-Q265 PolarHBondContact N-O 2.81Å; Q265-V267 HydrophobicContact CB-CG2 4.49Å; Q265-F287 WeakPolarHBondContact CA-O 3.21Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.29Å; Q265-D288 PolarHBondContact NE2-OD1 3.17Å |
| 266 | L | 90.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.3 | 164.2 | -172.3 | 67.1 | 0 | 0 | 0 | 108.9 | V207 I226 C228 F252 F268 K286 F287 L289 V325 | V207-L266 HydrophobicContact CG2-CD1 4.15Å; V207-L266 HydrophobicContact CG2-CD2 3.81Å; I226-L266 HydrophobicContact CG2-CD1 3.95Å; C228-L266 HydrophobicContact CB-CD1 3.46Å; C228-L266 VanDerWaalsContact CB-CD1 3.46Å; F252-L266 HydrophobicContact CE2-CD1 4.48Å; L266-F268 HydrophobicContact CD2-CE2 3.58Å; L266-F268 HydrophobicContact CD2-CZ 3.62Å; L266-F268 HydrophobicContact CG-CE2 3.65Å; L266-F268 HydrophobicContact CG-CZ 4.01Å; L266-K286 WeakPolarHBondContact O-CA 3.19Å; L266-F287 HydrophobicContact CB-CE2 4.38Å; L266-F287 HydrophobicContact CB-CZ 4.33Å; L266-F287 HydrophobicContact CD2-CE1 4.4Å; L266-F287 HydrophobicContact CD2-CE2 4.37Å; L266-F287 HydrophobicContact CD2-CZ 3.82Å; L266-F287 PolarHBondContact N-O 3.24Å; L266-F287 PolarHBondContact O-N 3.24Å; L266-F287 VanDerWaalsContact O-N 3.14Å; L266-L289 HydrophobicContact CB-CD2 4.02Å; L266-V325 HydrophobicContact CD2-CG1 4.01Å; L266-V325 HydrophobicContact CD2-CG2 3.95Å |
| 267 | V | 92 | Very high | 81.2 | Confident | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.6 | -173.6 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | I226 T227 Q265 F285 K286 | I226-V267 CarbonylContact C-O 3.54Å; I226-V267 WeakPolarHBondContact CA-O 3.22Å; T227-V267 PolarHBondContact N-O 2.82Å; T227-V267 PolarHBondContact O-N 3.4Å; Q265-V267 HydrophobicContact CB-CG2 4.49Å; V267-F285 CarbonylContact C-O 3.38Å; V267-F285 WeakPolarHBondContact CA-O 3.33Å; V267-K286 HydrophobicContact CB-CB 4.24Å; V267-K286 HydrophobicContact CG1-CB 4.23Å; V267-K286 HydrophobicContact CG2-CB 3.81Å |
| 268 | F | 93.7 | Very high | 80 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.4 | 173.8 | -63.8 | -96.4 | 0 | 0 | 0 | 108.3 | V207 V209 K225 I226 L266 S284 F285 F287 L305 L321 I323 V325 | V207-F268 HydrophobicContact CG1-CE1 3.35Å; V207-F268 HydrophobicContact CG1-CZ 3.5Å; V207-F268 VanDerWaalsContact CG1-CZ 3.5Å; V209-F268 HydrophobicContact CG2-CE1 4.44Å; K225-F268 CarbonylContact O-C 3.59Å; K225-F268 WeakPolarHBondContact O-CA 3.25Å; I226-F268 HydrophobicContact CG1-CD1 3.92Å; I226-F268 HydrophobicContact CG1-CE1 3.93Å; I226-F268 HydrophobicContact CG2-CD1 4.31Å; I226-F268 HydrophobicContact CG2-CE1 4Å; I226-F268 HydrophobicContact CG2-CZ 4.33Å; L266-F268 HydrophobicContact CD2-CE2 3.58Å; L266-F268 HydrophobicContact CD2-CZ 3.62Å; L266-F268 HydrophobicContact CG-CE2 3.65Å; L266-F268 HydrophobicContact CG-CZ 4.01Å; F268-S284 CarbonylContact O-C 3.56Å; F268-S284 WeakPolarHBondContact O-CA 3.24Å; F268-S284 WeakPolarHBondContact O-CB 3.41Å; F268-S284 PolarHBondContact O-OG 3.47Å; F268-F285 PolarHBondContact N-O 3.1Å; F268-F285 PolarHBondContact O-N 3.41Å; F268-F287 HydrophobicContact CD2-CE1 4.36Å; F268-F287 AromaticContact CE2-CE1 3.72Å; F268-F287 HydrophobicContact CE2-CE1 3.72Å; F268-F287 HydrophobicContact CE2-CZ 4.26Å; F268-L305 HydrophobicContact CB-CD1 4.11Å; F268-L305 HydrophobicContact CD1-CD1 4.25Å; F268-L305 HydrophobicContact CD2-CD1 3.46Å; F268-L305 VanDerWaalsContact CD2-CD1 3.46Å; F268-L305 HydrophobicContact CE2-CD1 3.89Å; F268-L305 HydrophobicContact CG-CD1 3.67Å; F268-L305 HydrophobicContact CZ-CD1 4.43Å; F268-L321 HydrophobicContact CB-CD2 3.9Å; F268-L321 HydrophobicContact CD1-CD2 3.78Å; F268-L321 HydrophobicContact CG-CD2 4.11Å; F268-I323 HydrophobicContact CD1-CG2 4.16Å; F268-I323 HydrophobicContact CE1-CB 4.46Å; F268-I323 HydrophobicContact CE1-CD1 4.1Å; F268-I323 HydrophobicContact CE1-CG2 3.78Å; F268-I323 HydrophobicContact CE2-CD1 3.81Å; F268-I323 HydrophobicContact CZ-CD1 3.46Å; F268-I323 VanDerWaalsContact CZ-CD1 3.46Å; F268-I323 HydrophobicContact CZ-CG2 4.28Å; F268-V325 HydrophobicContact CZ-CG2 4.31Å |
| 269 | T | 91.9 | Very high | 79.3 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 122 | -178 | -47.1 | 0 | 0 | 0 | 0 | 110.2 | C224 K225 Y271 L281 G283 S284 | C224-T269 CarbonylContact C-O 3.58Å; C224-T269 WeakPolarHBondContact CA-O 3.31Å; K225-T269 PolarHBondContact N-O 2.85Å; K225-T269 PolarHBondContact O-N 3.5Å; T269-Y271 HydrophobicContact CG2-CD2 4.31Å; T269-Y271 HydrophobicContact CG2-CE1 4.13Å; T269-Y271 HydrophobicContact CG2-CE2 3.55Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.44Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.36Å; T269-L281 HydrophobicContact CG2-CD1 3.23Å; T269-G283 CarbonylContact C-O 3.48Å; T269-G283 WeakPolarHBondContact CA-O 3.16Å; T269-S284 PolarHBondContact OG1-OG 3.19Å |
| 270 | V | 92 | Very high | 79.4 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.1 | -179.6 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | L215 P222 I223 C224 I282 G283 L307 | L215-V270 HydrophobicContact CD1-CG1 3.99Å; L215-V270 HydrophobicContact CD2-CG1 4.18Å; P222-V270 HydrophobicContact CB-CG1 4.08Å; I223-V270 CarbonylContact O-C 3.56Å; I223-V270 VanDerWaalsContact O-CA 3.31Å; I223-V270 WeakPolarHBondContact O-CA 3.21Å; C224-V270 HydrophobicContact CB-CG2 4.32Å; V270-I282 HydrophobicContact CG1-CD1 4.12Å; V270-I282 WeakPolarHBondContact O-CB 3.33Å; V270-I282 PolarHBondContact O-N 2.82Å; V270-G283 PolarHBondContact N-O 3.21Å; V270-G283 PolarHBondContact O-N 2.92Å; V270-L307 HydrophobicContact CB-CD1 4.22Å; V270-L307 HydrophobicContact CG2-CD1 3.66Å; V270-L307 HydrophobicContact CG2-CD2 4.36Å |
| 271 | Y | 89.2 | Confident | 79.6 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 153.6 | 178.8 | -58.5 | -89.4 | 0 | 0 | 0 | 111.6 | P222 I223 K225 T269 S280 L281 | P222-Y271 CarbonylContact C-O 3.47Å; P222-Y271 VanDerWaalsContact CA-O 3.25Å; P222-Y271 WeakPolarHBondContact CA-O 3.3Å; I223-Y271 PolarHBondContact N-O 2.95Å; I223-Y271 PolarHBondContact O-N 2.93Å; K225-Y271 HydrophobicContact CB-CD2 4.41Å; K225-Y271 HydrophobicContact CB-CE2 3.89Å; K225-Y271 HydrophobicContact CD-CE2 4.27Å; T269-Y271 HydrophobicContact CG2-CD2 4.31Å; T269-Y271 HydrophobicContact CG2-CE1 4.13Å; T269-Y271 HydrophobicContact CG2-CE2 3.55Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.44Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.36Å; Y271-S280 CarbonylContact C-O 3.54Å; Y271-S280 WeakPolarHBondContact CA-O 3.31Å; Y271-S280 WeakPolarHBondContact CD1-OG 3.46Å; Y271-L281 HydrophobicContact CD1-CB 4.23Å; Y271-L281 HydrophobicContact CD1-CD1 4.31Å; Y271-L281 HydrophobicContact CE1-CB 4.2Å; Y271-L281 HydrophobicContact CE1-CD1 4Å |
| 272 | D | 84.5 | Confident | 79.7 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 108.1 | 165.8 | 180 | 13.2 | 0 | 0 | 0 | 109.9 | I220 S221 R274 R275 S280 I282 | I220-D272 HydrophobicContact CB-CB 4.28Å; I220-D272 HydrophobicContact CG2-CB 4.21Å; S221-D272 PolarHBondContact N-OD1 3.26Å; D272-R274 PolarHBondContact O-N 2.85Å; D272-R274 WeakPolarHBondContact OD1-CB 3.38Å; D272-R274 PolarHBondContact OD1-N 2.89Å; D272-R274 VanDerWaalsContact OD1-N 3.1Å; D272-R275 PolarHBondContact O-N 3.24Å; D272-R275 VanDerWaalsContact O-N 3.14Å; D272-R275 WeakPolarHBondContact OD2-CG 3.37Å; D272-R275 IonicContact OD2-NE 2.81Å; D272-S280 PolarHBondContact N-O 3.35Å; D272-S280 WeakPolarHBondContact O-CB 3.37Å; D272-I282 HydrophobicContact CB-CD1 4.04Å; D272-I282 HydrophobicContact CB-CG1 4.28Å |
| 273 | S | 79 | Confident | 80 | Confident | 55 Ų | 55 | 67.1 Ų | 67.1 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.6 | -179.4 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | S221 V237 R275 | S221-S273 WeakPolarHBondContact CB-OG 3.44Å; S221-S273 WeakPolarHBondContact O-CB 3.31Å; S221-S273 PolarHBondContact O-N 3.44Å; S221-S273 PolarHBondContact O-OG 3.09Å; V237-S273 WeakPolarHBondContact CG1-OG 3.44Å; S273-R275 VanDerWaalsContact C-N 3.29Å |
| 274 | R | 71.5 | Confident | 80.4 | Confident | 87 Ų | 87 | 64 Ų | 64 | 33% | 0.328 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -18 | 174.3 | -78.1 | 176.7 | 155.6 | 167.3 | -5.2 | 113.3 | N219 S221 C240 D272 S742 | N219-R274 PolarHBondContact O-NH1 2.85Å; N219-R274 PolarHBondContact OD1-NH1 3Å; S221-R274 WeakPolarHBondContact OG-CD 3.15Å; S221-R274 PolarHBondContact OG-NE 2.85Å; C240-R274 PolarHBondContact SG-NH1 3Å; C240-R274 PolarHBondContact SG-NH2 3.03Å; D272-R274 PolarHBondContact O-N 2.85Å; D272-R274 WeakPolarHBondContact OD1-CB 3.38Å; D272-R274 PolarHBondContact OD1-N 2.89Å; D272-R274 VanDerWaalsContact OD1-N 3.1Å; R274-S742 PolarHBondContact NH2-OG 3.46Å |
| 275 | R | 67.5 | Low | 80.7 | Confident | 141 Ų | 141 | 61.6 Ų | 61.6 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -102 | 143.9 | -179.5 | -67.3 | -178.8 | -178.8 | -166.7 | -2.5 | 110.7 | D272 S273 D279 | D272-R275 PolarHBondContact O-N 3.24Å; D272-R275 VanDerWaalsContact O-N 3.14Å; D272-R275 WeakPolarHBondContact OD2-CG 3.37Å; D272-R275 IonicContact OD2-NE 2.81Å; S273-R275 VanDerWaalsContact C-N 3.29Å; R275-D279 WeakPolarHBondContact CD-O 3.42Å; R275-D279 PolarHBondContact NH1-O 2.77Å |
| 276 | L | 59.3 | Low | 80.8 | Confident | 153 Ų | 153 | 63.7 Ų | 63.7 | 80% | 0.801 | 29% | 0.286 | S | S | * | . | trans | -94 | 140.1 | 174.4 | -73.8 | 154.9 | 0 | 0 | 0 | 109.7 | ||||
| 277 | R | 62 | Low | 80.7 | Confident | 224 Ų | 224 | 64.4 Ų | 64.4 | 85% | 0.845 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | 71.3 | -149.2 | 172.5 | -47.9 | 177 | 177.2 | 174.3 | -0 | 114.2 | D279 S280 | R277-D279 VanDerWaalsContact C-N 3.25Å; R277-D279 PolarHBondContact O-N 2.92Å; R277-S280 WeakPolarHBondContact O-CB 3.19Å; R277-S280 PolarHBondContact O-N 2.75Å; R277-S280 PolarHBondContact O-OG 3.17Å |
| 278 | R | 55.1 | Low | 80.5 | Confident | 223 Ų | 223 | 65.3 Ų | 65.3 | 84% | 0.842 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -63.6 | -28.1 | -169.7 | -65.3 | -175.8 | -173.2 | 174.4 | 0.8 | 113.1 | S280 L281 | R278-S280 PolarHBondContact O-N 2.85Å; R278-S280 VanDerWaalsContact O-N 3.08Å; R278-L281 PolarHBondContact O-N 2.82Å |
| 279 | D | 59.8 | Low | 80.1 | Confident | 118 Ų | 118 | 65.3 Ų | 65.3 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -71.8 | -3 | -178.4 | -52.4 | -24.5 | 0 | 0 | 0 | 113.2 | R275 R277 | R275-D279 WeakPolarHBondContact CD-O 3.42Å; R275-D279 PolarHBondContact NH1-O 2.77Å; R277-D279 VanDerWaalsContact C-N 3.25Å; R277-D279 PolarHBondContact O-N 2.92Å |
| 280 | S | 80.9 | Confident | 79.8 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -81.9 | -20.2 | 174.9 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | Y271 D272 R277 R278 I282 | Y271-S280 CarbonylContact C-O 3.54Å; Y271-S280 WeakPolarHBondContact CA-O 3.31Å; Y271-S280 WeakPolarHBondContact CD1-OG 3.46Å; D272-S280 PolarHBondContact N-O 3.35Å; D272-S280 WeakPolarHBondContact O-CB 3.37Å; R277-S280 WeakPolarHBondContact O-CB 3.19Å; R277-S280 PolarHBondContact O-N 2.75Å; R277-S280 PolarHBondContact O-OG 3.17Å; R278-S280 PolarHBondContact O-N 2.85Å; R278-S280 VanDerWaalsContact O-N 3.08Å; S280-I282 PolarHBondContact O-N 3.05Å |
| 281 | L | 85 | Confident | 79.4 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 121.4 | -177.1 | 176.4 | 63.7 | 0 | 0 | 0 | 110.7 | T269 Y271 R278 P310 | T269-L281 HydrophobicContact CG2-CD1 3.23Å; Y271-L281 HydrophobicContact CD1-CB 4.23Å; Y271-L281 HydrophobicContact CD1-CD1 4.31Å; Y271-L281 HydrophobicContact CE1-CB 4.2Å; Y271-L281 HydrophobicContact CE1-CD1 4Å; R278-L281 PolarHBondContact O-N 2.82Å; L281-P310 HydrophobicContact CD2-CG 4.3Å |
| 282 | I | 84.3 | Confident | 79.2 | Confident | 17 Ų | 17 | 66 Ų | 66 | 9% | 0.087 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -54 | 173.3 | -63.3 | 166.1 | 0 | 0 | 0 | 109.4 | L215 Q216 I220 V270 D272 S280 K318 | L215-I282 HydrophobicContact CB-CG2 4.31Å; L215-I282 HydrophobicContact CD2-CG2 4.37Å; Q216-I282 HydrophobicContact CB-CG2 4.43Å; I220-I282 HydrophobicContact CD1-CD1 3.53Å; V270-I282 HydrophobicContact CG1-CD1 4.12Å; V270-I282 WeakPolarHBondContact O-CB 3.33Å; V270-I282 PolarHBondContact O-N 2.82Å; D272-I282 HydrophobicContact CB-CD1 4.04Å; D272-I282 HydrophobicContact CB-CG1 4.28Å; S280-I282 PolarHBondContact O-N 3.05Å; I282-K318 WeakPolarHBondContact O-CB 3.43Å; I282-K318 WeakPolarHBondContact O-CG 3.49Å |
| 283 | G | 88 | Confident | 79.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | 163.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T269 V270 | T269-G283 CarbonylContact C-O 3.48Å; T269-G283 WeakPolarHBondContact CA-O 3.16Å; V270-G283 PolarHBondContact N-O 3.21Å; V270-G283 PolarHBondContact O-N 2.92Å |
| 284 | S | 89.7 | Confident | 79.3 | Confident | 8 Ų | 8 | 71 Ų | 71 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.9 | -177.6 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | F268 T269 C308 | F268-S284 CarbonylContact O-C 3.56Å; F268-S284 WeakPolarHBondContact O-CA 3.24Å; F268-S284 WeakPolarHBondContact O-CB 3.41Å; F268-S284 PolarHBondContact O-OG 3.47Å; T269-S284 PolarHBondContact OG1-OG 3.19Å; S284-C308 PolarHBondContact N-O 3.42Å; S284-C308 PolarHBondContact O-N 3.15Å; S284-C308 VanDerWaalsContact O-O 3.12Å; S284-C308 PolarHBondContact O-SG 2.91Å; S284-C308 VanDerWaalsContact O-SG 3.4Å |
| 285 | F | 91.4 | Very high | 79.9 | Confident | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.3 | 171.2 | -171.4 | -95.3 | 0 | 0 | 0 | 109.8 | V267 F268 F287 L305 L306 L307 L353 R354 P355 | V267-F285 CarbonylContact C-O 3.38Å; V267-F285 WeakPolarHBondContact CA-O 3.33Å; F268-F285 PolarHBondContact N-O 3.1Å; F268-F285 PolarHBondContact O-N 3.41Å; F285-F287 AromaticContact CD1-CD1 3.67Å; F285-F287 HydrophobicContact CD1-CD1 3.67Å; F285-F287 HydrophobicContact CD1-CE1 4.28Å; F285-F287 HydrophobicContact CE1-CB 4.12Å; 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 4.18Å; F285-F287 HydrophobicContact CE1-CG 4.17Å; F285-L305 HydrophobicContact CB-CB 4.12Å; F285-L305 HydrophobicContact CB-CD1 4.12Å; F285-L305 HydrophobicContact CD1-CB 3.99Å; F285-L305 HydrophobicContact CD1-CD1 3.83Å; F285-L305 HydrophobicContact CD1-CD2 3.85Å; F285-L305 HydrophobicContact CD1-CG 4.11Å; F285-L305 HydrophobicContact CD2-CB 4.2Å; F285-L305 HydrophobicContact CE1-CB 4.44Å; F285-L305 HydrophobicContact CE1-CD2 3.79Å; F285-L305 HydrophobicContact CG-CB 3.86Å; F285-L305 HydrophobicContact CG-CD1 4.18Å; F285-L305 HydrophobicContact CG-CG 4.44Å; F285-L305 HydrophobicContact CZ-CD2 4.44Å; F285-L306 WeakPolarHBondContact CD2-O 3.33Å; F285-L307 HydrophobicContact CB-CD2 4.11Å; F285-L353 HydrophobicContact CE1-CB 4.23Å; F285-L353 VanDerWaalsContact CE2-O 3.31Å; F285-L353 WeakPolarHBondContact CE2-O 3.49Å; F285-L353 HydrophobicContact CZ-CB 3.76Å; F285-R354 VanDerWaalsContact CE2-C 3.49Å; F285-P355 HydrophobicContact CD2-CG 3.75Å; F285-P355 HydrophobicContact CE2-CB 4.34Å; F285-P355 VanDerWaalsContact CE2-CD 3.47Å; F285-P355 HydrophobicContact CE2-CG 3.69Å |
| 286 | K | 90.1 | Very high | 80.3 | Confident | 113 Ų | 113 | 69.5 Ų | 69.5 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 147.1 | 174.5 | 66.7 | -177.1 | -168.9 | 156.6 | 0 | 112.9 | L266 V267 | L266-K286 WeakPolarHBondContact O-CA 3.19Å; V267-K286 HydrophobicContact CB-CB 4.24Å; V267-K286 HydrophobicContact CG1-CB 4.23Å; V267-K286 HydrophobicContact CG2-CB 3.81Å |
| 287 | F | 88.2 | Confident | 81.2 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 159.2 | 176.7 | 62.7 | -90.3 | 0 | 0 | 0 | 111.2 | Q265 L266 F268 F285 I291 V292 L305 I323 V325 | Q265-F287 WeakPolarHBondContact CA-O 3.21Å; L266-F287 HydrophobicContact CB-CE2 4.38Å; L266-F287 HydrophobicContact CB-CZ 4.33Å; L266-F287 HydrophobicContact CD2-CE1 4.4Å; L266-F287 HydrophobicContact CD2-CE2 4.37Å; L266-F287 HydrophobicContact CD2-CZ 3.82Å; L266-F287 PolarHBondContact N-O 3.24Å; L266-F287 PolarHBondContact O-N 3.24Å; L266-F287 VanDerWaalsContact O-N 3.14Å; F268-F287 HydrophobicContact CD2-CE1 4.36Å; F268-F287 AromaticContact CE2-CE1 3.72Å; F268-F287 HydrophobicContact CE2-CE1 3.72Å; F268-F287 HydrophobicContact CE2-CZ 4.26Å; F285-F287 AromaticContact CD1-CD1 3.67Å; F285-F287 HydrophobicContact CD1-CD1 3.67Å; F285-F287 HydrophobicContact CD1-CE1 4.28Å; F285-F287 HydrophobicContact CE1-CB 4.12Å; 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 4.18Å; F285-F287 HydrophobicContact CE1-CG 4.17Å; F287-I291 HydrophobicContact CB-CD1 4.09Å; F287-V292 HydrophobicContact CD2-CG2 4.4Å; F287-V292 HydrophobicContact CE2-CG2 3.44Å; F287-V292 VanDerWaalsContact CE2-CG2 3.44Å; F287-V292 HydrophobicContact CZ-CG2 4.03Å; F287-L305 HydrophobicContact CE1-CD2 4.33Å; F287-I323 HydrophobicContact CE1-CD1 4.37Å; F287-V325 HydrophobicContact CZ-CG2 4.3Å |
| 288 | D | 87.6 | Confident | 82.4 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 139.5 | -179.2 | -57.3 | -18.9 | 0 | 0 | 0 | 110.6 | Q264 Q265 S290 I291 | Q264-D288 CarbonylContact O-C 3.58Å; Q264-D288 WeakPolarHBondContact O-CA 3.41Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.29Å; Q265-D288 PolarHBondContact NE2-OD1 3.17Å; D288-S290 PolarHBondContact O-N 3.1Å; D288-I291 WeakPolarHBondContact O-CB 3.33Å; D288-I291 PolarHBondContact O-N 3.03Å; D288-I291 VanDerWaalsContact O-N 3.09Å |
| 289 | L | 86.2 | Confident | 83.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.2 | -174.3 | -72.1 | 166.5 | 0 | 0 | 0 | 113.6 | I205 M261 L262 Q264 L266 I291 V292 Y293 I327 | I205-L289 HydrophobicContact CD1-CD1 3.48Å; I205-L289 VanDerWaalsContact CD1-CD1 3.48Å; I205-L289 HydrophobicContact CD1-CD2 3.71Å; I205-L289 HydrophobicContact CD1-CG 4.23Å; I205-L289 HydrophobicContact CG1-CD2 4.16Å; I205-L289 HydrophobicContact CG2-CD2 4.16Å; M261-L289 HydrophobicContact SD-CB 3.91Å; M261-L289 HydrophobicContact SD-CD1 3.51Å; M261-L289 VanDerWaalsContact SD-CD1 3.51Å; M261-L289 HydrophobicContact SD-CG 4.33Å; L262-L289 HydrophobicContact CD2-CB 4.42Å; Q264-L289 HydrophobicContact CB-CD1 4.11Å; Q264-L289 PolarHBondContact O-N 2.47Å; L266-L289 HydrophobicContact CB-CD2 4.02Å; L289-I291 PolarHBondContact O-N 2.95Å; L289-I291 VanDerWaalsContact O-N 3.1Å; L289-V292 PolarHBondContact O-N 2.64Å; L289-Y293 PolarHBondContact O-N 2.86Å; L289-Y293 VanDerWaalsContact O-N 3.15Å; L289-I327 HydrophobicContact CB-CD1 3.92Å; L289-I327 HydrophobicContact CD2-CD1 3.91Å; L289-I327 VanDerWaalsContact O-CD1 3.24Å; L289-I327 WeakPolarHBondContact O-CD1 3.47Å |
| 290 | S | 84.1 | Confident | 85.1 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -44.5 | -39.8 | 169.2 | 40.8 | 0 | 0 | 0 | 0 | 113.1 | L262 D288 V292 Y293 E294 | L262-S290 VanDerWaalsContact O-CB 3.29Å; L262-S290 WeakPolarHBondContact O-CB 3.33Å; L262-S290 PolarHBondContact O-N 2.93Å; L262-S290 PolarHBondContact O-OG 2.85Å; D288-S290 PolarHBondContact O-N 3.1Å; S290-V292 VanDerWaalsContact C-N 3.32Å; S290-V292 PolarHBondContact O-N 3.32Å; S290-Y293 PolarHBondContact O-N 2.77Å; S290-E294 WeakPolarHBondContact O-CG 3.43Å; S290-E294 PolarHBondContact O-N 2.99Å |
| 291 | I | 84.6 | Confident | 85.4 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 40% | 0.395 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.4 | -38 | -177.2 | -63.7 | 165.7 | 0 | 0 | 0 | 111.8 | F287 D288 L289 C295 M300 | F287-I291 HydrophobicContact CB-CD1 4.09Å; D288-I291 WeakPolarHBondContact O-CB 3.33Å; D288-I291 PolarHBondContact O-N 3.03Å; D288-I291 VanDerWaalsContact O-N 3.09Å; L289-I291 PolarHBondContact O-N 2.95Å; L289-I291 VanDerWaalsContact O-N 3.1Å; I291-C295 PolarHBondContact O-SG 2.8Å; I291-M300 HydrophobicContact CG2-CE 4.06Å |
| 292 | V | 84.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -77.6 | -38.7 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | F287 L289 S290 E294 C295 H298 M300 V325 I327 | F287-V292 HydrophobicContact CD2-CG2 4.4Å; F287-V292 HydrophobicContact CE2-CG2 3.44Å; F287-V292 VanDerWaalsContact CE2-CG2 3.44Å; F287-V292 HydrophobicContact CZ-CG2 4.03Å; L289-V292 PolarHBondContact O-N 2.64Å; S290-V292 VanDerWaalsContact C-N 3.32Å; S290-V292 PolarHBondContact O-N 3.32Å; V292-E294 VanDerWaalsContact C-N 3.25Å; V292-E294 PolarHBondContact O-N 2.77Å; V292-C295 WeakPolarHBondContact O-CB 3.45Å; V292-C295 PolarHBondContact O-N 3.25Å; V292-C295 VanDerWaalsContact O-N 3.09Å; V292-H298 WeakPolarHBondContact CG1-O 3.24Å; V292-H298 CarbonylContact O-C 3.59Å; V292-M300 HydrophobicContact CG1-CB 4.09Å; V292-M300 HydrophobicContact CG2-CB 4.28Å; V292-M300 HydrophobicContact CG2-CE 3.78Å; V292-M300 HydrophobicContact CG2-SD 4.08Å; V292-V325 HydrophobicContact CG1-CB 4.22Å; V292-V325 HydrophobicContact CG1-CG1 4.06Å; V292-V325 HydrophobicContact CG2-CB 4.16Å; V292-V325 HydrophobicContact CG2-CG1 4.09Å; V292-I327 HydrophobicContact CB-CD1 3.75Å; V292-I327 HydrophobicContact CB-CG1 3.99Å; V292-I327 HydrophobicContact CG1-CD1 4.08Å; V292-I327 HydrophobicContact CG1-CG1 3.73Å |
| 293 | Y | 82.9 | Confident | 85.5 | Confident | 50 Ų | 50 | 50 Ų | 50 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -28.6 | 178.8 | -161.8 | -104.1 | 0 | 0 | 0 | 112.5 | F203 L262 L289 S290 C295 H298 I327 | F203-Y293 HydrophobicContact CD1-CE2 4.19Å; F203-Y293 HydrophobicContact CE1-CD2 4.5Å; F203-Y293 AromaticContact CE1-CE2 3.75Å; F203-Y293 HydrophobicContact CE1-CE2 3.75Å; L262-Y293 HydrophobicContact CD1-CD1 3.64Å; L262-Y293 HydrophobicContact CD1-CE1 4.22Å; L262-Y293 HydrophobicContact CD1-CG 4.04Å; L262-Y293 VanDerWaalsContact CD2-CB 3.44Å; L262-Y293 HydrophobicContact CD2-CD1 4.18Å; L262-Y293 HydrophobicContact CD2-CD2 4.19Å; L262-Y293 HydrophobicContact CD2-CG 3.69Å; L289-Y293 PolarHBondContact O-N 2.86Å; L289-Y293 VanDerWaalsContact O-N 3.15Å; S290-Y293 PolarHBondContact O-N 2.77Å; Y293-C295 VanDerWaalsContact C-N 3.3Å; Y293-H298 AromaticContact CD1-ND1 4Å; Y293-H298 HydrophobicContact CD2-CB 4.1Å; Y293-H298 AromaticContact CD2-CG 3.82Å; Y293-H298 AromaticContact CD2-ND1 3.54Å; Y293-H298 AromaticContact CE1-CE1 3.87Å; Y293-H298 HydrophobicContact CE2-CB 4.44Å; Y293-H298 AromaticContact CE2-CE1 3.83Å; Y293-H298 AromaticContact CE2-CG 3.81Å; Y293-H298 AromaticContact CE2-ND1 3.62Å; Y293-H298 AromaticContact CG-ND1 3.73Å; Y293-H298 AromaticContact CZ-CE1 3.67Å; Y293-H298 AromaticContact CZ-ND1 3.9Å; Y293-H298 PolarHBondContact O-CE1 2.79Å; Y293-H298 PolarHBondContact O-ND1 3.16Å; Y293-I327 HydrophobicContact CD2-CB 4.13Å; Y293-I327 HydrophobicContact CD2-CG2 3.72Å; Y293-I327 HydrophobicContact CE2-CG2 4.3Å |
| 294 | E | 83.5 | Confident | 85.5 | Confident | 118 Ų | 118 | 50 Ų | 50 | 55% | 0.551 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -8.1 | 175 | -69.5 | -176.1 | 158.2 | 0 | 0 | 114.1 | Y196 S290 V292 | Y196-E294 VanDerWaalsContact OH-CD 3.31Å; Y196-E294 PolarHBondContact OH-OE1 3.24Å; S290-E294 WeakPolarHBondContact O-CG 3.43Å; S290-E294 PolarHBondContact O-N 2.99Å; V292-E294 VanDerWaalsContact C-N 3.25Å; V292-E294 PolarHBondContact O-N 2.77Å |
| 295 | C | 82.6 | Confident | 85.5 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -75.3 | 158.4 | 174.6 | -67.2 | 0 | 0 | 0 | 0 | 111.6 | I291 V292 Y293 R297 H298 A299 | I291-C295 PolarHBondContact O-SG 2.8Å; V292-C295 WeakPolarHBondContact O-CB 3.45Å; V292-C295 PolarHBondContact O-N 3.25Å; V292-C295 VanDerWaalsContact O-N 3.09Å; Y293-C295 VanDerWaalsContact C-N 3.3Å; C295-R297 PolarHBondContact O-N 2.79Å; C295-H298 WeakPolarHBondContact O-CA 3.24Å; C295-H298 PolarHBondContact O-N 3.31Å; C295-A299 WeakPolarHBondContact CB-O 3.5Å |
| 296 | D | 77.4 | Confident | 85.4 | Confident | 151 Ų | 151 | 49.3 Ų | 49.3 | 81% | 0.807 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -53.4 | 130.3 | 175.3 | -81.4 | -15.7 | 0 | 0 | 0 | 111.3 | H298 A299 | D296-H298 PolarHBondContact O-N 2.85Å; D296-A299 PolarHBondContact O-N 3.36Å |
| 297 | R | 77.9 | Confident | 85.3 | Confident | 189 Ų | 189 | 43.9 Ų | 43.9 | 71% | 0.713 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | 56.1 | 26.1 | -175.1 | -52.5 | -176 | 176.1 | -161.6 | -4 | 114.2 | C295 A299 | C295-R297 PolarHBondContact O-N 2.79Å; R297-A299 PolarHBondContact O-N 2.75Å; R297-A299 VanDerWaalsContact O-N 3.09Å |
| 298 | H | 86 | Confident | 85.1 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 20% | 0.199 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | 55.2 | 30.4 | -178.3 | -51.3 | -56.1 | 0 | 0 | 0 | 112.3 | V292 Y293 C295 D296 I327 D332 | V292-H298 WeakPolarHBondContact CG1-O 3.24Å; V292-H298 CarbonylContact O-C 3.59Å; Y293-H298 AromaticContact CD1-ND1 4Å; Y293-H298 HydrophobicContact CD2-CB 4.1Å; Y293-H298 AromaticContact CD2-CG 3.82Å; Y293-H298 AromaticContact CD2-ND1 3.54Å; Y293-H298 AromaticContact CE1-CE1 3.87Å; Y293-H298 HydrophobicContact CE2-CB 4.44Å; Y293-H298 AromaticContact CE2-CE1 3.83Å; Y293-H298 AromaticContact CE2-CG 3.81Å; Y293-H298 AromaticContact CE2-ND1 3.62Å; Y293-H298 AromaticContact CG-ND1 3.73Å; Y293-H298 AromaticContact CZ-CE1 3.67Å; Y293-H298 AromaticContact CZ-ND1 3.9Å; Y293-H298 PolarHBondContact O-CE1 2.79Å; Y293-H298 PolarHBondContact O-ND1 3.16Å; C295-H298 WeakPolarHBondContact O-CA 3.24Å; C295-H298 PolarHBondContact O-N 3.31Å; D296-H298 PolarHBondContact O-N 2.85Å; H298-I327 HydrophobicContact CB-CB 4.47Å; H298-I327 WeakPolarHBondContact CB-O 3.39Å; H298-I327 PolarHBondContact O-N 2.97Å; H298-D332 IonicContact CD2-OD1 3.35Å; H298-D332 IonicContact CD2-OD2 3.56Å; H298-D332 PolarHBondContact CD2-OD2 3.31Å; H298-D332 IonicContact NE2-OD1 2.63Å; H298-D332 IonicContact NE2-OD2 3.84Å |
| 299 | A | 86.2 | Confident | 84.9 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C295 D296 R297 V325 V326 P335 | C295-A299 WeakPolarHBondContact CB-O 3.5Å; D296-A299 PolarHBondContact O-N 3.36Å; R297-A299 PolarHBondContact O-N 2.75Å; R297-A299 VanDerWaalsContact O-N 3.09Å; A299-V325 WeakPolarHBondContact CA-O 3.42Å; A299-V326 HydrophobicContact CB-CB 4.48Å; A299-V326 HydrophobicContact CB-CG1 4.26Å; A299-V326 HydrophobicContact CB-CG2 3.99Å; A299-P335 HydrophobicContact CB-CG 3.66Å |
| 300 | M | 86.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 98.2 | -177.7 | 179.5 | -175.9 | -77.6 | 0 | 0 | 107.6 | I291 V292 K303 S324 V325 L353 | I291-M300 HydrophobicContact CG2-CE 4.06Å; V292-M300 HydrophobicContact CG1-CB 4.09Å; V292-M300 HydrophobicContact CG2-CB 4.28Å; V292-M300 HydrophobicContact CG2-CE 3.78Å; V292-M300 HydrophobicContact CG2-SD 4.08Å; M300-K303 HydrophobicContact CG-CB 3.92Å; M300-K303 HydrophobicContact CG-CD 4.38Å; M300-K303 HydrophobicContact CG-CG 3.16Å; M300-K303 HydrophobicContact SD-CB 4.15Å; M300-K303 HydrophobicContact SD-CG 3.86Å; M300-S324 CarbonylContact O-C 3.35Å; M300-S324 WeakPolarHBondContact O-CA 3.46Å; M300-V325 HydrophobicContact CB-CB 4.49Å; M300-V325 PolarHBondContact N-O 3.33Å; M300-V325 PolarHBondContact O-N 3.05Å; M300-L353 HydrophobicContact CE-CD1 3.55Å; M300-L353 HydrophobicContact SD-CD1 3.33Å; M300-L353 WeakPolarHBondContact SD-CD1 3.35Å |
| 301 | L | 85.3 | Confident | 83.9 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.6 | -173.3 | -55.8 | 178.8 | 0 | 0 | 0 | 111.4 | K303 S324 V326 M337 | L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 2.61Å; L301-S324 WeakPolarHBondContact CA-OG 3.34Å; L301-V326 HydrophobicContact CD2-CG2 4.24Å; L301-M337 HydrophobicContact CD2-CG 4.13Å |
| 302 | N | 84 | Confident | 83.3 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 42.1 | 174.5 | -56 | -17.8 | 0 | 0 | 0 | 113.2 | I210 I323 S324 E346 N351 | I210-N302 VanDerWaalsContact CD1-OD1 3.27Å; I210-N302 WeakPolarHBondContact CD1-OD1 3.37Å; N302-I323 CarbonylContact C-O 3.58Å; N302-I323 VanDerWaalsContact CA-O 3.3Å; N302-I323 WeakPolarHBondContact CA-O 3.47Å; N302-I323 PolarHBondContact N-O 3.23Å; N302-I323 VanDerWaalsContact N-O 3.17Å; N302-S324 PolarHBondContact N-OG 2.87Å; N302-S324 PolarHBondContact OD1-OG 2.65Å; N302-E346 PolarHBondContact ND2-OE1 2.86Å; N302-N351 PolarHBondContact O-ND2 3.14Å |
| 303 | K | 87.7 | Confident | 82.4 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 26% | 0.261 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 142.5 | 176.4 | -68.3 | -56.6 | 174.8 | -175.9 | 0 | 111.4 | M300 L301 K322 I323 N351 L353 | M300-K303 HydrophobicContact CG-CB 3.92Å; M300-K303 HydrophobicContact CG-CD 4.38Å; M300-K303 HydrophobicContact CG-CG 3.16Å; M300-K303 HydrophobicContact SD-CB 4.15Å; M300-K303 HydrophobicContact SD-CG 3.86Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 2.61Å; K303-K322 WeakPolarHBondContact O-CA 3.42Å; K303-I323 PolarHBondContact N-O 3.1Å; K303-I323 PolarHBondContact O-N 3.14Å; K303-N351 WeakPolarHBondContact CD-OD1 3.41Å; K303-N351 WeakPolarHBondContact CE-OD1 3.29Å; K303-N351 PolarHBondContact NZ-OD1 2.82Å; K303-L353 HydrophobicContact CB-CD1 4.21Å; K303-L353 HydrophobicContact CG-CD1 4.47Å |
| 304 | W | 88.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.9 | 171.7 | -71.4 | 99.1 | 0 | 0 | 0 | 110.6 | E211 R213 L321 K322 N351 L352 L353 M439 | E211-W304 HydrophobicContact CG-CH2 3.7Å; E211-W304 HydrophobicContact CG-CZ2 4.32Å; E211-W304 HydrophobicContact CG-CZ3 4.45Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.42Å; E211-W304 WeakPolarHBondContact OE1-CZ2 3.11Å; R213-W304 HydrophobicContact CB-CH2 4.32Å; R213-W304 HydrophobicContact CB-CZ3 4.26Å; R213-W304 VanDerWaalsContact CD-CH2 3.4Å; R213-W304 HydrophobicContact CG-CH2 3.62Å; R213-W304 HydrophobicContact CG-CZ3 4.04Å; R213-W304 VanDerWaalsContact NE-CH2 3.28Å; W304-L321 CarbonylContact C-O 3.24Å; W304-L321 WeakPolarHBondContact CA-O 3.29Å; W304-K322 HydrophobicContact CD2-CB 3.9Å; W304-K322 HydrophobicContact CD2-CG 4.09Å; W304-K322 HydrophobicContact CE3-CB 3.71Å; W304-K322 HydrophobicContact CE3-CG 4.41Å; W304-K322 HydrophobicContact CH2-CB 3.74Å; W304-K322 HydrophobicContact CH2-CD 4.2Å; W304-K322 HydrophobicContact CH2-CG 4.37Å; W304-K322 HydrophobicContact CZ2-CB 3.9Å; W304-K322 HydrophobicContact CZ2-CD 3.69Å; W304-K322 HydrophobicContact CZ2-CG 4.02Å; W304-K322 HydrophobicContact CZ3-CB 3.66Å; W304-N351 PolarHBondContact N-O 3.02Å; W304-N351 VanDerWaalsContact N-O 3.11Å; W304-L352 HydrophobicContact CB-CD1 3.7Å; W304-L352 WeakPolarHBondContact O-CA 3.42Å; W304-L353 PolarHBondContact O-N 3.07Å; W304-M439 HydrophobicContact CB-CE 4.38Å; W304-M439 HydrophobicContact CB-CG 4.04Å; W304-M439 VanDerWaalsContact CD1-CE 3.45Å; W304-M439 HydrophobicContact CD2-CG 3.79Å; W304-M439 HydrophobicContact CD2-SD 4.05Å; W304-M439 HydrophobicContact CE3-CG 4.34Å; W304-M439 HydrophobicContact CG-CE 4Å; W304-M439 HydrophobicContact CG-CG 3.65Å; W304-M439 HydrophobicContact CG-SD 3.78Å; W304-M439 PolarHBondContact NE1-SD 2.81Å; W304-M439 VanDerWaalsContact NE1-SD 3.35Å |
| 305 | L | 90.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138 | 171.6 | -48.5 | -177.2 | 0 | 0 | 0 | 109.4 | F268 F285 F287 Y320 L321 I323 L353 | F268-L305 HydrophobicContact CB-CD1 4.11Å; F268-L305 HydrophobicContact CD1-CD1 4.25Å; F268-L305 HydrophobicContact CD2-CD1 3.46Å; F268-L305 VanDerWaalsContact CD2-CD1 3.46Å; F268-L305 HydrophobicContact CE2-CD1 3.89Å; F268-L305 HydrophobicContact CG-CD1 3.67Å; F268-L305 HydrophobicContact CZ-CD1 4.43Å; F285-L305 HydrophobicContact CB-CB 4.12Å; F285-L305 HydrophobicContact CB-CD1 4.12Å; F285-L305 HydrophobicContact CD1-CB 3.99Å; F285-L305 HydrophobicContact CD1-CD1 3.83Å; F285-L305 HydrophobicContact CD1-CD2 3.85Å; F285-L305 HydrophobicContact CD1-CG 4.11Å; F285-L305 HydrophobicContact CD2-CB 4.2Å; F285-L305 HydrophobicContact CE1-CB 4.44Å; F285-L305 HydrophobicContact CE1-CD2 3.79Å; F285-L305 HydrophobicContact CG-CB 3.86Å; F285-L305 HydrophobicContact CG-CD1 4.18Å; F285-L305 HydrophobicContact CG-CG 4.44Å; F285-L305 HydrophobicContact CZ-CD2 4.44Å; F287-L305 HydrophobicContact CE1-CD2 4.33Å; L305-Y320 VanDerWaalsContact O-CA 3.27Å; L305-Y320 WeakPolarHBondContact O-CA 3.3Å; L305-L321 HydrophobicContact CB-CB 4.38Å; L305-L321 HydrophobicContact CD1-CD2 4.26Å; L305-L321 PolarHBondContact N-O 3.1Å; L305-L321 PolarHBondContact O-N 2.95Å; L305-I323 HydrophobicContact CD1-CD1 3.82Å; L305-I323 HydrophobicContact CD1-CG1 4.19Å; L305-I323 HydrophobicContact CD1-CG2 4.06Å; L305-I323 HydrophobicContact CD2-CD1 3.78Å; L305-I323 HydrophobicContact CD2-CG1 3.99Å; L305-I323 HydrophobicContact CG-CD1 4.01Å; L305-I323 HydrophobicContact CG-CG1 3.99Å; L305-I323 HydrophobicContact CG-CG2 4.38Å; L305-L353 HydrophobicContact CD2-CB 4.12Å; L305-L353 HydrophobicContact CD2-CD1 3.9Å |
| 306 | L | 88.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 100.4 | 173 | -179.7 | 69.6 | 0 | 0 | 0 | 111.3 | F285 A317 Y320 L352 L353 R354 V358 L360 | F285-L306 WeakPolarHBondContact CD2-O 3.33Å; L306-A317 HydrophobicContact CD1-CB 3.58Å; L306-A317 HydrophobicContact CG-CB 4.29Å; L306-Y320 HydrophobicContact CD1-CD1 4.09Å; L306-Y320 HydrophobicContact CD1-CE1 3.43Å; L306-Y320 VanDerWaalsContact CD1-CE1 3.43Å; L306-L352 HydrophobicContact CB-CD1 4.17Å; L306-L353 PolarHBondContact N-O 3.23Å; L306-R354 HydrophobicContact CD2-CG 4.23Å; L306-V358 HydrophobicContact CD2-CG1 4.03Å; L306-L360 HydrophobicContact CD1-CD2 3.91Å; L306-L360 HydrophobicContact CD2-CD2 3.62Å; L306-L360 HydrophobicContact CD2-CG 4Å; L306-L360 HydrophobicContact CG-CD2 4.44Å |
| 307 | L | 88.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 141.9 | 179.3 | -57.2 | 174 | 0 | 0 | 0 | 111.1 | L215 V270 F285 K318 G319 L321 | L215-L307 HydrophobicContact CD2-CD1 3.65Å; V270-L307 HydrophobicContact CB-CD1 4.22Å; V270-L307 HydrophobicContact CG2-CD1 3.66Å; V270-L307 HydrophobicContact CG2-CD2 4.36Å; F285-L307 HydrophobicContact CB-CD2 4.11Å; L307-K318 HydrophobicContact CB-CB 4.17Å; L307-K318 PolarHBondContact O-N 3.2Å; L307-G319 WeakPolarHBondContact CB-O 3.32Å; L307-G319 PolarHBondContact N-O 3.4Å; L307-L321 HydrophobicContact CD1-CB 4.48Å; L307-L321 HydrophobicContact CD2-CB 4.26Å; L307-L321 HydrophobicContact CG-CB 4.44Å |
| 308 | C | 84.6 | Confident | 80.9 | Confident | 13 Ų | 13 | 43 Ų | 43 | 9% | 0.088 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 164.5 | 174.2 | 62.4 | 0 | 0 | 0 | 0 | 111 | S284 P310 P355 V358 | S284-C308 PolarHBondContact N-O 3.42Å; S284-C308 PolarHBondContact O-N 3.15Å; S284-C308 VanDerWaalsContact O-O 3.12Å; S284-C308 PolarHBondContact O-SG 2.91Å; S284-C308 VanDerWaalsContact O-SG 3.4Å; C308-P310 WeakPolarHBondContact O-CD 3.26Å; C308-P355 HydrophobicContact CB-CG 4.46Å; C308-V358 HydrophobicContact CB-CG2 4.41Å |
| 309 | N | 82.9 | Confident | 80.9 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | trans | -76.5 | 118.9 | 167.5 | -173.1 | -16.9 | 0 | 0 | 0 | 108.9 | E311 D312 S315 | N309-E311 VanDerWaalsContact C-N 3.25Å; N309-E311 PolarHBondContact O-N 3.02Å; N309-E311 PolarHBondContact OD1-N 2.68Å; N309-D312 CarbonylContact O-C 3.56Å; N309-D312 PolarHBondContact O-N 2.83Å; N309-S315 WeakPolarHBondContact CB-OG 3.46Å | ||
| 310 | P | 74.5 | Confident | 81 | Confident | 74 Ų | 74 | 40.4 Ų | 40.4 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -66.4 | -24.9 | -179.5 | 27.1 | -34.3 | 0 | 0 | 0 | 113.5 | L281 C308 | L281-P310 HydrophobicContact CD2-CG 4.3Å; C308-P310 WeakPolarHBondContact O-CD 3.26Å |
| 311 | E | 74.6 | Confident | 81.3 | Confident | 176 Ų | 176 | 40.1 Ų | 40.1 | 82% | 0.822 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -83 | -24 | 177.9 | -61.9 | -171.6 | 168 | 0 | 0 | 112.6 | N309 | N309-E311 VanDerWaalsContact C-N 3.25Å; N309-E311 PolarHBondContact O-N 3.02Å; N309-E311 PolarHBondContact OD1-N 2.68Å |
| 312 | D | 72.2 | Confident | 81.6 | Confident | 74 Ų | 74 | 37.1 Ų | 37.1 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | trans | -139.8 | 83.3 | 177.8 | -176.2 | 8.3 | 0 | 0 | 0 | 111.1 | N309 M314 S315 | N309-D312 CarbonylContact O-C 3.56Å; N309-D312 PolarHBondContact O-N 2.83Å; D312-M314 PolarHBondContact O-N 2.8Å; D312-M314 VanDerWaalsContact O-N 3.14Å; D312-M314 WeakPolarHBondContact OD1-CB 3.4Å; D312-M314 PolarHBondContact OD1-N 3.03Å; D312-M314 VanDerWaalsContact OD1-N 3.1Å; D312-S315 VanDerWaalsContact O-CB 3.24Å; D312-S315 WeakPolarHBondContact O-CB 3.49Å; D312-S315 PolarHBondContact O-N 3.44Å; D312-S315 PolarHBondContact O-OG 3Å; D312-S315 PolarHBondContact OD1-N 2.95Å; D312-S315 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 313 | P | 65.7 | Low | 82 | Confident | 68 Ų | 68 | 36.3 Ų | 36.3 | 44% | 0.442 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -61.2 | -20.4 | 176.6 | -21.7 | 32.7 | 0 | 0 | 0 | 113.3 | S315 V358 | P313-S315 VanDerWaalsContact C-N 3.29Å; P313-V358 HydrophobicContact CB-CG2 4.24Å |
| 314 | M | 69.4 | Low | 82.2 | Confident | 159 Ų | 159 | 33.4 Ų | 33.4 | 78% | 0.783 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -80.2 | -12.6 | 178.2 | -59 | -56.7 | -61.9 | 0 | 0 | 112.3 | D312 G316 | D312-M314 PolarHBondContact O-N 2.8Å; D312-M314 VanDerWaalsContact O-N 3.14Å; D312-M314 WeakPolarHBondContact OD1-CB 3.4Å; D312-M314 PolarHBondContact OD1-N 3.03Å; D312-M314 VanDerWaalsContact OD1-N 3.1Å; M314-G316 PolarHBondContact O-N 2.98Å; M314-G316 VanDerWaalsContact O-N 3.13Å |
| 315 | S | 70.2 | Confident | 82.4 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -66 | -7.6 | 174.5 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | N309 D312 P313 K318 | N309-S315 WeakPolarHBondContact CB-OG 3.46Å; D312-S315 VanDerWaalsContact O-CB 3.24Å; D312-S315 WeakPolarHBondContact O-CB 3.49Å; D312-S315 PolarHBondContact O-N 3.44Å; D312-S315 PolarHBondContact O-OG 3Å; D312-S315 PolarHBondContact OD1-N 2.95Å; D312-S315 WeakPolarHBondContact OD2-CB 3.37Å; P313-S315 VanDerWaalsContact C-N 3.29Å; S315-K318 WeakPolarHBondContact OG-CE 3.39Å |
| 316 | G | 70.9 | Confident | 82.3 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 27% | 0.268 | 19% | 0.189 | S | C | . | . | trans | 84 | -166.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M314 | M314-G316 PolarHBondContact O-N 2.98Å; M314-G316 VanDerWaalsContact O-N 3.13Å | ||
| 317 | A | 79.1 | Confident | 82.2 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 139.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L306 P437 F472 | L306-A317 HydrophobicContact CD1-CB 3.58Å; L306-A317 HydrophobicContact CG-CB 4.29Å; A317-P437 HydrophobicContact CB-CG 3.53Å; A317-F472 WeakPolarHBondContact O-CE1 3.4Å |
| 318 | K | 83.9 | Confident | 81.8 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 7% | 0.065 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 1.4 | -178 | -60 | -60.4 | -176.2 | -171.7 | 0 | 114 | Q216 I282 L307 S315 D474 | Q216-K318 PolarHBondContact N-O 3.28Å; Q216-K318 VanDerWaalsContact N-O 3.12Å; I282-K318 WeakPolarHBondContact O-CB 3.43Å; I282-K318 WeakPolarHBondContact O-CG 3.49Å; L307-K318 HydrophobicContact CB-CB 4.17Å; L307-K318 PolarHBondContact O-N 3.2Å; S315-K318 WeakPolarHBondContact OG-CE 3.39Å; K318-D474 IonicContact NZ-OD1 3.56Å |
| 319 | G | 85.4 | Confident | 81.3 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.9 | -176.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q214 L307 | Q214-G319 WeakPolarHBondContact O-CA 3.39Å; L307-G319 WeakPolarHBondContact CB-O 3.32Å; L307-G319 PolarHBondContact N-O 3.4Å |
| 320 | Y | 88.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141 | -177.5 | -58.4 | -87.5 | 0 | 0 | 0 | 111.5 | A212 R213 Q214 L305 L306 L352 P437 M439 | A212-Y320 CarbonylContact C-O 3.6Å; A212-Y320 WeakPolarHBondContact CA-O 3.36Å; A212-Y320 WeakPolarHBondContact CB-O 3.42Å; R213-Y320 PolarHBondContact N-O 3.11Å; R213-Y320 PolarHBondContact O-N 2.88Å; Q214-Y320 HydrophobicContact CB-CD2 4.3Å; L305-Y320 VanDerWaalsContact O-CA 3.27Å; L305-Y320 WeakPolarHBondContact O-CA 3.3Å; L306-Y320 HydrophobicContact CD1-CD1 4.09Å; L306-Y320 HydrophobicContact CD1-CE1 3.43Å; L306-Y320 VanDerWaalsContact CD1-CE1 3.43Å; Y320-L352 HydrophobicContact CD1-CD1 3.63Å; Y320-L352 HydrophobicContact CE1-CD1 3.8Å; Y320-L352 HydrophobicContact CE1-CD2 3.9Å; Y320-P437 HydrophobicContact CE2-CB 4.36Å; Y320-P437 HydrophobicContact CE2-CG 4.41Å; Y320-P437 WeakPolarHBondContact OH-CG 3.23Å; Y320-P437 PolarHBondContact OH-O 2.5Å; Y320-M439 HydrophobicContact CD1-CB 3.84Å; Y320-M439 HydrophobicContact CD1-CG 4.04Å; Y320-M439 HydrophobicContact CE1-CB 3.73Å; Y320-M439 HydrophobicContact CE1-CG 4.44Å; Y320-M439 HydrophobicContact CG-CB 4.27Å; Y320-M439 HydrophobicContact CG-CG 4.28Å |
| 321 | L | 92.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 125.5 | 175.2 | -174.2 | 70.5 | 0 | 0 | 0 | 110 | V209 A212 W246 F268 W304 L305 L307 I323 | V209-L321 HydrophobicContact CG1-CD1 3.85Å; V209-L321 HydrophobicContact CG1-CG 4.5Å; A212-L321 HydrophobicContact CB-CD1 3.92Å; W246-L321 HydrophobicContact CH2-CD1 4.47Å; W246-L321 HydrophobicContact CZ3-CD1 3.77Å; F268-L321 HydrophobicContact CB-CD2 3.9Å; F268-L321 HydrophobicContact CD1-CD2 3.78Å; F268-L321 HydrophobicContact CG-CD2 4.11Å; W304-L321 CarbonylContact C-O 3.24Å; W304-L321 WeakPolarHBondContact CA-O 3.29Å; L305-L321 HydrophobicContact CB-CB 4.38Å; L305-L321 HydrophobicContact CD1-CD2 4.26Å; L305-L321 PolarHBondContact N-O 3.1Å; L305-L321 PolarHBondContact O-N 2.95Å; L307-L321 HydrophobicContact CD1-CB 4.48Å; L307-L321 HydrophobicContact CD2-CB 4.26Å; L307-L321 HydrophobicContact CG-CB 4.44Å; L321-I323 HydrophobicContact CD2-CG2 3.87Å; L321-I323 HydrophobicContact CG-CG2 3.87Å |
| 322 | K | 92 | Very high | 79.7 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.6 | 176.5 | -162.3 | -176.1 | -168.3 | 171 | 0 | 110.3 | I210 E211 K303 W304 E346 | I210-K322 HydrophobicContact CB-CB 4.31Å; I210-K322 HydrophobicContact CB-CD 4.3Å; I210-K322 HydrophobicContact CB-CG 4.42Å; I210-K322 HydrophobicContact CD1-CD 4.31Å; I210-K322 HydrophobicContact CD1-CG 4.25Å; I210-K322 HydrophobicContact CG2-CD 4.26Å; I210-K322 PolarHBondContact N-O 3.3Å; E211-K322 HydrophobicContact CG-CB 3.85Å; E211-K322 HydrophobicContact CG-CD 3.86Å; E211-K322 WeakPolarHBondContact O-CB 3.45Å; E211-K322 PolarHBondContact O-N 2.78Å; E211-K322 IonicContact OE1-NZ 3.36Å; K303-K322 WeakPolarHBondContact O-CA 3.42Å; W304-K322 HydrophobicContact CD2-CB 3.9Å; W304-K322 HydrophobicContact CD2-CG 4.09Å; W304-K322 HydrophobicContact CE3-CB 3.71Å; W304-K322 HydrophobicContact CE3-CG 4.41Å; W304-K322 HydrophobicContact CH2-CB 3.74Å; W304-K322 HydrophobicContact CH2-CD 4.2Å; W304-K322 HydrophobicContact CH2-CG 4.37Å; W304-K322 HydrophobicContact CZ2-CB 3.9Å; W304-K322 HydrophobicContact CZ2-CD 3.69Å; W304-K322 HydrophobicContact CZ2-CG 4.02Å; W304-K322 HydrophobicContact CZ3-CB 3.66Å; K322-E346 VanDerWaalsContact CE-OE2 3.28Å; K322-E346 WeakPolarHBondContact CE-OE2 3.28Å; K322-E346 IonicContact NZ-OE2 3.76Å; K322-E346 PolarHBondContact NZ-OE2 2.92Å |
| 323 | I | 92.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 167.1 | -176.6 | 69.1 | 158.2 | 0 | 0 | 0 | 112.3 | K208 F268 F287 N302 K303 L305 L321 V325 | K208-I323 CarbonylContact O-C 3.6Å; K208-I323 WeakPolarHBondContact O-CA 3.37Å; K208-I323 WeakPolarHBondContact O-CB 3.35Å; F268-I323 HydrophobicContact CD1-CG2 4.16Å; F268-I323 HydrophobicContact CE1-CB 4.46Å; F268-I323 HydrophobicContact CE1-CD1 4.1Å; F268-I323 HydrophobicContact CE1-CG2 3.78Å; F268-I323 HydrophobicContact CE2-CD1 3.81Å; F268-I323 HydrophobicContact CZ-CD1 3.46Å; F268-I323 VanDerWaalsContact CZ-CD1 3.46Å; F268-I323 HydrophobicContact CZ-CG2 4.28Å; F287-I323 HydrophobicContact CE1-CD1 4.37Å; N302-I323 CarbonylContact C-O 3.58Å; N302-I323 VanDerWaalsContact CA-O 3.3Å; N302-I323 WeakPolarHBondContact CA-O 3.47Å; N302-I323 PolarHBondContact N-O 3.23Å; N302-I323 VanDerWaalsContact N-O 3.17Å; K303-I323 PolarHBondContact N-O 3.1Å; K303-I323 PolarHBondContact O-N 3.14Å; L305-I323 HydrophobicContact CD1-CD1 3.82Å; L305-I323 HydrophobicContact CD1-CG1 4.19Å; L305-I323 HydrophobicContact CD1-CG2 4.06Å; L305-I323 HydrophobicContact CD2-CD1 3.78Å; L305-I323 HydrophobicContact CD2-CG1 3.99Å; L305-I323 HydrophobicContact CG-CD1 4.01Å; L305-I323 HydrophobicContact CG-CG1 3.99Å; L305-I323 HydrophobicContact CG-CG2 4.38Å; L321-I323 HydrophobicContact CD2-CG2 3.87Å; L321-I323 HydrophobicContact CG-CG2 3.87Å; I323-V325 HydrophobicContact CD1-CG2 3.41Å; I323-V325 VanDerWaalsContact CD1-CG2 3.41Å; I323-V325 HydrophobicContact CG1-CG2 4.4Å |
| 324 | S | 91.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131 | 160.8 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | V207 K208 M300 L301 N302 | V207-S324 CarbonylContact C-O 3.5Å; V207-S324 WeakPolarHBondContact CA-O 3.5Å; K208-S324 PolarHBondContact N-O 3Å; K208-S324 PolarHBondContact O-N 3.3Å; M300-S324 CarbonylContact O-C 3.35Å; M300-S324 WeakPolarHBondContact O-CA 3.46Å; L301-S324 WeakPolarHBondContact CA-OG 3.34Å; N302-S324 PolarHBondContact N-OG 2.87Å; N302-S324 PolarHBondContact OD1-OG 2.65Å |
| 325 | V | 91.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.3 | 178.1 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | I205 R206 V207 L266 F268 F287 V292 A299 M300 I323 | I205-V325 HydrophobicContact CG2-CG1 3.86Å; R206-V325 CarbonylContact O-C 3.52Å; R206-V325 WeakPolarHBondContact O-CA 3.25Å; V207-V325 HydrophobicContact CG1-CG2 4.43Å; V207-V325 HydrophobicContact CG2-CG1 4.24Å; V207-V325 HydrophobicContact CG2-CG2 4.36Å; L266-V325 HydrophobicContact CD2-CG1 4.01Å; L266-V325 HydrophobicContact CD2-CG2 3.95Å; F268-V325 HydrophobicContact CZ-CG2 4.31Å; F287-V325 HydrophobicContact CZ-CG2 4.3Å; V292-V325 HydrophobicContact CG1-CB 4.22Å; V292-V325 HydrophobicContact CG1-CG1 4.06Å; V292-V325 HydrophobicContact CG2-CB 4.16Å; V292-V325 HydrophobicContact CG2-CG1 4.09Å; A299-V325 WeakPolarHBondContact CA-O 3.42Å; M300-V325 HydrophobicContact CB-CB 4.49Å; M300-V325 PolarHBondContact N-O 3.33Å; M300-V325 PolarHBondContact O-N 3.05Å; I323-V325 HydrophobicContact CD1-CG2 3.41Å; I323-V325 VanDerWaalsContact CD1-CG2 3.41Å; I323-V325 HydrophobicContact CG1-CG2 4.4Å |
| 326 | V | 88.4 | Confident | 78.7 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | I205 R206 A299 L301 L328 P335 M337 | I205-V326 CarbonylContact C-O 3.57Å; I205-V326 WeakPolarHBondContact CA-O 3.5Å; R206-V326 HydrophobicContact CB-CB 4.18Å; R206-V326 HydrophobicContact CG-CB 4.46Å; R206-V326 PolarHBondContact N-O 2.74Å; R206-V326 PolarHBondContact O-N 2.7Å; A299-V326 HydrophobicContact CB-CB 4.48Å; A299-V326 HydrophobicContact CB-CG1 4.26Å; A299-V326 HydrophobicContact CB-CG2 3.99Å; L301-V326 HydrophobicContact CD2-CG2 4.24Å; V326-L328 HydrophobicContact CG1-CD2 3.68Å; V326-L328 HydrophobicContact CG1-CG 3.93Å; V326-P335 HydrophobicContact CG1-CG 3.97Å; V326-P335 HydrophobicContact CG2-CG 3.96Å; V326-M337 HydrophobicContact CG2-SD 4.4Å |
| 327 | I | 87.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.4 | 170.1 | -55 | -172 | 0 | 0 | 0 | 107.1 | F203 Q204 I205 M261 L289 V292 Y293 H298 | F203-I327 HydrophobicContact CB-CG2 4.4Å; F203-I327 HydrophobicContact CD1-CG2 4.07Å; Q204-I327 CarbonylContact O-C 3.53Å; Q204-I327 WeakPolarHBondContact O-CA 3.23Å; I205-I327 HydrophobicContact CG1-CD1 4.41Å; I205-I327 HydrophobicContact CG1-CG1 4.03Å; I205-I327 HydrophobicContact CG1-CG2 4.33Å; M261-I327 HydrophobicContact CE-CD1 4.48Å; M261-I327 HydrophobicContact CE-CG2 3.66Å; L289-I327 HydrophobicContact CB-CD1 3.92Å; L289-I327 HydrophobicContact CD2-CD1 3.91Å; L289-I327 VanDerWaalsContact O-CD1 3.24Å; L289-I327 WeakPolarHBondContact O-CD1 3.47Å; V292-I327 HydrophobicContact CB-CD1 3.75Å; V292-I327 HydrophobicContact CB-CG1 3.99Å; V292-I327 HydrophobicContact CG1-CD1 4.08Å; V292-I327 HydrophobicContact CG1-CG1 3.73Å; Y293-I327 HydrophobicContact CD2-CB 4.13Å; Y293-I327 HydrophobicContact CD2-CG2 3.72Å; Y293-I327 HydrophobicContact CE2-CG2 4.3Å; H298-I327 HydrophobicContact CB-CB 4.47Å; H298-I327 WeakPolarHBondContact CB-O 3.39Å; H298-I327 PolarHBondContact O-N 2.97Å |
| 328 | L | 79.7 | Confident | 77.4 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.7 | 175.4 | -60 | 174.5 | 0 | 0 | 0 | 107.1 | F203 Q204 V326 D332 A334 | F203-L328 CarbonylContact C-O 3.5Å; F203-L328 VanDerWaalsContact CA-O 3.28Å; F203-L328 WeakPolarHBondContact CA-O 3.45Å; Q204-L328 HydrophobicContact CB-CB 4.5Å; Q204-L328 PolarHBondContact N-O 2.8Å; Q204-L328 PolarHBondContact O-N 2.8Å; V326-L328 HydrophobicContact CG1-CD2 3.68Å; V326-L328 HydrophobicContact CG1-CG 3.93Å; L328-D332 HydrophobicContact CB-CB 4.47Å; L328-D332 HydrophobicContact CD2-CB 3.92Å; L328-A334 HydrophobicContact CD1-CB 3.89Å; L328-A334 HydrophobicContact CD2-CB 4.4Å |
| 329 | G | 75.5 | Confident | 76 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | trans | -92.1 | 177.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111 | G331 D332 | G329-G331 PolarHBondContact O-N 3.24Å; G329-G331 VanDerWaalsContact O-N 3.17Å; G329-D332 WeakPolarHBondContact CA-OD2 3.25Å; G329-D332 PolarHBondContact N-OD2 3.12Å; G329-D332 WeakPolarHBondContact O-CB 3.42Å; G329-D332 PolarHBondContact O-N 2.63Å; G329-D332 VanDerWaalsContact O-N 3.14Å | ||
| 330 | P | 64.7 | Low | 74.2 | Confident | 29 Ų | 29 | 42 Ų | 42 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -22.6 | 105.8 | 157.9 | -46.2 | 39.8 | 0 | 0 | 0 | 119.7 | Q201 D202 D332 S1580 | Q201-P330 HydrophobicContact CB-CG 4Å; Q201-P330 HydrophobicContact CG-CG 4.23Å; D202-P330 WeakPolarHBondContact O-CD 3.03Å; P330-D332 VanDerWaalsContact C-N 3.34Å; P330-S1580 WeakPolarHBondContact CB-O 3.41Å; P330-S1580 WeakPolarHBondContact CG-O 3.35Å |
| 331 | G | 63 | Low | 72.3 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 74% | 0.742 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 7.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G329 | G329-G331 PolarHBondContact O-N 3.24Å; G329-G331 VanDerWaalsContact O-N 3.17Å |
| 332 | D | 69.9 | Low | 70.3 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 130.6 | 176.9 | -68.1 | -33.1 | 0 | 0 | 0 | 112.3 | H298 L328 G329 P330 | H298-D332 IonicContact CD2-OD1 3.35Å; H298-D332 IonicContact CD2-OD2 3.56Å; H298-D332 PolarHBondContact CD2-OD2 3.31Å; H298-D332 IonicContact NE2-OD1 2.63Å; H298-D332 IonicContact NE2-OD2 3.84Å; L328-D332 HydrophobicContact CB-CB 4.47Å; L328-D332 HydrophobicContact CD2-CB 3.92Å; G329-D332 WeakPolarHBondContact CA-OD2 3.25Å; G329-D332 PolarHBondContact N-OD2 3.12Å; G329-D332 WeakPolarHBondContact O-CB 3.42Å; G329-D332 PolarHBondContact O-N 2.63Å; G329-D332 VanDerWaalsContact O-N 3.14Å; P330-D332 VanDerWaalsContact C-N 3.34Å |
| 333 | E | 62.5 | Low | 68.4 | Low | 179 Ų | 179 | 57.4 Ų | 57.4 | 84% | 0.836 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 130.4 | 171.6 | -75.8 | -173.2 | 174.6 | 0 | 0 | 112.2 | P335 | E333-P335 WeakPolarHBondContact O-CD 3.4Š|
| 334 | A | 65.3 | Low | 66.7 | Low | 43 Ų | 43 | 63 Ų | 63 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 124.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L328 | L328-A334 HydrophobicContact CD1-CB 3.89Å; L328-A334 HydrophobicContact CD2-CB 4.4Å |
| 335 | P | 67.2 | Low | 65.2 | Low | 19 Ų | 19 | 69.7 Ų | 69.7 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 150.2 | 174.4 | 26.5 | -30.9 | 0 | 0 | 0 | 113 | A299 V326 E333 M337 | A299-P335 HydrophobicContact CB-CG 3.66Å; V326-P335 HydrophobicContact CG1-CG 3.97Å; V326-P335 HydrophobicContact CG2-CG 3.96Å; E333-P335 WeakPolarHBondContact O-CD 3.4Å; P335-M337 PolarHBondContact O-N 3.2Å |
| 336 | I | 61.9 | Low | 63.7 | Low | 137 Ų | 137 | 70.5 Ų | 70.5 | 70% | 0.703 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 118.7 | 177.9 | -56.4 | 171.1 | 0 | 0 | 0 | 110.2 | K338 | I336-K338 HydrophobicContact CG2-CD 4.39Å; I336-K338 HydrophobicContact CG2-CG 3.96Å; I336-K338 PolarHBondContact O-N 2.94Å; I336-K338 VanDerWaalsContact O-N 3.16Å |
| 337 | M | 63.9 | Low | 62.5 | Low | 42 Ų | 42 | 71.1 Ų | 71.1 | 21% | 0.207 | 39% | 0.389 | C | S | . | . | trans | -88.4 | 65.3 | -178.5 | -56.3 | 174.7 | 79.8 | 0 | 0 | 112.7 | K208 L301 V326 P335 | K208-M337 HydrophobicContact CB-CE 3.36Å; K208-M337 HydrophobicContact CD-CE 4.12Å; K208-M337 HydrophobicContact CG-CE 4.36Å; L301-M337 HydrophobicContact CD2-CG 4.13Å; V326-M337 HydrophobicContact CG2-SD 4.4Å; P335-M337 PolarHBondContact O-N 3.2Å | ||
| 338 | K | 57.7 | Low | 61.6 | Low | 171 Ų | 171 | 73.3 Ų | 73.3 | 74% | 0.743 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 146.4 | 173.5 | -83.3 | -176.2 | 179.5 | -175 | 0 | 112.3 | I336 | I336-K338 HydrophobicContact CG2-CD 4.39Å; I336-K338 HydrophobicContact CG2-CG 3.96Å; I336-K338 PolarHBondContact O-N 2.94Å; I336-K338 VanDerWaalsContact O-N 3.16Å |
| 339 | V | 54.1 | Low | 61.1 | Low | 72 Ų | 72 | 75 Ų | 75 | 44% | 0.436 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 126.3 | 168.7 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 340 | G | 48.2 | Very low | 60.7 | Low | 33 Ų | 33 | 77.5 Ų | 77.5 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 142.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S342 | G340-S342 PolarHBondContact O-N 2.74Å; G340-S342 VanDerWaalsContact O-N 3.1Å |
| 341 | E | 49.2 | Very low | 61.3 | Low | 199 Ų | 199 | 76.8 Ų | 76.8 | 93% | 0.93 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -73.4 | 6.2 | -179.6 | -70.3 | -173.9 | 156.4 | 0 | 0 | 114.3 | ||
| 342 | S | 50.5 | Low | 62.2 | Low | 51 Ų | 51 | 74.3 Ų | 74.3 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | trans | -128.3 | 79.1 | -169.7 | 164.5 | 0 | 0 | 0 | 0 | 111.3 | G340 E344 K345 | G340-S342 PolarHBondContact O-N 2.74Å; G340-S342 VanDerWaalsContact O-N 3.1Å; S342-E344 PolarHBondContact O-N 2.63Å; S342-K345 PolarHBondContact O-N 3.42Å | ||
| 343 | D | 52.4 | Low | 62.8 | Low | 78 Ų | 78 | 74 Ų | 74 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -44.2 | -37.8 | 171.7 | -68.3 | -19 | 0 | 0 | 0 | 112.4 | K345 E346 D347 | D343-K345 VanDerWaalsContact C-N 3.27Å; D343-K345 PolarHBondContact O-N 3.4Å; D343-E346 PolarHBondContact O-N 3.06Å; D343-D347 PolarHBondContact O-N 3.03Å; D343-D347 VanDerWaalsContact O-N 3.08Å |
| 344 | E | 56.6 | Low | 63.6 | Low | 117 Ų | 117 | 71.9 Ų | 71.9 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.1 | -32.2 | -177.1 | -66.8 | -175.2 | 161.6 | 0 | 0 | 113.6 | S342 K444 | S342-E344 PolarHBondContact O-N 2.63Å; E344-K444 IonicContact OE1-NZ 3.77Å; E344-K444 PolarHBondContact OE1-NZ 2.65Å |
| 345 | K | 60.2 | Low | 64 | Low | 141 Ų | 141 | 70.8 Ų | 70.8 | 61% | 0.613 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -83.1 | -23.7 | 178.2 | -72.8 | -169.7 | 177.3 | -160.2 | 0 | 112.6 | S342 D343 I348 | S342-K345 PolarHBondContact O-N 3.42Å; D343-K345 VanDerWaalsContact C-N 3.27Å; D343-K345 PolarHBondContact O-N 3.4Å; K345-I348 WeakPolarHBondContact O-CG1 3.19Å |
| 346 | E | 60 | Low | 64 | Low | 17 Ų | 17 | 75 Ų | 75 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -85.3 | -24.3 | -177.7 | -62.1 | -173.2 | 156 | 0 | 0 | 111.8 | N302 K322 D343 I348 N351 | N302-E346 PolarHBondContact ND2-OE1 2.86Å; K322-E346 VanDerWaalsContact CE-OE2 3.28Å; K322-E346 WeakPolarHBondContact CE-OE2 3.28Å; K322-E346 IonicContact NZ-OE2 3.76Å; K322-E346 PolarHBondContact NZ-OE2 2.92Å; D343-E346 PolarHBondContact O-N 3.06Å; E346-I348 VanDerWaalsContact C-N 3.29Å; E346-I348 PolarHBondContact O-N 3.41Å; E346-N351 PolarHBondContact O-ND2 2.8Å |
| 347 | D | 62.4 | Low | 64.2 | Low | 13 Ų | 13 | 72.1 Ų | 72.1 | 7% | 0.07 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -86.6 | 28.4 | 179.4 | -83.5 | 14.8 | 0 | 0 | 0 | 113.8 | R213 D343 A409 M439 C440 | R213-D347 IonicContact CZ-OD1 2.76Å; R213-D347 IonicContact NH1-OD1 3.16Å; R213-D347 PolarHBondContact NH1-OD1 2.93Å; R213-D347 IonicContact NH1-OD2 2.78Å; R213-D347 PolarHBondContact NH1-OD2 2.92Å; R213-D347 IonicContact NH2-OD1 3.75Å; D343-D347 PolarHBondContact O-N 3.03Å; D343-D347 VanDerWaalsContact O-N 3.08Å; D347-A409 WeakPolarHBondContact O-CA 3.48Å; D347-M439 HydrophobicContact CB-SD 4.5Å; D347-C440 HydrophobicContact CB-CB 4.38Å |
| 348 | I | 68 | Low | 64.4 | Low | 47 Ų | 47 | 70.8 Ų | 70.8 | 24% | 0.241 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -93.6 | 142.4 | 174.1 | 63.3 | 179.1 | 0 | 0 | 0 | 111.3 | K345 E346 G350 N351 M439 | K345-I348 WeakPolarHBondContact O-CG1 3.19Å; E346-I348 VanDerWaalsContact C-N 3.29Å; E346-I348 PolarHBondContact O-N 3.41Å; I348-G350 PolarHBondContact O-N 3.27Å; I348-G350 VanDerWaalsContact O-N 3.08Å; I348-N351 HydrophobicContact CG1-CB 3.88Å; I348-N351 VanDerWaalsContact O-CB 3.29Å; I348-N351 WeakPolarHBondContact O-CB 3.28Å; I348-N351 PolarHBondContact O-N 3.38Å; I348-M439 WeakPolarHBondContact O-CE 3.42Å |
| 349 | E | 69.2 | Low | 64.8 | Low | 52 Ų | 52 | 70.8 Ų | 70.8 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -57.5 | -27.7 | 179.8 | -70.6 | 179.5 | 161.7 | 0 | 0 | 112.7 | N351 L352 A409 K411 Q435 | E349-N351 PolarHBondContact O-N 2.64Å; E349-L352 PolarHBondContact O-N 2.93Å; E349-A409 HydrophobicContact CG-CB 4.01Å; E349-K411 IonicContact OE2-NZ 2.68Å; E349-K411 PolarHBondContact OE2-NZ 3Å; E349-Q435 WeakPolarHBondContact OE1-CG 3.34Å; E349-Q435 PolarHBondContact OE1-N 2.84Å |
| 350 | G | 67 | Low | 65.7 | Low | 62 Ų | 62 | 67.9 Ų | 67.9 | 64% | 0.639 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -67.6 | -11.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I348 | I348-G350 PolarHBondContact O-N 3.27Å; I348-G350 VanDerWaalsContact O-N 3.08Å |
| 351 | N | 77.9 | Confident | 67.1 | Low | 15 Ų | 15 | 73.8 Ų | 73.8 | 8% | 0.08 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -93.5 | 3.1 | 178.4 | -157.7 | 43.7 | 0 | 0 | 0 | 113.5 | N302 K303 W304 E346 I348 E349 M439 | N302-N351 PolarHBondContact O-ND2 3.14Å; K303-N351 WeakPolarHBondContact CD-OD1 3.41Å; K303-N351 WeakPolarHBondContact CE-OD1 3.29Å; K303-N351 PolarHBondContact NZ-OD1 2.82Å; W304-N351 PolarHBondContact N-O 3.02Å; W304-N351 VanDerWaalsContact N-O 3.11Å; E346-N351 PolarHBondContact O-ND2 2.8Å; I348-N351 HydrophobicContact CG1-CB 3.88Å; I348-N351 VanDerWaalsContact O-CB 3.29Å; I348-N351 WeakPolarHBondContact O-CB 3.28Å; I348-N351 PolarHBondContact O-N 3.38Å; E349-N351 PolarHBondContact O-N 2.64Å; N351-M439 HydrophobicContact CB-CE 4.5Å |
| 352 | L | 82.1 | Confident | 68.6 | Low | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.9 | -177.8 | 179.5 | 67.9 | 0 | 0 | 0 | 112.5 | W304 L306 Y320 E349 R354 L360 | W304-L352 HydrophobicContact CB-CD1 3.7Å; W304-L352 WeakPolarHBondContact O-CA 3.42Å; L306-L352 HydrophobicContact CB-CD1 4.17Å; Y320-L352 HydrophobicContact CD1-CD1 3.63Å; Y320-L352 HydrophobicContact CE1-CD1 3.8Å; Y320-L352 HydrophobicContact CE1-CD2 3.9Å; E349-L352 PolarHBondContact O-N 2.93Å; L352-R354 HydrophobicContact CD2-CG 4.35Å; L352-R354 HydrophobicContact CG-CG 4.32Å; L352-L360 HydrophobicContact CD2-CD1 3.76Å |
| 353 | L | 83.1 | Confident | 70.4 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 134.4 | 171.2 | -59.8 | 176.6 | 0 | 0 | 0 | 110.5 | F285 M300 K303 W304 L305 L306 | F285-L353 HydrophobicContact CE1-CB 4.23Å; F285-L353 VanDerWaalsContact CE2-O 3.31Å; F285-L353 WeakPolarHBondContact CE2-O 3.49Å; F285-L353 HydrophobicContact CZ-CB 3.76Å; M300-L353 HydrophobicContact CE-CD1 3.55Å; M300-L353 HydrophobicContact SD-CD1 3.33Å; M300-L353 WeakPolarHBondContact SD-CD1 3.35Å; K303-L353 HydrophobicContact CB-CD1 4.21Å; K303-L353 HydrophobicContact CG-CD1 4.47Å; W304-L353 PolarHBondContact O-N 3.07Å; L305-L353 HydrophobicContact CD2-CB 4.12Å; L305-L353 HydrophobicContact CD2-CD1 3.9Å; L306-L353 PolarHBondContact N-O 3.23Å |
| 354 | R | 79.1 | Confident | 72.2 | Confident | 135 Ų | 135 | 59.9 Ų | 59.9 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | trans | -120 | 142.7 | -173.7 | -64.6 | 179.8 | -71.6 | -177.4 | -1.2 | 111 | F285 L306 L352 | F285-R354 VanDerWaalsContact CE2-C 3.49Å; L306-R354 HydrophobicContact CD2-CG 4.23Å; L352-R354 HydrophobicContact CD2-CG 4.35Å; L352-R354 HydrophobicContact CG-CG 4.32Å | ||
| 355 | P | 72.8 | Confident | 73.9 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 13% | 0.13 | 31% | 0.305 | C | S | . | . | trans | -67.6 | 150.8 | 174.6 | -8.4 | 22.8 | 0 | 0 | 0 | 110.8 | F285 C308 G357 V358 | F285-P355 HydrophobicContact CD2-CG 3.75Å; F285-P355 HydrophobicContact CE2-CB 4.34Å; F285-P355 VanDerWaalsContact CE2-CD 3.47Å; F285-P355 HydrophobicContact CE2-CG 3.69Å; C308-P355 HydrophobicContact CB-CG 4.46Å; P355-G357 PolarHBondContact O-N 3.01Å; P355-V358 HydrophobicContact CB-CB 4.13Å; P355-V358 HydrophobicContact CB-CG2 3.95Å; P355-V358 HydrophobicContact CG-CB 3.97Å; P355-V358 HydrophobicContact CG-CG1 4.46Å; P355-V358 HydrophobicContact CG-CG2 4Å; P355-V358 PolarHBondContact O-N 3.3Å | ||
| 356 | A | 67.2 | Low | 75.5 | Confident | 107 Ų | 107 | 49.5 Ų | 49.5 | 88% | 0.884 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 130.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V358 | A356-V358 VanDerWaalsContact C-N 3.27Å; A356-V358 PolarHBondContact O-N 2.91Å |
| 357 | G | 66.6 | Low | 77.2 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -16.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P355 Q359 | P355-G357 PolarHBondContact O-N 3.01Å; G357-Q359 PolarHBondContact O-N 3.43Å |
| 358 | V | 68.3 | Low | 78.8 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 9% | 0.085 | 28% | 0.278 | C | S | . | . | trans | -91.4 | 101.5 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | L306 C308 P313 P355 A356 | L306-V358 HydrophobicContact CD2-CG1 4.03Å; C308-V358 HydrophobicContact CB-CG2 4.41Å; P313-V358 HydrophobicContact CB-CG2 4.24Å; P355-V358 HydrophobicContact CB-CB 4.13Å; P355-V358 HydrophobicContact CB-CG2 3.95Å; P355-V358 HydrophobicContact CG-CB 3.97Å; P355-V358 HydrophobicContact CG-CG1 4.46Å; P355-V358 HydrophobicContact CG-CG2 4Å; P355-V358 PolarHBondContact O-N 3.3Å; A356-V358 VanDerWaalsContact C-N 3.27Å; A356-V358 PolarHBondContact O-N 2.91Å | ||
| 359 | Q | 65.6 | Low | 80.2 | Confident | 170 Ų | 170 | 46.1 Ų | 46.1 | 79% | 0.794 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 132.1 | 171.9 | -66.8 | -174.2 | -5.9 | 0 | 0 | 109.1 | G357 | G357-Q359 PolarHBondContact O-N 3.43Š|
| 360 | L | 74 | Confident | 81.4 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 138.3 | 164.2 | -67.8 | 173.5 | 0 | 0 | 0 | 107.4 | L306 L352 Q435 F436 | L306-L360 HydrophobicContact CD1-CD2 3.91Å; L306-L360 HydrophobicContact CD2-CD2 3.62Å; L306-L360 HydrophobicContact CD2-CG 4Å; L306-L360 HydrophobicContact CG-CD2 4.44Å; L352-L360 HydrophobicContact CD2-CD1 3.76Å; L360-Q435 HydrophobicContact CB-CB 3.86Å; L360-Q435 HydrophobicContact CD1-CB 3.62Å; L360-Q435 HydrophobicContact CD1-CG 4.47Å; L360-Q435 HydrophobicContact CG-CB 4.38Å; L360-F436 WeakPolarHBondContact CD2-O 3.44Å |
| 361 | R | 77.1 | Confident | 82.8 | Confident | 157 Ų | 157 | 41.6 Ų | 41.6 | 59% | 0.592 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130.9 | 177.6 | -70.1 | -175.7 | -169.9 | 167.5 | 5 | 107.8 | A363 F436 | R361-A363 PolarHBondContact O-N 2.84Å; R361-F436 PolarHBondContact N-O 3.35Å; R361-F436 PolarHBondContact O-N 3.02Å |
| 362 | P | 81.8 | Confident | 83.6 | Confident | 29 Ų | 29 | 40.9 Ų | 40.9 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 133.4 | 164.6 | -22 | 33.2 | 0 | 0 | 0 | 108.8 | L530 | P362-L530 PolarHBondContact O-N 2.81Å |
| 363 | A | 86.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 164.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | R361 I434 F436 T527 E528 L529 | R361-A363 PolarHBondContact O-N 2.84Å; A363-I434 HydrophobicContact CB-CD1 4.18Å; A363-I434 HydrophobicContact CB-CG1 3.89Å; A363-I434 PolarHBondContact N-O 3.16Å; A363-I434 VanDerWaalsContact O-CG1 3.32Å; A363-I434 WeakPolarHBondContact O-CG1 3.5Å; A363-I434 PolarHBondContact O-N 3.33Å; A363-F436 HydrophobicContact CB-CB 3.64Å; A363-F436 HydrophobicContact CB-CG 4.49Å; A363-T527 HydrophobicContact CB-CG2 4.42Å; A363-E528 CarbonylContact C-O 3.53Å; A363-E528 WeakPolarHBondContact CA-O 3.49Å; A363-E528 VanDerWaalsContact CB-O 3.3Å; A363-E528 WeakPolarHBondContact CB-O 3.21Å; A363-L529 HydrophobicContact CB-CD2 3.81Å |
| 364 | I | 90.5 | Very high | 84.4 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140 | 173.6 | 53.1 | 173.7 | 0 | 0 | 0 | 110.3 | K366 T431 M432 N433 T527 E528 L530 T534 | I364-K366 HydrophobicContact CD1-CD 4.27Å; I364-K366 VanDerWaalsContact CD1-CE 3.41Å; I364-K366 HydrophobicContact CD1-CG 3.88Å; I364-K366 HydrophobicContact CG1-CG 4.37Å; I364-T431 HydrophobicContact CB-CG2 4.01Å; I364-T431 HydrophobicContact CD1-CG2 3.94Å; I364-T431 HydrophobicContact CG2-CG2 3.92Å; I364-M432 WeakPolarHBondContact CA-O 3.33Å; I364-N433 WeakPolarHBondContact CG2-OD1 3.32Å; I364-T527 WeakPolarHBondContact O-CA 3.48Å; I364-E528 HydrophobicContact CD1-CB 4.32Å; I364-E528 HydrophobicContact CG1-CB 3.87Å; I364-E528 PolarHBondContact N-O 3.26Å; I364-E528 PolarHBondContact O-N 3.15Å; I364-E528 VanDerWaalsContact O-N 3.08Å; I364-L530 HydrophobicContact CB-CD1 4.5Å; I364-L530 HydrophobicContact CD1-CD1 3.79Å; I364-L530 HydrophobicContact CG1-CD1 3.86Å; I364-L530 HydrophobicContact CG1-CG 4.43Å; I364-L530 HydrophobicContact CG2-CD1 3.9Å; I364-T534 VanDerWaalsContact CG2-OG1 3.22Å; I364-T534 WeakPolarHBondContact CG2-OG1 3.32Å |
| 365 | F | 92.5 | Very high | 85 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115 | 155.3 | -73.9 | -22.2 | 0 | 0 | 0 | 108 | I367 F408 T431 M432 I434 I466 P481 L525 T527 | F365-I367 HydrophobicContact CB-CD1 4.37Å; F365-I367 HydrophobicContact CB-CG1 4.3Å; F365-F408 HydrophobicContact CD2-CD1 4.21Å; F365-F408 HydrophobicContact CD2-CE1 4.32Å; F365-F408 AromaticContact CE2-CD1 3.78Å; F365-F408 HydrophobicContact CE2-CD1 3.78Å; F365-F408 HydrophobicContact CE2-CD2 4.45Å; F365-F408 AromaticContact CE2-CE1 3.52Å; F365-F408 HydrophobicContact CE2-CE1 3.52Å; F365-F408 HydrophobicContact CE2-CE2 4.23Å; F365-F408 HydrophobicContact CE2-CG 4.24Å; F365-F408 AromaticContact CE2-CZ 3.75Å; F365-F408 HydrophobicContact CE2-CZ 3.75Å; F365-F408 HydrophobicContact CZ-CE1 4.2Å; F365-F408 HydrophobicContact CZ-CZ 4.21Å; F365-T431 WeakPolarHBondContact O-CA 3.26Å; F365-M432 HydrophobicContact CB-CB 4.49Å; F365-M432 PolarHBondContact N-O 2.96Å; F365-M432 PolarHBondContact O-N 2.92Å; F365-I434 HydrophobicContact CD1-CD1 3.58Å; F365-I434 HydrophobicContact CD1-CG1 4.5Å; F365-I434 HydrophobicContact CD2-CD1 4.19Å; F365-I434 HydrophobicContact CD2-CG2 3.84Å; F365-I434 HydrophobicContact CE1-CD1 3.37Å; F365-I434 HydrophobicContact CE2-CD1 4.01Å; F365-I434 HydrophobicContact CE2-CG2 4.15Å; F365-I434 HydrophobicContact CG-CD1 4Å; F365-I434 HydrophobicContact CG-CG2 4.27Å; F365-I434 HydrophobicContact CZ-CD1 3.61Å; F365-I466 HydrophobicContact CE2-CD1 4.18Å; F365-I466 HydrophobicContact CZ-CD1 3.92Å; F365-P481 HydrophobicContact CE1-CB 3.88Å; F365-P481 HydrophobicContact CE1-CG 4.14Å; F365-P481 HydrophobicContact CZ-CB 4.23Å; F365-P481 HydrophobicContact CZ-CG 4.39Å; F365-L525 HydrophobicContact CB-CD1 3.61Å; F365-L525 HydrophobicContact CD1-CD1 3.74Å; F365-L525 HydrophobicContact CD2-CD1 4.31Å; F365-L525 HydrophobicContact CE1-CD1 4.46Å; F365-L525 HydrophobicContact CG-CD1 3.65Å; F365-T527 HydrophobicContact CD1-CG2 4.28Å; F365-T527 WeakPolarHBondContact CD1-OG1 3.38Å; F365-T527 HydrophobicContact CE1-CG2 4.21Å; F365-T527 VanDerWaalsContact CE1-OG1 3.24Å; F365-T527 WeakPolarHBondContact CE1-OG1 3.3Å |
| 366 | K | 94.3 | Very high | 85.6 | Confident | 40 Ų | 40 | 32 Ų | 32 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 107.9 | 163.6 | -70.5 | -173.2 | -177.3 | 168.5 | 0 | 107.6 | I364 L368 L525 S526 E528 | I364-K366 HydrophobicContact CD1-CD 4.27Å; I364-K366 VanDerWaalsContact CD1-CE 3.41Å; I364-K366 HydrophobicContact CD1-CG 3.88Å; I364-K366 HydrophobicContact CG1-CG 4.37Å; K366-L368 HydrophobicContact CB-CD1 4.18Å; K366-L525 WeakPolarHBondContact O-CA 3.47Å; K366-S526 PolarHBondContact N-O 3.02Å; K366-S526 PolarHBondContact O-N 3.36Å; K366-E528 WeakPolarHBondContact CD-OE1 3.48Å; K366-E528 VanDerWaalsContact CE-CD 3.43Å; K366-E528 VanDerWaalsContact CE-OE1 3.3Å; K366-E528 WeakPolarHBondContact CE-OE1 3.13Å; K366-E528 WeakPolarHBondContact CE-OE2 3.25Å; K366-E528 IonicContact NZ-OE1 3.71Å; K366-E528 PolarHBondContact NZ-OE1 3.15Å; K366-E528 IonicContact NZ-OE2 3.77Å; K366-E528 PolarHBondContact NZ-OE2 2.88Å |
| 367 | I | 95.7 | Very high | 86 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 111.1 | 178.1 | -60.6 | 161.4 | 0 | 0 | 0 | 108 | F365 L369 V406 I430 L443 F445 E524 L525 | F365-I367 HydrophobicContact CB-CD1 4.37Å; F365-I367 HydrophobicContact CB-CG1 4.3Å; I367-L369 PolarHBondContact O-N 3.33Å; I367-V406 HydrophobicContact CD1-CG1 3.59Å; I367-I430 HydrophobicContact CB-CB 4.3Å; I367-I430 PolarHBondContact N-O 2.77Å; I367-I430 PolarHBondContact O-N 3.31Å; I367-L443 HydrophobicContact CD1-CD1 4.46Å; I367-L443 HydrophobicContact CD1-CD2 4.46Å; I367-F445 HydrophobicContact CD1-CE1 4.29Å; I367-F445 HydrophobicContact CD1-CZ 4.4Å; I367-F445 HydrophobicContact CG2-CE1 4.03Å; I367-F445 HydrophobicContact CG2-CZ 4.47Å; I367-E524 CarbonylContact C-O 3.54Å; I367-E524 WeakPolarHBondContact CA-O 3.29Å; I367-L525 HydrophobicContact CD1-CD1 4.46Å; I367-L525 HydrophobicContact CG1-CD1 3.64Å |
| 368 | L | 96.1 | Very high | 86.6 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 101.5 | 176.7 | -66.5 | 66.5 | 0 | 0 | 0 | 106.7 | K366 Y370 L523 E524 L541 K545 | K366-L368 HydrophobicContact CB-CD1 4.18Å; L368-Y370 HydrophobicContact CB-CE2 3.8Å; L368-Y370 VanDerWaalsContact CD2-OH 3.3Å; L368-Y370 WeakPolarHBondContact CD2-OH 3.28Å; L368-Y370 WeakPolarHBondContact O-CD2 3.22Å; L368-L523 VanDerWaalsContact O-CA 3.24Å; L368-L523 WeakPolarHBondContact O-CA 3.22Å; L368-E524 HydrophobicContact CB-CB 4.22Å; L368-E524 PolarHBondContact N-O 3.26Å; L368-E524 PolarHBondContact O-N 3.13Å; L368-L541 HydrophobicContact CB-CD1 4.28Å; L368-L541 HydrophobicContact CB-CD2 4.18Å; L368-L541 HydrophobicContact CD2-CD2 3.99Å; L368-L541 HydrophobicContact CG-CD2 3.77Å; L368-K545 HydrophobicContact CD2-CD 3.87Å |
| 369 | L | 96.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 103.1 | 176.9 | 179.9 | 64.6 | 0 | 0 | 0 | 108.5 | I367 A404 W426 N427 E428 I430 V521 | I367-L369 PolarHBondContact O-N 3.33Å; L369-A404 HydrophobicContact CD2-CB 3.63Å; L369-W426 HydrophobicContact CD1-CE3 4.08Å; L369-W426 HydrophobicContact CD1-CZ3 4.39Å; L369-W426 HydrophobicContact CD2-CB 4.06Å; L369-W426 HydrophobicContact CD2-CD2 3.74Å; L369-W426 HydrophobicContact CD2-CE3 3.88Å; L369-W426 HydrophobicContact CD2-CG 3.8Å; L369-W426 HydrophobicContact CG-CB 4.08Å; L369-W426 HydrophobicContact CG-CD2 4.11Å; L369-W426 HydrophobicContact CG-CE3 3.82Å; L369-W426 HydrophobicContact CG-CG 4.22Å; L369-N427 WeakPolarHBondContact O-CA 3.46Å; L369-N427 PolarHBondContact O-N 3.41Å; L369-N427 VanDerWaalsContact O-N 3.17Å; L369-E428 PolarHBondContact N-O 3.39Å; L369-E428 PolarHBondContact O-N 2.79Å; L369-I430 HydrophobicContact CB-CD1 4.47Å; L369-I430 HydrophobicContact CD2-CD1 4.23Å; L369-V521 HydrophobicContact CD1-CG2 3.46Å; L369-V521 VanDerWaalsContact CD1-CG2 3.46Å |
| 370 | Y | 95.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -69.2 | -177.2 | -63.8 | -80.3 | 0 | 0 | 0 | 110.7 | L368 W426 N427 L522 E524 L541 R548 I549 | L368-Y370 HydrophobicContact CB-CE2 3.8Å; L368-Y370 VanDerWaalsContact CD2-OH 3.3Å; L368-Y370 WeakPolarHBondContact CD2-OH 3.28Å; L368-Y370 WeakPolarHBondContact O-CD2 3.22Å; Y370-W426 PolarHBondContact O-N 3.46Å; Y370-N427 PolarHBondContact O-N 3.23Å; Y370-L522 HydrophobicContact CD2-CG 4.12Å; Y370-L522 HydrophobicContact CG-CG 4.49Å; Y370-L522 PolarHBondContact N-O 2.98Å; Y370-E524 HydrophobicContact CE2-CB 3.88Å; Y370-E524 PolarHBondContact OH-OE2 2.95Å; Y370-L541 HydrophobicContact CD1-CD1 3.75Å; Y370-L541 HydrophobicContact CE1-CD1 3.68Å; Y370-R548 PolarHBondContact OH-NH2 2.93Å; Y370-I549 HydrophobicContact CD1-CD1 3.67Å; Y370-I549 HydrophobicContact CD1-CG1 4.07Å; Y370-I549 HydrophobicContact CD1-CG2 3.9Å; Y370-I549 HydrophobicContact CD2-CG2 4.33Å; Y370-I549 HydrophobicContact CE1-CB 4.42Å; Y370-I549 HydrophobicContact CE1-CD1 4.32Å; Y370-I549 HydrophobicContact CE1-CG1 4.24Å; Y370-I549 HydrophobicContact CE1-CG2 3.39Å; Y370-I549 HydrophobicContact CE2-CG2 3.88Å; Y370-I549 HydrophobicContact CG-CD1 3.91Å; Y370-I549 HydrophobicContact CG-CG2 4.33Å |
| 371 | M | 95.3 | Very high | 84.8 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 9% | 0.094 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 161.7 | -172.2 | 63.3 | -171 | -63.9 | 0 | 0 | 111.9 | E373 P424 E425 V521 L522 L553 | M371-E373 HydrophobicContact CE-CG 3.96Å; M371-E373 WeakPolarHBondContact CE-OE1 3.47Å; M371-P424 CarbonylContact C-O 3.53Å; M371-P424 WeakPolarHBondContact CA-O 3.23Å; M371-P424 WeakPolarHBondContact CB-O 3.35Å; M371-E425 HydrophobicContact CB-CG 4.14Å; M371-E425 HydrophobicContact CE-CG 4.47Å; M371-V521 WeakPolarHBondContact O-CG2 3.49Å; M371-L522 HydrophobicContact CG-CB 4.12Å; M371-L522 HydrophobicContact CG-CD2 4.4Å; M371-L522 PolarHBondContact O-N 2.93Å; M371-L553 HydrophobicContact SD-CD1 4.18Å; M371-L553 HydrophobicContact SD-CD2 4Å |
| 372 | A | 95.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 161 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L375 H423 P424 W426 R520 V521 | A372-L375 HydrophobicContact CB-CD1 4.14Å; A372-L375 HydrophobicContact CB-CD2 4.17Å; A372-L375 HydrophobicContact CB-CG 4.21Å; A372-H423 CarbonylContact O-C 3.55Å; A372-H423 VanDerWaalsContact O-CA 3.26Å; A372-H423 WeakPolarHBondContact O-CA 3.38Å; A372-P424 HydrophobicContact CB-CG 3.91Å; A372-P424 PolarHBondContact N-O 2.88Å; A372-P424 WeakPolarHBondContact O-CD 3.36Å; A372-W426 HydrophobicContact CB-CH2 3.94Å; A372-W426 HydrophobicContact CB-CZ3 3.59Å; A372-R520 CarbonylContact C-O 3.5Å; A372-R520 WeakPolarHBondContact CA-O 3.44Å; A372-R520 VanDerWaalsContact CB-O 3.32Å; A372-R520 WeakPolarHBondContact CB-O 3.45Å; A372-V521 HydrophobicContact CB-CB 4.23Å; A372-V521 HydrophobicContact CB-CG2 4.41Å |
| 373 | E | 92.7 | Very high | 82.1 | Confident | 9 Ų | 9 | 27.2 Ų | 27.2 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156 | -179.7 | -61.3 | 175.5 | 168.8 | 0 | 0 | 109.8 | M371 L375 H423 F487 G519 R520 R555 | M371-E373 HydrophobicContact CE-CG 3.96Å; M371-E373 WeakPolarHBondContact CE-OE1 3.47Å; E373-L375 PolarHBondContact O-N 3.4Å; E373-H423 WeakPolarHBondContact CA-ND1 3.12Å; E373-F487 HydrophobicContact CG-CE1 4.29Å; E373-G519 VanDerWaalsContact O-CA 3.23Å; E373-G519 WeakPolarHBondContact O-CA 3.34Å; E373-R520 HydrophobicContact CB-CG 4.28Å; E373-R520 PolarHBondContact N-O 2.88Å; E373-R520 PolarHBondContact O-N 3Å; E373-R520 IonicContact OE2-CZ 2.72Å; E373-R520 IonicContact OE2-NE 2.83Å; E373-R520 PolarHBondContact OE2-NE 2.82Å; E373-R520 VanDerWaalsContact OE2-NE 3.08Å; E373-R520 IonicContact OE2-NH2 2.7Å; E373-R520 PolarHBondContact OE2-NH2 2.68Å; E373-R555 IonicContact OE1-NH2 2.99Å; E373-R555 PolarHBondContact OE1-NH2 2.94Å; E373-R555 IonicContact OE2-CZ 3.77Å; E373-R555 IonicContact OE2-NH1 3.13Å; E373-R555 IonicContact OE2-NH2 3.97Å; E373-R555 PolarHBondContact OE2-NH2 2.67Å |
| 374 | D | 90.3 | Very high | 80.2 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | trans | 63.6 | 24.6 | 171.1 | -60.9 | -19 | 0 | 0 | 0 | 114.4 | D422 H423 R495 Y517 N586 | D374-D422 PolarHBondContact N-O 2.92Å; D374-H423 PolarHBondContact N-CE1 3.05Å; D374-H423 IonicContact OD1-CE1 3Å; D374-H423 PolarHBondContact OD1-CE1 3.27Å; D374-R495 PolarHBondContact O-NH2 3.03Å; D374-Y517 HydrophobicContact CB-CE1 3.68Å; D374-Y517 PolarHBondContact OD2-OH 2.79Å; D374-N586 WeakPolarHBondContact CB-ND2 3.26Å; D374-N586 VanDerWaalsContact CG-ND2 3.35Å; D374-N586 PolarHBondContact OD1-ND2 3.11Å | ||
| 375 | L | 90 | Very high | 78.3 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 129.9 | -178.6 | -61.6 | -176.1 | 0 | 0 | 0 | 110.5 | A372 E373 V400 P402 D422 P424 I459 L490 | A372-L375 HydrophobicContact CB-CD1 4.14Å; A372-L375 HydrophobicContact CB-CD2 4.17Å; A372-L375 HydrophobicContact CB-CG 4.21Å; E373-L375 PolarHBondContact O-N 3.4Å; L375-V400 HydrophobicContact CB-CG1 3.94Å; L375-P402 HydrophobicContact CD1-CB 3.6Å; L375-P402 HydrophobicContact CD1-CG 3.84Å; L375-D422 HydrophobicContact CB-CB 4.49Å; L375-D422 WeakPolarHBondContact CB-O 3.42Å; L375-D422 PolarHBondContact N-O 3.18Å; L375-D422 VanDerWaalsContact N-O 3.1Å; L375-D422 VanDerWaalsContact O-CB 3.3Å; L375-D422 WeakPolarHBondContact O-CB 3.34Å; L375-P424 HydrophobicContact CD1-CG 3.67Å; L375-I459 HydrophobicContact CD2-CG2 4.27Å; L375-L490 HydrophobicContact CD2-CD1 4.14Å |
| 376 | P | 85.4 | Confident | 76.4 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 151.2 | -179.9 | 19.8 | -23.7 | 0 | 0 | 0 | 112.2 | M378 I459 R495 R518 | P376-M378 HydrophobicContact CG-SD 4.42Å; P376-I459 HydrophobicContact CG-CG2 3.84Å; P376-R495 VanDerWaalsContact CD-NH2 3.32Å; P376-R518 WeakPolarHBondContact CD-O 3.42Å; P376-R518 HydrophobicContact CG-CB 4.33Å; P376-R518 VanDerWaalsContact CG-CZ 3.46Å |
| 377 | R | 77.4 | Confident | 74.1 | Confident | 92 Ų | 92 | 36.5 Ų | 36.5 | 35% | 0.347 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -63.6 | 134.3 | 162.5 | -61.1 | 177.7 | 174.8 | 172.7 | -3.3 | 109.9 | E398 Y497 | R377-E398 WeakPolarHBondContact CD-O 3.17Å; R377-E398 PolarHBondContact NE-O 3.15Å; R377-Y497 HydrophobicContact CB-CE1 4.31Å |
| 378 | M | 77.7 | Confident | 71.7 | Confident | 40 Ų | 40 | 40 Ų | 40 | 20% | 0.197 | 21% | 0.214 | C | C | . | . | trans | -104.7 | -27.4 | 177.8 | -57.6 | -59.9 | -69.5 | 0 | 0 | 113.2 | P376 V400 D449 D457 P458 I459 R518 | P376-M378 HydrophobicContact CG-SD 4.42Å; M378-V400 HydrophobicContact CG-CG2 4.33Å; M378-D449 HydrophobicContact CB-CB 4.06Å; M378-D449 WeakPolarHBondContact CB-OD2 3.43Å; M378-D449 HydrophobicContact CG-CB 3.82Å; M378-D457 HydrophobicContact CB-CB 4.37Å; M378-D457 HydrophobicContact CE-CB 3.67Å; M378-P458 VanDerWaalsContact CE-O 3.31Å; M378-P458 WeakPolarHBondContact CE-O 3.39Å; M378-I459 HydrophobicContact CG-CG1 3.98Å; M378-I459 HydrophobicContact SD-CG1 4.18Å; M378-R518 PolarHBondContact SD-NH2 2.77Å | ||
| 379 | D | 64.5 | Low | 69.4 | Low | 30 Ų | 30 | 47.4 Ų | 47.4 | 16% | 0.16 | 25% | 0.253 | C | S | . | . | trans | -80.3 | 134.8 | -179.1 | -88.1 | -32.8 | 0 | 0 | 0 | 114 | K387 | D379-K387 IonicContact OD1-NZ 2.79Å; D379-K387 PolarHBondContact OD1-NZ 2.91Å; D379-K387 IonicContact OD2-NZ 3.76Å; D379-K387 PolarHBondContact OD2-NZ 2.88Å | ||
| 380 | S | 55.2 | Low | 67.1 | Low | 22 Ų | 22 | 53.2 Ų | 53.2 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | trans | -85.2 | 150.7 | 173.6 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | A382 F383 K384 | S380-A382 VanDerWaalsContact C-N 3.3Å; S380-A382 PolarHBondContact O-N 2.92Å; S380-F383 PolarHBondContact O-N 2.88Å; S380-F383 WeakPolarHBondContact OG-CD2 3.3Å; S380-K384 PolarHBondContact O-N 3.42Å | ||
| 381 | D | 50 | Low | 64.4 | Low | 121 Ų | 121 | 55 Ų | 55 | 65% | 0.647 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.5 | -31.3 | 179 | -75.6 | -28.1 | 0 | 0 | 0 | 113.1 | F383 K384 G385 | D381-F383 VanDerWaalsContact C-N 3.34Å; D381-K384 WeakPolarHBondContact O-CB 3.27Å; D381-K384 PolarHBondContact O-N 3.36Å; D381-K384 WeakPolarHBondContact OD1-CD 3.37Å; D381-K384 WeakPolarHBondContact OD1-CE 3.26Å; D381-K384 IonicContact OD1-NZ 3.13Å; D381-K384 PolarHBondContact OD1-NZ 2.83Å; D381-G385 PolarHBondContact O-N 3.48Å |
| 382 | A | 51.8 | Low | 61.9 | Low | 49 Ų | 49 | 61.8 Ų | 61.8 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S380 G385 D499 | S380-A382 VanDerWaalsContact C-N 3.3Å; S380-A382 PolarHBondContact O-N 2.92Å; A382-G385 PolarHBondContact O-N 3.11Å; A382-D499 VanDerWaalsContact CB-OD1 3.25Å; A382-D499 WeakPolarHBondContact CB-OD1 3.47Å |
| 383 | F | 50.8 | Low | 59.1 | Low | 112 Ų | 112 | 64.5 Ų | 64.5 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -78.4 | -21.3 | 175.4 | -82.3 | -91.2 | 0 | 0 | 0 | 113.2 | S380 D381 G385 I386 K387 | S380-F383 PolarHBondContact O-N 2.88Å; S380-F383 WeakPolarHBondContact OG-CD2 3.3Å; D381-F383 VanDerWaalsContact C-N 3.34Å; F383-G385 VanDerWaalsContact C-N 3.28Å; F383-G385 PolarHBondContact O-N 2.89Å; F383-I386 HydrophobicContact CD1-CD1 4.48Å; F383-I386 PolarHBondContact O-N 2.92Å; F383-K387 WeakPolarHBondContact O-CB 2.91Å; F383-K387 PolarHBondContact O-N 3.31Å |
| 384 | K | 48 | Very low | 56.7 | Low | 51 Ų | 51 | 72.1 Ų | 72.1 | 22% | 0.222 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.2 | -42.3 | 167.2 | -79.5 | -177.8 | -176.2 | 156.7 | 0 | 111.8 | S380 D381 I386 K387 N388 K397 | S380-K384 PolarHBondContact O-N 3.42Å; D381-K384 WeakPolarHBondContact O-CB 3.27Å; D381-K384 PolarHBondContact O-N 3.36Å; D381-K384 WeakPolarHBondContact OD1-CD 3.37Å; D381-K384 WeakPolarHBondContact OD1-CE 3.26Å; D381-K384 IonicContact OD1-NZ 3.13Å; D381-K384 PolarHBondContact OD1-NZ 2.83Å; K384-I386 VanDerWaalsContact C-N 3.31Å; K384-I386 PolarHBondContact O-N 3.42Å; K384-K387 PolarHBondContact O-N 2.56Å; K384-N388 WeakPolarHBondContact O-CB 3.39Å; K384-N388 PolarHBondContact O-N 3.01Å; K384-N388 PolarHBondContact O-OD1 3.21Å; K384-K397 VanDerWaalsContact CE-O 3.27Å; K384-K397 WeakPolarHBondContact CE-O 3.16Å |
| 385 | G | 50.2 | Low | 54.4 | Low | 45 Ų | 45 | 79 Ų | 79 | 46% | 0.464 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D381 A382 F383 L389 | D381-G385 PolarHBondContact O-N 3.48Å; A382-G385 PolarHBondContact O-N 3.11Å; F383-G385 VanDerWaalsContact C-N 3.28Å; F383-G385 PolarHBondContact O-N 2.89Å; G385-L389 WeakPolarHBondContact O-CB 3.27Å; G385-L389 PolarHBondContact O-N 2.86Å |
| 386 | I | 51.1 | Low | 52.2 | Low | 97 Ų | 97 | 83.6 Ų | 83.6 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.3 | -42.1 | 179.1 | -59.4 | 172.5 | 0 | 0 | 0 | 111.1 | F383 K384 L389 L390 | F383-I386 HydrophobicContact CD1-CD1 4.48Å; F383-I386 PolarHBondContact O-N 2.92Å; K384-I386 VanDerWaalsContact C-N 3.31Å; K384-I386 PolarHBondContact O-N 3.42Å; I386-L389 PolarHBondContact O-N 2.7Å; I386-L390 HydrophobicContact CG2-CD1 3.94Å; I386-L390 PolarHBondContact O-N 3.15Å |
| 387 | K | 46 | Very low | 50.5 | Low | 49 Ų | 49 | 87.1 Ų | 87.1 | 21% | 0.213 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.2 | -90.8 | 178.1 | 169.7 | 173.4 | 0 | 111.2 | D379 F383 K384 L389 L390 T391 D451 | D379-K387 IonicContact OD1-NZ 2.79Å; D379-K387 PolarHBondContact OD1-NZ 2.91Å; D379-K387 IonicContact OD2-NZ 3.76Å; D379-K387 PolarHBondContact OD2-NZ 2.88Å; F383-K387 WeakPolarHBondContact O-CB 2.91Å; F383-K387 PolarHBondContact O-N 3.31Å; K384-K387 PolarHBondContact O-N 2.56Å; K387-L389 VanDerWaalsContact C-N 3.34Å; K387-L389 PolarHBondContact O-N 2.72Å; K387-L390 CarbonylContact O-C 3.48Å; K387-L390 PolarHBondContact O-N 3.38Å; K387-T391 WeakPolarHBondContact O-CB 3.19Å; K387-T391 WeakPolarHBondContact O-CG2 3.49Å; K387-T391 PolarHBondContact O-N 2.78Å; K387-T391 PolarHBondContact O-OG1 3.02Å; K387-D451 IonicContact NZ-OD1 2.7Å; K387-D451 PolarHBondContact NZ-OD1 3.14Å |
| 388 | N | 47.2 | Very low | 49.5 | Very low | 74 Ų | 74 | 86.7 Ų | 86.7 | 40% | 0.396 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 175.3 | -72.2 | 1.6 | 0 | 0 | 0 | 111.6 | K384 L390 T391 | K384-N388 WeakPolarHBondContact O-CB 3.39Å; K384-N388 PolarHBondContact O-N 3.01Å; K384-N388 PolarHBondContact O-OD1 3.21Å; N388-L390 VanDerWaalsContact C-N 3.27Å; N388-L390 PolarHBondContact O-N 2.93Å; N388-T391 PolarHBondContact O-N 3.24Å |
| 389 | L | 47.7 | Very low | 49.1 | Very low | 159 Ų | 159 | 88.1 Ų | 88.1 | 83% | 0.832 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.2 | -29.2 | 175.9 | -149.2 | 109.5 | 0 | 0 | 0 | 112.6 | G385 I386 K387 | G385-L389 WeakPolarHBondContact O-CB 3.27Å; G385-L389 PolarHBondContact O-N 2.86Å; I386-L389 PolarHBondContact O-N 2.7Å; K387-L389 VanDerWaalsContact C-N 3.34Å; K387-L389 PolarHBondContact O-N 2.72Å |
| 390 | L | 46.8 | Very low | 49.9 | Very low | 123 Ų | 123 | 86.8 Ų | 86.8 | 64% | 0.644 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -90.9 | -8.3 | 177.7 | -74.4 | 160.7 | 0 | 0 | 0 | 113.6 | I386 K387 N388 | I386-L390 HydrophobicContact CG2-CD1 3.94Å; I386-L390 PolarHBondContact O-N 3.15Å; K387-L390 CarbonylContact O-C 3.48Å; K387-L390 PolarHBondContact O-N 3.38Å; N388-L390 VanDerWaalsContact C-N 3.27Å; N388-L390 PolarHBondContact O-N 2.93Å |
| 391 | T | 38.2 | Very low | 51.4 | Low | 39 Ų | 39 | 86.1 Ų | 86.1 | 24% | 0.239 | 46% | 0.46 | C | S | . | . | trans | -122.7 | 118.4 | -179.9 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | K387 N388 S393 | K387-T391 WeakPolarHBondContact O-CB 3.19Å; K387-T391 WeakPolarHBondContact O-CG2 3.49Å; K387-T391 PolarHBondContact O-N 2.78Å; K387-T391 PolarHBondContact O-OG1 3.02Å; N388-T391 PolarHBondContact O-N 3.24Å; T391-S393 PolarHBondContact O-N 2.89Å | ||
| 392 | T | 43.5 | Very low | 53.5 | Low | 160 Ų | 160 | 80.4 Ų | 80.4 | 98% | 0.982 | 43% | 0.429 | S | S | * | . | trans | -70.1 | 16.7 | 175 | 35.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 393 | S | 36.8 | Very low | 55.5 | Low | 58 Ų | 58 | 79 Ų | 79 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | trans | -100.7 | 113.3 | 175.8 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | T391 E395 | T391-S393 PolarHBondContact O-N 2.89Å; S393-E395 PolarHBondContact O-N 2.6Å | ||
| 394 | D | 41.7 | Very low | 57.6 | Low | 168 Ų | 168 | 73.6 Ų | 73.6 | 90% | 0.898 | 39% | 0.39 | S | S | * | . | trans | -66.2 | 11.1 | 174.6 | -74.5 | -37.1 | 0 | 0 | 0 | 113.9 | E396 | D394-E396 PolarHBondContact O-N 2.86Š| ||
| 395 | E | 42.5 | Very low | 59.8 | Low | 159 Ų | 159 | 73.2 Ų | 73.2 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | trans | -84 | 110.7 | -180 | -69.1 | -172 | 169.6 | 0 | 0 | 110.3 | S393 K397 | S393-E395 PolarHBondContact O-N 2.6Å; E395-K397 PolarHBondContact O-N 2.99Å | ||
| 396 | E | 44 | Very low | 61.9 | Low | 99 Ų | 99 | 71.1 Ų | 71.1 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | trans | -59.2 | 98.9 | 171.6 | -63.7 | 177.7 | 155.3 | 0 | 0 | 109.1 | D394 E398 S1118 | D394-E396 PolarHBondContact O-N 2.86Å; E396-E398 HydrophobicContact CB-CG 4.48Å; E396-E398 PolarHBondContact O-N 3.01Å; E396-S1118 WeakPolarHBondContact OE1-CB 3.48Å; E396-S1118 PolarHBondContact OE1-OG 3.27Å | ||
| 397 | K | 50.4 | Low | 63.7 | Low | 82 Ų | 82 | 67.7 Ų | 67.7 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | trans | -64.1 | 94.7 | 172.7 | -79.5 | -170.2 | 164.7 | -136.1 | 0 | 109.8 | K384 E395 D401 | K384-K397 VanDerWaalsContact CE-O 3.27Å; K384-K397 WeakPolarHBondContact CE-O 3.16Å; E395-K397 PolarHBondContact O-N 2.99Å; K397-D401 IonicContact NZ-OD2 3.93Å; K397-D401 PolarHBondContact NZ-OD2 2.77Å | ||
| 398 | E | 54.8 | Low | 65.7 | Low | 84 Ų | 84 | 65.5 Ų | 65.5 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | trans | -92 | -10.5 | -178.6 | -75.8 | -168.6 | 152.9 | 0 | 0 | 114.4 | R377 E396 | R377-E398 WeakPolarHBondContact CD-O 3.17Å; R377-E398 PolarHBondContact NE-O 3.15Å; E396-E398 HydrophobicContact CB-CG 4.48Å; E396-E398 PolarHBondContact O-N 3.01Å | ||
| 399 | F | 69.2 | Low | 67.2 | Low | 70 Ų | 70 | 62.4 Ų | 62.4 | 31% | 0.307 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -133.2 | -179.5 | -170.8 | -61.5 | -74.6 | 0 | 0 | 0 | 113.1 | G420 D422 | F399-G420 VanDerWaalsContact CB-C 3.44Å; F399-G420 WeakPolarHBondContact CD2-O 3.49Å; F399-D422 HydrophobicContact CD1-CB 4.16Å |
| 400 | V | 81.9 | Confident | 68.5 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | trans | -85.6 | 152 | 177.2 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | L375 M378 P402 G420 T421 D422 D449 I459 | L375-V400 HydrophobicContact CB-CG1 3.94Å; M378-V400 HydrophobicContact CG-CG2 4.33Å; V400-P402 HydrophobicContact CG1-CG 4.45Å; V400-P402 HydrophobicContact CG2-CB 4.42Å; V400-P402 WeakPolarHBondContact O-CD 3.34Å; V400-G420 PolarHBondContact O-N 3.43Å; V400-T421 WeakPolarHBondContact CG1-O 3.41Å; V400-T421 PolarHBondContact O-N 3.11Å; V400-D422 HydrophobicContact CG1-CB 4.35Å; V400-D449 HydrophobicContact CG2-CB 3.74Å; V400-I459 HydrophobicContact CG2-CD1 3.48Å; V400-I459 VanDerWaalsContact CG2-CD1 3.48Å; V400-I459 HydrophobicContact CG2-CG1 4.22Å | ||
| 401 | D | 86.8 | Confident | 70.2 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | trans | -107.5 | 65.5 | 175.8 | -67.2 | -35.2 | 0 | 0 | 0 | 110.8 | K397 T417 K418 Y419 G420 D449 W450 | K397-D401 IonicContact NZ-OD2 3.93Å; K397-D401 PolarHBondContact NZ-OD2 2.77Å; D401-T417 HydrophobicContact CB-CG2 4.35Å; D401-K418 CarbonylContact C-O 3.55Å; D401-K418 WeakPolarHBondContact CA-O 3.23Å; D401-Y419 HydrophobicContact CB-CD1 4.18Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.39Å; D401-G420 PolarHBondContact OD1-N 3.18Å; D401-D449 WeakPolarHBondContact CA-OD1 3.23Å; D401-D449 WeakPolarHBondContact CB-OD1 3.49Å; D401-D449 PolarHBondContact N-OD1 3.46Å; D401-W450 HydrophobicContact CB-CB 4.09Å; D401-W450 WeakPolarHBondContact O-CB 3.12Å; D401-W450 PolarHBondContact O-N 3.45Å | ||
| 402 | P | 93.4 | Very high | 72.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 143.9 | -163.3 | 30.4 | -38.4 | 0 | 0 | 0 | 114.1 | L375 V400 K418 T421 P424 W426 F448 I459 | L375-P402 HydrophobicContact CD1-CB 3.6Å; L375-P402 HydrophobicContact CD1-CG 3.84Å; V400-P402 HydrophobicContact CG1-CG 4.45Å; V400-P402 HydrophobicContact CG2-CB 4.42Å; V400-P402 WeakPolarHBondContact O-CD 3.34Å; P402-K418 WeakPolarHBondContact CD-O 3.27Å; P402-K418 HydrophobicContact CG-CB 4.45Å; P402-K418 PolarHBondContact O-N 3.08Å; P402-T421 WeakPolarHBondContact CD-O 3.14Å; P402-P424 HydrophobicContact CB-CG 4.27Å; P402-P424 HydrophobicContact CG-CB 3.63Å; P402-P424 HydrophobicContact CG-CG 3.54Å; P402-W426 HydrophobicContact CB-CH2 4.42Å; P402-W426 HydrophobicContact CB-CZ2 4.09Å; P402-W426 HydrophobicContact CG-CZ2 4.34Å; P402-F448 VanDerWaalsContact CA-O 3.28Å; P402-F448 WeakPolarHBondContact CA-O 3.47Å; P402-I459 HydrophobicContact CB-CD1 4.1Å |
| 403 | Y | 94.8 | Very high | 74.9 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 152.8 | 159.7 | 70 | -89.5 | 0 | 0 | 0 | 111 | K414 F447 F448 W450 N456 | Y403-K414 HydrophobicContact CD2-CD 3.63Å; Y403-K414 VanDerWaalsContact CD2-CE 3.43Å; Y403-K414 HydrophobicContact CD2-CG 3.69Å; Y403-K414 HydrophobicContact CE2-CD 3.73Å; Y403-K414 HydrophobicContact CE2-CG 4.14Å; Y403-K414 HydrophobicContact CG-CD 4.23Å; Y403-K414 VanDerWaalsContact CG-CE 3.49Å; Y403-K414 HydrophobicContact CG-CG 4.41Å; Y403-F447 WeakPolarHBondContact O-CA 3.39Å; Y403-F448 HydrophobicContact CD1-CB 4.04Å; Y403-F448 HydrophobicContact CD2-CB 4.49Å; Y403-F448 HydrophobicContact CE1-CB 3.42Å; Y403-F448 VanDerWaalsContact CE1-CB 3.42Å; Y403-F448 HydrophobicContact CE1-CG 4.35Å; Y403-F448 HydrophobicContact CE2-CB 3.92Å; Y403-F448 AromaticContact CE2-CD2 3.85Å; Y403-F448 HydrophobicContact CE2-CD2 3.85Å; Y403-F448 HydrophobicContact CE2-CG 4.19Å; Y403-F448 AromaticContact CZ-CD2 3.92Å; Y403-F448 AromaticContact CZ-CG 3.79Å; Y403-F448 PolarHBondContact N-O 3.3Å; Y403-F448 PolarHBondContact O-N 2.78Å; Y403-F448 WeakPolarHBondContact OH-CB 3.18Å; Y403-W450 HydrophobicContact CD1-CB 4.07Å; Y403-W450 HydrophobicContact CE1-CB 4.22Å; Y403-N456 HydrophobicContact CE1-CB 4.25Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.43Å; Y403-N456 PolarHBondContact OH-ND2 3.42Å |
| 404 | A | 94.6 | Very high | 77.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L369 K414 S415 F447 | L369-A404 HydrophobicContact CD2-CB 3.63Å; A404-K414 WeakPolarHBondContact O-CA 3.28Å; A404-S415 PolarHBondContact N-OG 2.91Å; A404-S415 PolarHBondContact O-N 3.31Å; A404-F447 HydrophobicContact CB-CD1 3.94Å; A404-F447 HydrophobicContact CB-CE1 3.48Å; A404-F447 VanDerWaalsContact CB-CE1 3.48Å; A404-F447 HydrophobicContact CB-CZ 3.99Å |
| 405 | L | 94.1 | Very high | 80 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 23% | 0.225 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 108.7 | 166.5 | -172.8 | 70.1 | 0 | 0 | 0 | 108 | K414 T446 F448 | L405-K414 HydrophobicContact CD1-CB 4.18Å; L405-T446 PolarHBondContact N-O 2.86Å; L405-T446 PolarHBondContact O-N 2.92Å; L405-F448 HydrophobicContact CB-CD2 4.21Å; L405-F448 HydrophobicContact CB-CE2 4.01Å; L405-F448 HydrophobicContact CD2-CE2 3.89Å |
| 406 | V | 93.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.6 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | I367 S412 I413 I430 M432 L443 K444 F445 | I367-V406 HydrophobicContact CD1-CG1 3.59Å; V406-S412 CarbonylContact O-C 3.41Å; V406-S412 WeakPolarHBondContact O-CA 3.47Å; V406-I413 PolarHBondContact N-O 2.62Å; V406-I413 PolarHBondContact O-N 3.03Å; V406-I430 HydrophobicContact CG2-CD1 3.77Å; V406-M432 HydrophobicContact CB-CE 3.99Å; V406-M432 HydrophobicContact CG1-CE 3.63Å; V406-L443 HydrophobicContact CG1-CD1 3.88Å; V406-K444 CarbonylContact C-O 3.47Å; V406-K444 WeakPolarHBondContact CA-O 3.21Å; V406-F445 HydrophobicContact CB-CD1 4.49Å; V406-F445 HydrophobicContact CB-CE1 4.44Å; V406-F445 HydrophobicContact CG1-CD1 4.25Å; V406-F445 HydrophobicContact CG1-CE1 3.84Å; V406-F445 HydrophobicContact CG1-CZ 4.47Å; V406-F445 HydrophobicContact CG2-CD1 3.86Å; V406-F445 HydrophobicContact CG2-CE1 3.87Å |
| 407 | S | 89.4 | Confident | 84.6 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.4 | -179.5 | -57.4 | 0 | 0 | 0 | 0 | 111 | K411 S412 K444 | S407-K411 VanDerWaalsContact CA-O 3.31Å; S407-K411 WeakPolarHBondContact CA-O 3.44Å; S407-S412 WeakPolarHBondContact CB-OG 3.4Å; S407-S412 PolarHBondContact OG-OG 3.08Å; S407-K444 PolarHBondContact N-O 2.83Å; S407-K444 PolarHBondContact O-N 2.97Å |
| 408 | F | 88.1 | Confident | 86.5 | Confident | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 135.8 | 177.7 | -173.1 | -111.7 | 0 | 0 | 0 | 110.5 | F365 G410 K411 M432 I434 S438 C440 L443 I466 | F365-F408 HydrophobicContact CD2-CD1 4.21Å; F365-F408 HydrophobicContact CD2-CE1 4.32Å; F365-F408 AromaticContact CE2-CD1 3.78Å; F365-F408 HydrophobicContact CE2-CD1 3.78Å; F365-F408 HydrophobicContact CE2-CD2 4.45Å; F365-F408 AromaticContact CE2-CE1 3.52Å; F365-F408 HydrophobicContact CE2-CE1 3.52Å; F365-F408 HydrophobicContact CE2-CE2 4.23Å; F365-F408 HydrophobicContact CE2-CG 4.24Å; F365-F408 AromaticContact CE2-CZ 3.75Å; F365-F408 HydrophobicContact CE2-CZ 3.75Å; F365-F408 HydrophobicContact CZ-CE1 4.2Å; F365-F408 HydrophobicContact CZ-CZ 4.21Å; F408-G410 PolarHBondContact O-N 3.39Å; F408-G410 VanDerWaalsContact O-N 3.08Å; F408-K411 PolarHBondContact N-O 3.01Å; F408-K411 WeakPolarHBondContact O-CB 3.34Å; F408-K411 PolarHBondContact O-N 2.88Å; F408-M432 HydrophobicContact CB-SD 3.8Å; F408-I434 HydrophobicContact CD1-CG2 3.72Å; F408-I434 HydrophobicContact CE1-CB 4.45Å; F408-I434 HydrophobicContact CE1-CG2 3.82Å; F408-S438 WeakPolarHBondContact CE1-OG 3.48Å; F408-S438 WeakPolarHBondContact CZ-OG 3.31Å; F408-C440 HydrophobicContact CD2-CB 4.14Å; F408-C440 HydrophobicContact CE1-CB 4.36Å; F408-C440 HydrophobicContact CE2-CB 3.64Å; F408-C440 WeakPolarHBondContact CE2-O 3.38Å; F408-C440 HydrophobicContact CZ-CB 3.77Å; F408-L443 HydrophobicContact CB-CD1 3.64Å; F408-L443 HydrophobicContact CD2-CB 3.95Å; F408-L443 HydrophobicContact CD2-CD1 4.05Å; F408-L443 HydrophobicContact CE2-CB 4.41Å; F408-L443 HydrophobicContact CG-CD1 4.03Å; F408-I466 HydrophobicContact CE2-CD1 3.94Å; F408-I466 HydrophobicContact CE2-CG1 3.69Å; F408-I466 HydrophobicContact CZ-CD1 4.25Å; F408-I466 HydrophobicContact CZ-CG1 4.02Å |
| 409 | A | 79.4 | Confident | 87.9 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 7% | 0.066 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 36.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D347 E349 K411 C440 | D347-A409 WeakPolarHBondContact O-CA 3.48Å; E349-A409 HydrophobicContact CG-CB 4.01Å; A409-K411 VanDerWaalsContact C-N 3.3Å; A409-K411 PolarHBondContact O-N 3.09Å; A409-C440 HydrophobicContact CB-CB 3.76Å; A409-C440 PolarHBondContact N-SG 3.5Å |
| 410 | G | 74.7 | Confident | 88.5 | Confident | 55 Ų | 55 | 33.7 Ų | 33.7 | 57% | 0.567 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -8.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F408 | F408-G410 PolarHBondContact O-N 3.39Å; F408-G410 VanDerWaalsContact O-N 3.08Å |
| 411 | K | 83.1 | Confident | 88.7 | Confident | 54 Ų | 54 | 35.5 Ų | 35.5 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 152.7 | 173.1 | -60 | 179.4 | -167.9 | 168.3 | 0 | 109.9 | E349 S407 F408 A409 M432 N433 | E349-K411 IonicContact OE2-NZ 2.68Å; E349-K411 PolarHBondContact OE2-NZ 3Å; S407-K411 VanDerWaalsContact CA-O 3.31Å; S407-K411 WeakPolarHBondContact CA-O 3.44Å; F408-K411 PolarHBondContact N-O 3.01Å; F408-K411 WeakPolarHBondContact O-CB 3.34Å; F408-K411 PolarHBondContact O-N 2.88Å; A409-K411 VanDerWaalsContact C-N 3.3Å; A409-K411 PolarHBondContact O-N 3.09Å; K411-M432 HydrophobicContact CB-SD 4.43Å; K411-N433 PolarHBondContact NZ-O 2.89Å |
| 412 | S | 87 | Confident | 88.6 | Confident | 69 Ų | 69 | 36.4 Ų | 36.4 | 48% | 0.483 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 130.6 | 172.7 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | V406 S407 | V406-S412 CarbonylContact O-C 3.41Å; V406-S412 WeakPolarHBondContact O-CA 3.47Å; S407-S412 WeakPolarHBondContact CB-OG 3.4Å; S407-S412 PolarHBondContact OG-OG 3.08Å |
| 413 | I | 92.2 | Very high | 88.5 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.5 | 178.2 | -58.6 | 172.2 | 0 | 0 | 0 | 108.7 | V406 I430 T431 M432 D536 V538 | V406-I413 PolarHBondContact N-O 2.62Å; V406-I413 PolarHBondContact O-N 3.03Å; I413-I430 HydrophobicContact CB-CG2 3.97Å; I413-I430 HydrophobicContact CD1-CG2 4.1Å; I413-I430 HydrophobicContact CG2-CG2 3.7Å; I413-T431 WeakPolarHBondContact CD1-O 3.22Å; I413-M432 HydrophobicContact CB-CE 4.23Å; I413-M432 HydrophobicContact CD1-CB 3.74Å; I413-M432 HydrophobicContact CD1-CE 3.84Å; I413-M432 HydrophobicContact CD1-CG 3.83Å; I413-M432 HydrophobicContact CG1-CE 3.93Å; I413-D536 HydrophobicContact CD1-CB 3.86Å; I413-V538 HydrophobicContact CG2-CG2 3.56Å |
| 414 | K | 92.5 | Very high | 88.4 | Confident | 89 Ų | 89 | 39 Ų | 39 | 39% | 0.387 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.5 | -178.1 | 166.6 | 170.3 | 176.9 | 178.2 | 0 | 110.4 | Y403 A404 L405 | Y403-K414 HydrophobicContact CD2-CD 3.63Å; Y403-K414 VanDerWaalsContact CD2-CE 3.43Å; Y403-K414 HydrophobicContact CD2-CG 3.69Å; Y403-K414 HydrophobicContact CE2-CD 3.73Å; Y403-K414 HydrophobicContact CE2-CG 4.14Å; Y403-K414 HydrophobicContact CG-CD 4.23Å; Y403-K414 VanDerWaalsContact CG-CE 3.49Å; Y403-K414 HydrophobicContact CG-CG 4.41Å; A404-K414 WeakPolarHBondContact O-CA 3.28Å; L405-K414 HydrophobicContact CD1-CB 4.18Å |
| 415 | S | 94.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | trans | -74.1 | 174.1 | 171.2 | 75.2 | 0 | 0 | 0 | 0 | 112.3 | A404 W426 E428 | A404-S415 PolarHBondContact N-OG 2.91Å; A404-S415 PolarHBondContact O-N 3.31Å; S415-W426 PolarHBondContact OG-NE1 3.13Å; S415-E428 WeakPolarHBondContact CB-OE2 3.21Å | ||
| 416 | S | 91.5 | Very high | 88.4 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 152.6 | 165 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | K418 W426 E428 | S416-K418 VanDerWaalsContact OG-CE 3.31Å; S416-K418 WeakPolarHBondContact OG-CE 3.46Å; S416-W426 VanDerWaalsContact O-CD1 3.28Å; S416-W426 PolarHBondContact O-NE1 2.91Å; S416-E428 WeakPolarHBondContact CB-OE1 3.43Å; S416-E428 PolarHBondContact N-OE2 3.45Å; S416-E428 VanDerWaalsContact OG-CD 3.26Å; S416-E428 PolarHBondContact OG-OE1 2.97Å; S416-E428 PolarHBondContact OG-OE2 3.04Å |
| 417 | T | 91 | Very high | 88.5 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 14% | 0.135 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -86.8 | 128.7 | 172.4 | -63.8 | 0 | 0 | 0 | 0 | 109.1 | D401 Y419 W450 | D401-T417 HydrophobicContact CB-CG2 4.35Å; T417-Y419 HydrophobicContact CG2-CD1 4.14Å; T417-Y419 HydrophobicContact CG2-CE1 3.68Å; T417-Y419 HydrophobicContact CG2-CE2 4.42Å; T417-W450 HydrophobicContact CG2-CB 3.63Å; T417-W450 HydrophobicContact CG2-CG 4.06Å |
| 418 | K | 90.3 | Very high | 88.8 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 24% | 0.239 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -99.4 | 133.7 | 172.1 | -57.8 | -62.3 | 169.6 | 158.2 | 0 | 108.3 | D401 P402 S416 T421 P424 E425 | D401-K418 CarbonylContact C-O 3.55Å; D401-K418 WeakPolarHBondContact CA-O 3.23Å; P402-K418 WeakPolarHBondContact CD-O 3.27Å; P402-K418 HydrophobicContact CG-CB 4.45Å; P402-K418 PolarHBondContact O-N 3.08Å; S416-K418 VanDerWaalsContact OG-CE 3.31Å; S416-K418 WeakPolarHBondContact OG-CE 3.46Å; K418-T421 HydrophobicContact CB-CG2 3.91Å; K418-P424 HydrophobicContact CB-CB 3.87Å; K418-P424 HydrophobicContact CG-CB 3.87Å; K418-E425 WeakPolarHBondContact CE-O 3.35Å; K418-E425 PolarHBondContact NZ-O 3.16Å |
| 419 | Y | 84.5 | Confident | 89.1 | Confident | 148 Ų | 148 | 44.6 Ų | 44.6 | 58% | 0.58 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -101.6 | 133.5 | -172.5 | -62.1 | -77 | 0 | 0 | 0 | 111.3 | D401 T417 W450 | D401-Y419 HydrophobicContact CB-CD1 4.18Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.39Å; T417-Y419 HydrophobicContact CG2-CD1 4.14Å; T417-Y419 HydrophobicContact CG2-CE1 3.68Å; T417-Y419 HydrophobicContact CG2-CE2 4.42Å; Y419-W450 HydrophobicContact CD1-CE3 4.34Å; Y419-W450 HydrophobicContact CE1-CD2 4.3Å; Y419-W450 AromaticContact CE1-CE3 3.59Å; Y419-W450 HydrophobicContact CE1-CE3 3.59Å; Y419-W450 AromaticContact CE1-CZ3 3.75Å; Y419-W450 HydrophobicContact CE1-CZ3 3.75Å |
| 420 | G | 81.6 | Confident | 89.9 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 64 | 39.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F399 V400 D401 | F399-G420 VanDerWaalsContact CB-C 3.44Å; F399-G420 WeakPolarHBondContact CD2-O 3.49Å; V400-G420 PolarHBondContact O-N 3.43Å; D401-G420 PolarHBondContact OD1-N 3.18Å |
| 421 | T | 85 | Confident | 90.8 | Very high | 39 Ų | 39 | 42 Ų | 42 | 24% | 0.239 | 22% | 0.218 | C | C | . | . | trans | -145.6 | 132.9 | 179.5 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | V400 P402 K418 H423 P424 | V400-T421 WeakPolarHBondContact CG1-O 3.41Å; V400-T421 PolarHBondContact O-N 3.11Å; P402-T421 WeakPolarHBondContact CD-O 3.14Å; K418-T421 HydrophobicContact CB-CG2 3.91Å; T421-H423 PolarHBondContact OG1-N 3.13Å; T421-H423 VanDerWaalsContact OG1-N 3.16Å; T421-H423 PolarHBondContact OG1-O 3.05Å; T421-P424 HydrophobicContact CG2-CB 4Å | ||
| 422 | D | 84.9 | Confident | 91.1 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -87 | -9.7 | 170.5 | 52.9 | -8.4 | 0 | 0 | 0 | 113.6 | D374 L375 F399 V400 P424 | D374-D422 PolarHBondContact N-O 2.92Å; L375-D422 HydrophobicContact CB-CB 4.49Å; L375-D422 WeakPolarHBondContact CB-O 3.42Å; L375-D422 PolarHBondContact N-O 3.18Å; L375-D422 VanDerWaalsContact N-O 3.1Å; L375-D422 VanDerWaalsContact O-CB 3.3Å; L375-D422 WeakPolarHBondContact O-CB 3.34Å; F399-D422 HydrophobicContact CD1-CB 4.16Å; V400-D422 HydrophobicContact CG1-CB 4.35Å; D422-P424 WeakPolarHBondContact O-CD 3.35Å |
| 423 | H | 91.2 | Very high | 91.1 | Very high | 72 Ų | 72 | 37 Ų | 37 | 33% | 0.333 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -120.4 | 66.5 | 172.6 | -60.1 | -88.4 | 0 | 0 | 0 | 110.3 | A372 E373 D374 T421 | A372-H423 CarbonylContact O-C 3.55Å; A372-H423 VanDerWaalsContact O-CA 3.26Å; A372-H423 WeakPolarHBondContact O-CA 3.38Å; E373-H423 WeakPolarHBondContact CA-ND1 3.12Å; D374-H423 PolarHBondContact N-CE1 3.05Å; D374-H423 IonicContact OD1-CE1 3Å; D374-H423 PolarHBondContact OD1-CE1 3.27Å; T421-H423 PolarHBondContact OG1-N 3.13Å; T421-H423 VanDerWaalsContact OG1-N 3.16Å; T421-H423 PolarHBondContact OG1-O 3.05Å |
| 424 | P | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -68.9 | 133.2 | -177.2 | 29.8 | -38.2 | 0 | 0 | 0 | 112.2 | M371 A372 L375 P402 K418 T421 D422 W426 | M371-P424 CarbonylContact C-O 3.53Å; M371-P424 WeakPolarHBondContact CA-O 3.23Å; M371-P424 WeakPolarHBondContact CB-O 3.35Å; A372-P424 HydrophobicContact CB-CG 3.91Å; A372-P424 PolarHBondContact N-O 2.88Å; A372-P424 WeakPolarHBondContact O-CD 3.36Å; L375-P424 HydrophobicContact CD1-CG 3.67Å; P402-P424 HydrophobicContact CB-CG 4.27Å; P402-P424 HydrophobicContact CG-CB 3.63Å; P402-P424 HydrophobicContact CG-CG 3.54Å; K418-P424 HydrophobicContact CB-CB 3.87Å; K418-P424 HydrophobicContact CG-CB 3.87Å; T421-P424 HydrophobicContact CG2-CB 4Å; D422-P424 WeakPolarHBondContact O-CD 3.35Å; P424-W426 HydrophobicContact CB-CD2 4.46Å; P424-W426 HydrophobicContact CB-CE3 4.38Å; P424-W426 HydrophobicContact CB-CH2 3.84Å; P424-W426 HydrophobicContact CB-CZ2 3.89Å; P424-W426 HydrophobicContact CB-CZ3 4.1Å; P424-W426 HydrophobicContact CG-CE3 4.33Å; P424-W426 HydrophobicContact CG-CH2 3.26Å; P424-W426 HydrophobicContact CG-CZ2 3.79Å; P424-W426 HydrophobicContact CG-CZ3 3.58Å | ||
| 425 | E | 92.8 | Very high | 90.2 | Very high | 118 Ų | 118 | 34 Ų | 34 | 55% | 0.551 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 108.1 | 167.6 | -65.1 | -176.5 | -177 | 0 | 0 | 109.4 | M371 K418 | M371-E425 HydrophobicContact CB-CG 4.14Å; M371-E425 HydrophobicContact CE-CG 4.47Å; K418-E425 WeakPolarHBondContact CE-O 3.35Å; K418-E425 PolarHBondContact NZ-O 3.16Å |
| 426 | W | 95 | Very high | 89.4 | Confident | 8 Ų | 8 | 35 Ų | 35 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -53.8 | 173.4 | -70.1 | -82.3 | 0 | 0 | 0 | 110.7 | L369 Y370 A372 P402 S415 S416 P424 E428 F447 | L369-W426 HydrophobicContact CD1-CE3 4.08Å; L369-W426 HydrophobicContact CD1-CZ3 4.39Å; L369-W426 HydrophobicContact CD2-CB 4.06Å; L369-W426 HydrophobicContact CD2-CD2 3.74Å; L369-W426 HydrophobicContact CD2-CE3 3.88Å; L369-W426 HydrophobicContact CD2-CG 3.8Å; L369-W426 HydrophobicContact CG-CB 4.08Å; L369-W426 HydrophobicContact CG-CD2 4.11Å; L369-W426 HydrophobicContact CG-CE3 3.82Å; L369-W426 HydrophobicContact CG-CG 4.22Å; Y370-W426 PolarHBondContact O-N 3.46Å; A372-W426 HydrophobicContact CB-CH2 3.94Å; A372-W426 HydrophobicContact CB-CZ3 3.59Å; P402-W426 HydrophobicContact CB-CH2 4.42Å; P402-W426 HydrophobicContact CB-CZ2 4.09Å; P402-W426 HydrophobicContact CG-CZ2 4.34Å; S415-W426 PolarHBondContact OG-NE1 3.13Å; S416-W426 VanDerWaalsContact O-CD1 3.28Å; S416-W426 PolarHBondContact O-NE1 2.91Å; P424-W426 HydrophobicContact CB-CD2 4.46Å; P424-W426 HydrophobicContact CB-CE3 4.38Å; P424-W426 HydrophobicContact CB-CH2 3.84Å; P424-W426 HydrophobicContact CB-CZ2 3.89Å; P424-W426 HydrophobicContact CB-CZ3 4.1Å; P424-W426 HydrophobicContact CG-CE3 4.33Å; P424-W426 HydrophobicContact CG-CH2 3.26Å; P424-W426 HydrophobicContact CG-CZ2 3.79Å; P424-W426 HydrophobicContact CG-CZ3 3.58Å; W426-E428 VanDerWaalsContact C-N 3.28Å; W426-E428 HydrophobicContact CB-CB 4.27Å; W426-E428 HydrophobicContact CB-CG 4.22Å; W426-F447 AromaticContact CH2-CD1 3.79Å; W426-F447 HydrophobicContact CH2-CD1 3.79Å; W426-F447 AromaticContact CH2-CE1 3.65Å; W426-F447 HydrophobicContact CH2-CE1 3.65Å; W426-F447 HydrophobicContact CZ2-CD1 4.37Å; W426-F447 HydrophobicContact CZ2-CE1 4.39Å; W426-F447 AromaticContact CZ3-CE1 3.98Å; W426-F447 HydrophobicContact CZ3-CE1 3.98Å |
| 427 | N | 95.4 | Very high | 88.7 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.6 | 54.1 | -168.3 | -62.3 | -48.3 | 0 | 0 | 0 | 110.7 | L369 Y370 L541 V546 | L369-N427 WeakPolarHBondContact O-CA 3.46Å; L369-N427 PolarHBondContact O-N 3.41Å; L369-N427 VanDerWaalsContact O-N 3.17Å; Y370-N427 PolarHBondContact O-N 3.23Å; N427-L541 HydrophobicContact CB-CB 4.45Å; N427-L541 HydrophobicContact CB-CD1 4.41Å; N427-L541 WeakPolarHBondContact O-CB 3.23Å; N427-L541 PolarHBondContact O-N 2.75Å; N427-V546 HydrophobicContact CB-CG2 4.04Å |
| 428 | E | 96.8 | Very high | 88 | Confident | 23 Ų | 23 | 33 Ų | 33 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.2 | -176.3 | -74.4 | 175.6 | 170.8 | 0 | 0 | 111.3 | L369 S415 S416 W426 V538 K539 | L369-E428 PolarHBondContact N-O 3.39Å; L369-E428 PolarHBondContact O-N 2.79Å; S415-E428 WeakPolarHBondContact CB-OE2 3.21Å; S416-E428 WeakPolarHBondContact CB-OE1 3.43Å; S416-E428 PolarHBondContact N-OE2 3.45Å; S416-E428 VanDerWaalsContact OG-CD 3.26Å; S416-E428 PolarHBondContact OG-OE1 2.97Å; S416-E428 PolarHBondContact OG-OE2 3.04Å; W426-E428 VanDerWaalsContact C-N 3.28Å; W426-E428 HydrophobicContact CB-CB 4.27Å; W426-E428 HydrophobicContact CB-CG 4.22Å; E428-V538 HydrophobicContact CB-CG1 4Å; E428-V538 HydrophobicContact CG-CG1 4.14Å; E428-K539 CarbonylContact C-O 3.55Å; E428-K539 WeakPolarHBondContact CA-O 3.15Å |
| 429 | E | 95.4 | Very high | 87.4 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 115 | 168 | -169.9 | 174.5 | 113.5 | 0 | 0 | 108.1 | V538 K539 L541 K545 | E429-V538 WeakPolarHBondContact O-CA 3.26Å; E429-K539 HydrophobicContact CB-CG 4Å; E429-K539 PolarHBondContact N-O 3.06Å; E429-K539 PolarHBondContact O-N 2.62Å; E429-K539 WeakPolarHBondContact OE1-CE 3.39Å; E429-K539 IonicContact OE1-NZ 2.72Å; E429-K539 PolarHBondContact OE1-NZ 2.87Å; E429-K539 IonicContact OE2-NZ 3.39Å; E429-L541 HydrophobicContact CB-CD2 3.75Å; E429-L541 HydrophobicContact CG-CD2 4.49Å; E429-K545 IonicContact OE2-NZ 2.79Å; E429-K545 PolarHBondContact OE2-NZ 2.74Å |
| 430 | I | 95.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.5 | 172.5 | -59.9 | 175.9 | 0 | 0 | 0 | 106.9 | I367 L369 V406 I413 V538 | I367-I430 HydrophobicContact CB-CB 4.3Å; I367-I430 PolarHBondContact N-O 2.77Å; I367-I430 PolarHBondContact O-N 3.31Å; L369-I430 HydrophobicContact CB-CD1 4.47Å; L369-I430 HydrophobicContact CD2-CD1 4.23Å; V406-I430 HydrophobicContact CG2-CD1 3.77Å; I413-I430 HydrophobicContact CB-CG2 3.97Å; I413-I430 HydrophobicContact CD1-CG2 4.1Å; I413-I430 HydrophobicContact CG2-CG2 3.7Å; I430-V538 HydrophobicContact CG1-CG1 4.27Å; I430-V538 HydrophobicContact CG1-CG2 4.17Å |
| 431 | T | 93 | Very high | 87.2 | Confident | 8 Ų | 8 | 23.1 Ų | 23.1 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120.2 | 174.1 | -55.7 | 0 | 0 | 0 | 0 | 108.7 | I364 F365 I413 D536 L537 | I364-T431 HydrophobicContact CB-CG2 4.01Å; I364-T431 HydrophobicContact CD1-CG2 3.94Å; I364-T431 HydrophobicContact CG2-CG2 3.92Å; F365-T431 WeakPolarHBondContact O-CA 3.26Å; I413-T431 WeakPolarHBondContact CD1-O 3.22Å; T431-D536 WeakPolarHBondContact O-CA 3.26Å; T431-L537 PolarHBondContact N-O 3.36Å; T431-L537 PolarHBondContact O-N 3.05Å |
| 432 | M | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.8 | 178.6 | -172 | 179.1 | -66.5 | 0 | 0 | 110.1 | I364 F365 V406 F408 K411 I413 | I364-M432 WeakPolarHBondContact CA-O 3.33Å; F365-M432 HydrophobicContact CB-CB 4.49Å; F365-M432 PolarHBondContact N-O 2.96Å; F365-M432 PolarHBondContact O-N 2.92Å; V406-M432 HydrophobicContact CB-CE 3.99Å; V406-M432 HydrophobicContact CG1-CE 3.63Å; F408-M432 HydrophobicContact CB-SD 3.8Å; K411-M432 HydrophobicContact CB-SD 4.43Å; I413-M432 HydrophobicContact CB-CE 4.23Å; I413-M432 HydrophobicContact CD1-CB 3.74Å; I413-M432 HydrophobicContact CD1-CE 3.84Å; I413-M432 HydrophobicContact CD1-CG 3.83Å; I413-M432 HydrophobicContact CG1-CE 3.93Å |
| 433 | N | 87.1 | Confident | 87.7 | Confident | 19 Ų | 19 | 25.2 Ų | 25.2 | 10% | 0.102 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 131.7 | 173.3 | -62.8 | -66.3 | 0 | 0 | 0 | 110.9 | I364 K411 T534 D536 | I364-N433 WeakPolarHBondContact CG2-OD1 3.32Å; K411-N433 PolarHBondContact NZ-O 2.89Å; N433-T534 PolarHBondContact ND2-O 3.31Å; N433-T534 PolarHBondContact OD1-N 3.29Å; N433-T534 VanDerWaalsContact OD1-N 3.09Å; N433-T534 PolarHBondContact OD1-O 3.37Å; N433-T534 PolarHBondContact OD1-OG1 3.01Å; N433-D536 PolarHBondContact N-OD1 3.36Å; N433-D536 PolarHBondContact ND2-OD1 3.04Å |
| 434 | I | 85.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 163.8 | 175.4 | 61.8 | 161.4 | 0 | 0 | 0 | 109.7 | A363 F365 F408 F436 | A363-I434 HydrophobicContact CB-CD1 4.18Å; A363-I434 HydrophobicContact CB-CG1 3.89Å; A363-I434 PolarHBondContact N-O 3.16Å; A363-I434 VanDerWaalsContact O-CG1 3.32Å; A363-I434 WeakPolarHBondContact O-CG1 3.5Å; A363-I434 PolarHBondContact O-N 3.33Å; F365-I434 HydrophobicContact CD1-CD1 3.58Å; F365-I434 HydrophobicContact CD1-CG1 4.5Å; F365-I434 HydrophobicContact CD2-CD1 4.19Å; F365-I434 HydrophobicContact CD2-CG2 3.84Å; F365-I434 HydrophobicContact CE1-CD1 3.37Å; F365-I434 HydrophobicContact CE2-CD1 4.01Å; F365-I434 HydrophobicContact CE2-CG2 4.15Å; F365-I434 HydrophobicContact CG-CD1 4Å; F365-I434 HydrophobicContact CG-CG2 4.27Å; F365-I434 HydrophobicContact CZ-CD1 3.61Å; F408-I434 HydrophobicContact CD1-CG2 3.72Å; F408-I434 HydrophobicContact CE1-CB 4.45Å; F408-I434 HydrophobicContact CE1-CG2 3.82Å; I434-F436 HydrophobicContact CD1-CD2 4.47Å |
| 435 | Q | 81 | Confident | 87.7 | Confident | 42 Ų | 42 | 23.4 Ų | 23.4 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.2 | 162.7 | -60.6 | -66.7 | -72.3 | 0 | 0 | 108.7 | E349 L360 P437 S438 | E349-Q435 WeakPolarHBondContact OE1-CG 3.34Å; E349-Q435 PolarHBondContact OE1-N 2.84Å; L360-Q435 HydrophobicContact CB-CB 3.86Å; L360-Q435 HydrophobicContact CD1-CB 3.62Å; L360-Q435 HydrophobicContact CD1-CG 4.47Å; L360-Q435 HydrophobicContact CG-CB 4.38Å; Q435-P437 CarbonylContact C-O 3.57Å; Q435-P437 CarbonylContact O-C 3.11Å; Q435-P437 VanDerWaalsContact O-C 3.27Å; Q435-S438 WeakPolarHBondContact O-CA 3.41Å; Q435-S438 PolarHBondContact O-N 3.25Å |
| 436 | F | 77.4 | Confident | 87.8 | Confident | 27 Ų | 27 | 18 Ų | 18 | 12% | 0.118 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.3 | -177.6 | -167.9 | -92 | 0 | 0 | 0 | 113.6 | L360 R361 A363 I434 F472 L480 P481 T527 L529 | L360-F436 WeakPolarHBondContact CD2-O 3.44Å; R361-F436 PolarHBondContact N-O 3.35Å; R361-F436 PolarHBondContact O-N 3.02Å; A363-F436 HydrophobicContact CB-CB 3.64Å; A363-F436 HydrophobicContact CB-CG 4.49Å; I434-F436 HydrophobicContact CD1-CD2 4.47Å; F436-F472 HydrophobicContact CE1-CE2 4.26Å; F436-L480 HydrophobicContact CD1-CD2 4.26Å; F436-L480 HydrophobicContact CE1-CD2 3.42Å; F436-L480 VanDerWaalsContact CE1-CD2 3.42Å; F436-L480 HydrophobicContact CE2-CD2 4.11Å; F436-L480 HydrophobicContact CZ-CD2 3.34Å; F436-P481 VanDerWaalsContact CE2-CD 3.48Å; F436-P481 HydrophobicContact CE2-CG 3.9Å; F436-T527 HydrophobicContact CD2-CG2 4.37Å; F436-L529 HydrophobicContact CB-CD2 3.97Å; F436-L529 HydrophobicContact CD1-CD2 3.72Å; F436-L529 HydrophobicContact CE1-CD2 4.47Å; F436-L529 HydrophobicContact CG-CD2 3.85Å |
| 437 | P | 76.2 | Confident | 87.8 | Confident | 14 Ų | 14 | 17.6 Ų | 17.6 | 9% | 0.091 | 9% | 0.085 | C | C | . | . | S | Bend | cis | -60.2 | 159.8 | -11.3 | 21.8 | -26.8 | 0 | 0 | 0 | 111.5 | A317 Y320 Q435 | A317-P437 HydrophobicContact CB-CG 3.53Å; Y320-P437 HydrophobicContact CE2-CB 4.36Å; Y320-P437 HydrophobicContact CE2-CG 4.41Å; Y320-P437 WeakPolarHBondContact OH-CG 3.23Å; Y320-P437 PolarHBondContact OH-O 2.5Å; Q435-P437 CarbonylContact C-O 3.57Å; Q435-P437 CarbonylContact O-C 3.11Å; Q435-P437 VanDerWaalsContact O-C 3.27Å |
| 438 | S | 77 | Confident | 87.7 | Confident | 6 Ų | 6 | 17.2 Ų | 17.2 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | trans | -99.4 | 137.2 | 178.9 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | Q214 F408 Q435 C440 | Q214-S438 PolarHBondContact NE2-O 3.08Å; Q214-S438 PolarHBondContact OE1-O 3.19Å; F408-S438 WeakPolarHBondContact CE1-OG 3.48Å; F408-S438 WeakPolarHBondContact CZ-OG 3.31Å; Q435-S438 WeakPolarHBondContact O-CA 3.41Å; Q435-S438 PolarHBondContact O-N 3.25Å; S438-C440 VanDerWaalsContact C-N 3.31Å; S438-C440 PolarHBondContact OG-N 3.13Å | ||
| 439 | M | 76.8 | Confident | 87.3 | Confident | 8 Ų | 8 | 16.2 Ų | 16.2 | 4% | 0.039 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -72.7 | -25.3 | 174.7 | 176.4 | -90.7 | -73.2 | 0 | 0 | 112.6 | W304 Y320 D347 I348 N351 | W304-M439 HydrophobicContact CB-CE 4.38Å; W304-M439 HydrophobicContact CB-CG 4.04Å; W304-M439 VanDerWaalsContact CD1-CE 3.45Å; W304-M439 HydrophobicContact CD2-CG 3.79Å; W304-M439 HydrophobicContact CD2-SD 4.05Å; W304-M439 HydrophobicContact CE3-CG 4.34Å; W304-M439 HydrophobicContact CG-CE 4Å; W304-M439 HydrophobicContact CG-CG 3.65Å; W304-M439 HydrophobicContact CG-SD 3.78Å; W304-M439 PolarHBondContact NE1-SD 2.81Å; W304-M439 VanDerWaalsContact NE1-SD 3.35Å; Y320-M439 HydrophobicContact CD1-CB 3.84Å; Y320-M439 HydrophobicContact CD1-CG 4.04Å; Y320-M439 HydrophobicContact CE1-CB 3.73Å; Y320-M439 HydrophobicContact CE1-CG 4.44Å; Y320-M439 HydrophobicContact CG-CB 4.27Å; Y320-M439 HydrophobicContact CG-CG 4.28Å; D347-M439 HydrophobicContact CB-SD 4.5Å; I348-M439 WeakPolarHBondContact O-CE 3.42Å; N351-M439 HydrophobicContact CB-CE 4.5Å |
| 440 | C | 80.2 | Confident | 86.8 | Confident | 7 Ų | 7 | 19 Ų | 19 | 5% | 0.047 | 9% | 0.087 | C | C | . | . | trans | -73.6 | 129.1 | -178.5 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | D347 F408 A409 S438 | D347-C440 HydrophobicContact CB-CB 4.38Å; F408-C440 HydrophobicContact CD2-CB 4.14Å; F408-C440 HydrophobicContact CE1-CB 4.36Å; F408-C440 HydrophobicContact CE2-CB 3.64Å; F408-C440 WeakPolarHBondContact CE2-O 3.38Å; F408-C440 HydrophobicContact CZ-CB 3.77Å; A409-C440 HydrophobicContact CB-CB 3.76Å; A409-C440 PolarHBondContact N-SG 3.5Å; S438-C440 VanDerWaalsContact C-N 3.31Å; S438-C440 PolarHBondContact OG-N 3.13Å | ||
| 441 | E | 82.4 | Confident | 86 | Confident | 21 Ų | 21 | 19.7 Ų | 19.7 | 10% | 0.098 | 9% | 0.091 | C | C | . | . | trans | -91.2 | -27.1 | -175.9 | -178.9 | 52.3 | -146.8 | 0 | 0 | 112.9 | S465 I466 S467 | E441-S465 CarbonylContact O-C 3.4Å; E441-S465 WeakPolarHBondContact O-CA 3.41Å; E441-S465 WeakPolarHBondContact OE1-CB 3.42Å; E441-S465 PolarHBondContact OE1-OG 3.06Å; E441-I466 PolarHBondContact O-N 3.5Å; E441-I466 PolarHBondContact OE1-N 3.28Å; E441-S467 VanDerWaalsContact OE1-CB 3.23Å; E441-S467 WeakPolarHBondContact OE1-CB 3.29Å; E441-S467 PolarHBondContact OE1-N 3.48Å; E441-S467 PolarHBondContact OE1-OG 2.82Å; E441-S467 PolarHBondContact OE2-N 2.86Å | ||
| 442 | K | 87.8 | Confident | 84.6 | Confident | 112 Ų | 112 | 27.7 Ų | 27.7 | 49% | 0.487 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 109.5 | -169.9 | -68.1 | 176.3 | -177.2 | 165.7 | 0 | 111.5 | V463 | K442-V463 HydrophobicContact CB-CG1 3.8Å; K442-V463 HydrophobicContact CD-CG1 4.35Å; K442-V463 HydrophobicContact CG-CG1 3.93Å |
| 443 | L | 91 | Very high | 83.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 114.5 | 166.3 | 176.7 | 61.6 | 0 | 0 | 0 | 109.2 | I367 V406 F408 F445 V463 I464 I466 L525 | I367-L443 HydrophobicContact CD1-CD1 4.46Å; I367-L443 HydrophobicContact CD1-CD2 4.46Å; V406-L443 HydrophobicContact CG1-CD1 3.88Å; F408-L443 HydrophobicContact CB-CD1 3.64Å; F408-L443 HydrophobicContact CD2-CB 3.95Å; F408-L443 HydrophobicContact CD2-CD1 4.05Å; F408-L443 HydrophobicContact CE2-CB 4.41Å; F408-L443 HydrophobicContact CG-CD1 4.03Å; L443-F445 HydrophobicContact CD1-CZ 4.33Å; L443-F445 HydrophobicContact CD2-CE2 3.9Å; L443-F445 HydrophobicContact CD2-CZ 3.68Å; L443-F445 HydrophobicContact CG-CE2 3.66Å; L443-F445 HydrophobicContact CG-CZ 3.73Å; L443-V463 WeakPolarHBondContact O-CA 3.33Å; L443-I464 HydrophobicContact CB-CB 4.43Å; L443-I464 PolarHBondContact N-O 3.26Å; L443-I464 PolarHBondContact O-N 2.97Å; L443-I466 HydrophobicContact CB-CD1 4.13Å; L443-L525 HydrophobicContact CD2-CD2 3.84Å |
| 444 | K | 92.2 | Very high | 81.9 | Confident | 33 Ų | 33 | 35.7 Ų | 35.7 | 14% | 0.143 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.3 | -169.5 | -170.4 | 180 | -170.2 | 176.2 | 0 | 111.4 | E344 V406 S407 T461 V463 L509 | E344-K444 IonicContact OE1-NZ 3.77Å; E344-K444 PolarHBondContact OE1-NZ 2.65Å; V406-K444 CarbonylContact C-O 3.47Å; V406-K444 WeakPolarHBondContact CA-O 3.21Å; S407-K444 PolarHBondContact N-O 2.83Å; S407-K444 PolarHBondContact O-N 2.97Å; K444-T461 HydrophobicContact CD-CG2 4.19Å; K444-T461 HydrophobicContact CG-CG2 3.61Å; K444-V463 HydrophobicContact CG-CG2 4.31Å; K444-L509 VanDerWaalsContact CE-O 3.23Å; K444-L509 WeakPolarHBondContact CE-O 3.27Å; K444-L509 PolarHBondContact NZ-O 3.31Å |
| 445 | F | 94.5 | Very high | 81.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 102 | 176.1 | -61.2 | -84.7 | 0 | 0 | 0 | 108.7 | I367 V406 L443 F447 T461 G462 I464 I488 L523 | I367-F445 HydrophobicContact CD1-CE1 4.29Å; I367-F445 HydrophobicContact CD1-CZ 4.4Å; I367-F445 HydrophobicContact CG2-CE1 4.03Å; I367-F445 HydrophobicContact CG2-CZ 4.47Å; V406-F445 HydrophobicContact CB-CD1 4.49Å; V406-F445 HydrophobicContact CB-CE1 4.44Å; V406-F445 HydrophobicContact CG1-CD1 4.25Å; V406-F445 HydrophobicContact CG1-CE1 3.84Å; V406-F445 HydrophobicContact CG1-CZ 4.47Å; V406-F445 HydrophobicContact CG2-CD1 3.86Å; V406-F445 HydrophobicContact CG2-CE1 3.87Å; L443-F445 HydrophobicContact CD1-CZ 4.33Å; L443-F445 HydrophobicContact CD2-CE2 3.9Å; L443-F445 HydrophobicContact CD2-CZ 3.68Å; L443-F445 HydrophobicContact CG-CE2 3.66Å; L443-F445 HydrophobicContact CG-CZ 3.73Å; F445-F447 HydrophobicContact CB-CE2 3.9Å; F445-F447 HydrophobicContact CB-CZ 4.47Å; F445-T461 CarbonylContact O-C 3.51Å; F445-T461 VanDerWaalsContact O-CA 3.3Å; F445-T461 WeakPolarHBondContact O-CA 3.43Å; F445-G462 PolarHBondContact N-O 3.38Å; F445-G462 PolarHBondContact O-N 2.95Å; F445-I464 HydrophobicContact CD2-CG1 4.47Å; F445-I464 HydrophobicContact CE2-CD1 3.59Å; F445-I464 HydrophobicContact CE2-CG1 3.89Å; F445-I464 HydrophobicContact CZ-CD1 4.25Å; F445-I488 HydrophobicContact CD2-CD1 4.5Å; F445-L523 HydrophobicContact CD1-CD2 3.85Å; F445-L523 HydrophobicContact CD2-CD2 4.26Å; F445-L523 HydrophobicContact CE1-CD2 3.68Å; F445-L523 HydrophobicContact CE2-CD2 4.09Å; F445-L523 HydrophobicContact CG-CD2 4.14Å; F445-L523 HydrophobicContact CZ-CD1 4.39Å; F445-L523 HydrophobicContact CZ-CD2 3.79Å |
| 446 | T | 94.1 | Very high | 81.1 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127 | 179 | -47.6 | 0 | 0 | 0 | 0 | 109.3 | L405 F448 L509 | L405-T446 PolarHBondContact N-O 2.86Å; L405-T446 PolarHBondContact O-N 2.92Å; T446-F448 HydrophobicContact CG2-CD2 4.02Å; T446-F448 HydrophobicContact CG2-CE1 4.4Å; T446-F448 HydrophobicContact CG2-CE2 3.3Å; T446-F448 HydrophobicContact CG2-CZ 3.53Å; T446-L509 HydrophobicContact CG2-CD2 4.27Å |
| 447 | F | 94.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138.5 | 178.4 | -65.6 | -95.1 | 0 | 0 | 0 | 109.7 | Y403 A404 W426 F445 I459 G460 L490 V521 | Y403-F447 WeakPolarHBondContact O-CA 3.39Å; A404-F447 HydrophobicContact CB-CD1 3.94Å; A404-F447 HydrophobicContact CB-CE1 3.48Å; A404-F447 VanDerWaalsContact CB-CE1 3.48Å; A404-F447 HydrophobicContact CB-CZ 3.99Å; W426-F447 AromaticContact CH2-CD1 3.79Å; W426-F447 HydrophobicContact CH2-CD1 3.79Å; W426-F447 AromaticContact CH2-CE1 3.65Å; W426-F447 HydrophobicContact CH2-CE1 3.65Å; W426-F447 HydrophobicContact CZ2-CD1 4.37Å; W426-F447 HydrophobicContact CZ2-CE1 4.39Å; W426-F447 AromaticContact CZ3-CE1 3.98Å; W426-F447 HydrophobicContact CZ3-CE1 3.98Å; F445-F447 HydrophobicContact CB-CE2 3.9Å; F445-F447 HydrophobicContact CB-CZ 4.47Å; F447-I459 HydrophobicContact CB-CB 4.23Å; F447-I459 HydrophobicContact CB-CD1 4.32Å; F447-I459 WeakPolarHBondContact O-CB 3.5Å; F447-I459 PolarHBondContact O-N 3.09Å; F447-G460 PolarHBondContact N-O 3.01Å; F447-L490 HydrophobicContact CD2-CD1 3.57Å; F447-L490 HydrophobicContact CD2-CD2 3.99Å; F447-L490 HydrophobicContact CD2-CG 4.46Å; F447-L490 HydrophobicContact CE2-CD1 4.03Å; F447-L490 HydrophobicContact CE2-CD2 3.98Å; F447-L490 HydrophobicContact CG-CD1 4.14Å; F447-V521 HydrophobicContact CE1-CB 4.4Å; F447-V521 HydrophobicContact CE1-CG2 4.16Å; F447-V521 HydrophobicContact CE2-CB 4.19Å; F447-V521 HydrophobicContact CE2-CG1 3.88Å; F447-V521 HydrophobicContact CZ-CB 3.73Å; F447-V521 HydrophobicContact CZ-CG1 3.79Å; F447-V521 HydrophobicContact CZ-CG2 3.66Å |
| 448 | F | 92.4 | Very high | 82.1 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.7 | -175.6 | -72.7 | -87.4 | 0 | 0 | 0 | 110.8 | P402 Y403 L405 T446 N456 D457 P458 L509 | P402-F448 VanDerWaalsContact CA-O 3.28Å; P402-F448 WeakPolarHBondContact CA-O 3.47Å; Y403-F448 HydrophobicContact CD1-CB 4.04Å; Y403-F448 HydrophobicContact CD2-CB 4.49Å; Y403-F448 HydrophobicContact CE1-CB 3.42Å; Y403-F448 VanDerWaalsContact CE1-CB 3.42Å; Y403-F448 HydrophobicContact CE1-CG 4.35Å; Y403-F448 HydrophobicContact CE2-CB 3.92Å; Y403-F448 AromaticContact CE2-CD2 3.85Å; Y403-F448 HydrophobicContact CE2-CD2 3.85Å; Y403-F448 HydrophobicContact CE2-CG 4.19Å; Y403-F448 AromaticContact CZ-CD2 3.92Å; Y403-F448 AromaticContact CZ-CG 3.79Å; Y403-F448 PolarHBondContact N-O 3.3Å; Y403-F448 PolarHBondContact O-N 2.78Å; Y403-F448 WeakPolarHBondContact OH-CB 3.18Å; L405-F448 HydrophobicContact CB-CD2 4.21Å; L405-F448 HydrophobicContact CB-CE2 4.01Å; L405-F448 HydrophobicContact CD2-CE2 3.89Å; T446-F448 HydrophobicContact CG2-CD2 4.02Å; T446-F448 HydrophobicContact CG2-CE1 4.4Å; T446-F448 HydrophobicContact CG2-CE2 3.3Å; T446-F448 HydrophobicContact CG2-CZ 3.53Å; F448-N456 HydrophobicContact CB-CB 4.2Å; F448-N456 HydrophobicContact CD1-CB 4.2Å; F448-N456 WeakPolarHBondContact CD1-O 3.23Å; F448-D457 CarbonylContact C-O 3.53Å; F448-D457 WeakPolarHBondContact CA-O 3.35Å; F448-P458 HydrophobicContact CD1-CB 4.15Å; F448-P458 HydrophobicContact CE1-CB 3.86Å; F448-L509 HydrophobicContact CE1-CD2 4.26Å; F448-L509 HydrophobicContact CZ-CD2 4.11Å |
| 449 | D | 89.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.8 | 165.4 | -168.3 | 8.4 | 0 | 0 | 0 | 108.8 | M378 V400 D401 D451 N456 D457 I459 | M378-D449 HydrophobicContact CB-CB 4.06Å; M378-D449 WeakPolarHBondContact CB-OD2 3.43Å; M378-D449 HydrophobicContact CG-CB 3.82Å; V400-D449 HydrophobicContact CG2-CB 3.74Å; D401-D449 WeakPolarHBondContact CA-OD1 3.23Å; D401-D449 WeakPolarHBondContact CB-OD1 3.49Å; D401-D449 PolarHBondContact N-OD1 3.46Å; D449-D451 PolarHBondContact O-N 3.09Å; D449-N456 WeakPolarHBondContact O-CA 3.43Å; D449-N456 WeakPolarHBondContact O-CB 3.45Å; D449-D457 HydrophobicContact CB-CB 4.47Å; D449-D457 PolarHBondContact N-O 3.03Å; D449-D457 PolarHBondContact O-N 3.4Å; D449-I459 HydrophobicContact CB-CD1 4.38Å; D449-I459 HydrophobicContact CB-CG1 4.32Å |
| 450 | W | 85.5 | Confident | 83.5 | Confident | 64 Ų | 64 | 42.8 Ų | 42.8 | 24% | 0.242 | 21% | 0.206 | C | C | . | . | trans | -78.8 | 120.5 | 178.3 | 178.7 | 78.2 | 0 | 0 | 0 | 110.9 | D401 Y403 T417 Y419 R452 | D401-W450 HydrophobicContact CB-CB 4.09Å; D401-W450 WeakPolarHBondContact O-CB 3.12Å; D401-W450 PolarHBondContact O-N 3.45Å; Y403-W450 HydrophobicContact CD1-CB 4.07Å; Y403-W450 HydrophobicContact CE1-CB 4.22Å; T417-W450 HydrophobicContact CG2-CB 3.63Å; T417-W450 HydrophobicContact CG2-CG 4.06Å; Y419-W450 HydrophobicContact CD1-CE3 4.34Å; Y419-W450 HydrophobicContact CE1-CD2 4.3Å; Y419-W450 AromaticContact CE1-CE3 3.59Å; Y419-W450 HydrophobicContact CE1-CE3 3.59Å; Y419-W450 AromaticContact CE1-CZ3 3.75Å; Y419-W450 HydrophobicContact CE1-CZ3 3.75Å; W450-R452 HydrophobicContact CH2-CB 3.85Å; W450-R452 HydrophobicContact CH2-CG 4.21Å; W450-R452 HydrophobicContact CZ3-CB 4.11Å | ||
| 451 | D | 77 | Confident | 84.1 | Confident | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.08 | 21% | 0.208 | C | C | . | . | trans | -105 | 132.8 | 175.5 | -80.6 | -63.1 | 0 | 0 | 0 | 112.3 | K387 D449 I453 N456 | K387-D451 IonicContact NZ-OD1 2.7Å; K387-D451 PolarHBondContact NZ-OD1 3.14Å; D449-D451 PolarHBondContact O-N 3.09Å; D451-I453 PolarHBondContact O-N 3.48Å; D451-N456 PolarHBondContact N-OD1 2.82Å | ||
| 452 | R | 65.4 | Low | 84.6 | Confident | 176 Ų | 176 | 42.2 Ų | 42.2 | 66% | 0.664 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -64.9 | -31.3 | 172.5 | -173.2 | -179.6 | -75.7 | -174.8 | -1.5 | 111.6 | W450 | W450-R452 HydrophobicContact CH2-CB 3.85Å; W450-R452 HydrophobicContact CH2-CG 4.21Å; W450-R452 HydrophobicContact CZ3-CB 4.11Å |
| 453 | I | 57 | Low | 84.7 | Confident | 124 Ų | 124 | 40.4 Ų | 40.4 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -138.9 | 117 | -178.9 | -56.2 | 174.5 | 0 | 0 | 0 | 107.9 | D451 | D451-I453 PolarHBondContact O-N 3.48Š|
| 454 | G | 63.7 | Low | 84.7 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 65% | 0.649 | 20% | 0.204 | S | C | * | . | S | Bend | trans | 127.5 | -170.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 455 | Y | 67.4 | Low | 84.6 | Confident | 150 Ų | 150 | 40.2 Ų | 40.2 | 59% | 0.588 | 21% | 0.205 | S | C | * | . | P | Polyproline II helix | trans | -83.9 | 148.9 | 160.8 | -59 | -83.8 | 0 | 0 | 0 | 107.7 | K111 D457 | K111-Y455 HydrophobicContact CD-CE1 4.35Å; K111-Y455 WeakPolarHBondContact CE-OH 3.16Å; K111-Y455 PolarHBondContact NZ-OH 2.72Å; Y455-D457 PolarHBondContact O-N 2.96Å |
| 456 | N | 81.4 | Confident | 84.2 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 23% | 0.225 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -71 | 126.4 | 170.8 | -63.2 | -18.4 | 0 | 0 | 0 | 108.7 | Y403 F448 D449 D451 | Y403-N456 HydrophobicContact CE1-CB 4.25Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.43Å; Y403-N456 PolarHBondContact OH-ND2 3.42Å; F448-N456 HydrophobicContact CB-CB 4.2Å; F448-N456 HydrophobicContact CD1-CB 4.2Å; F448-N456 WeakPolarHBondContact CD1-O 3.23Å; D449-N456 WeakPolarHBondContact O-CA 3.43Å; D449-N456 WeakPolarHBondContact O-CB 3.45Å; D451-N456 PolarHBondContact N-OD1 2.82Å |
| 457 | D | 85 | Confident | 83.6 | Confident | 51 Ų | 51 | 42.4 Ų | 42.4 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.1 | -176.1 | -69 | -32.6 | 0 | 0 | 0 | 111.1 | M378 F448 D449 Y455 I459 | M378-D457 HydrophobicContact CB-CB 4.37Å; M378-D457 HydrophobicContact CE-CB 3.67Å; F448-D457 CarbonylContact C-O 3.53Å; F448-D457 WeakPolarHBondContact CA-O 3.35Å; D449-D457 HydrophobicContact CB-CB 4.47Å; D449-D457 PolarHBondContact N-O 3.03Å; D449-D457 PolarHBondContact O-N 3.4Å; Y455-D457 PolarHBondContact O-N 2.96Å; D457-I459 PolarHBondContact O-N 3.35Å |
| 458 | P | 89.7 | Confident | 83.3 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 122.5 | 176.1 | 28.6 | -32.9 | 0 | 0 | 0 | 110.3 | M378 F448 E505 N508 L509 | M378-P458 VanDerWaalsContact CE-O 3.31Å; M378-P458 WeakPolarHBondContact CE-O 3.39Å; F448-P458 HydrophobicContact CD1-CB 4.15Å; F448-P458 HydrophobicContact CE1-CB 3.86Å; P458-E505 WeakPolarHBondContact CD-OE1 3.28Å; P458-E505 HydrophobicContact CG-CG 3.74Å; P458-N508 HydrophobicContact CB-CB 3.9Å; P458-N508 HydrophobicContact CG-CB 4.02Å; P458-N508 VanDerWaalsContact O-CB 3.22Å; P458-N508 WeakPolarHBondContact O-CB 3.35Å; P458-N508 PolarHBondContact O-ND2 3.4Å; P458-L509 HydrophobicContact CB-CD2 3.63Å; P458-L509 HydrophobicContact CB-CG 4.03Å; P458-L509 HydrophobicContact CG-CD2 4.04Å; P458-L509 HydrophobicContact CG-CG 4.04Å |
| 459 | I | 90.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -48.6 | -178.8 | -59.4 | 167.9 | 0 | 0 | 0 | 110.1 | L375 P376 M378 V400 P402 F447 D449 D457 R518 | L375-I459 HydrophobicContact CD2-CG2 4.27Å; P376-I459 HydrophobicContact CG-CG2 3.84Å; M378-I459 HydrophobicContact CG-CG1 3.98Å; M378-I459 HydrophobicContact SD-CG1 4.18Å; V400-I459 HydrophobicContact CG2-CD1 3.48Å; V400-I459 VanDerWaalsContact CG2-CD1 3.48Å; V400-I459 HydrophobicContact CG2-CG1 4.22Å; P402-I459 HydrophobicContact CB-CD1 4.1Å; F447-I459 HydrophobicContact CB-CB 4.23Å; F447-I459 HydrophobicContact CB-CD1 4.32Å; F447-I459 WeakPolarHBondContact O-CB 3.5Å; F447-I459 PolarHBondContact O-N 3.09Å; D449-I459 HydrophobicContact CB-CD1 4.38Å; D449-I459 HydrophobicContact CB-CG1 4.32Å; D457-I459 PolarHBondContact O-N 3.35Å; I459-R518 WeakPolarHBondContact O-CB 3.17Å; I459-R518 PolarHBondContact O-NE 3.28Å; I459-R518 PolarHBondContact O-NH2 2.93Å |
| 460 | G | 91.5 | Very high | 83 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | 161.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F447 N508 | F447-G460 PolarHBondContact N-O 3.01Å; G460-N508 CarbonylContact C-O 3.55Å; G460-N508 VanDerWaalsContact C-O 3.25Å; G460-N508 WeakPolarHBondContact CA-O 3.34Å |
| 461 | T | 93.9 | Very high | 82.6 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.3 | -178.4 | -62 | 0 | 0 | 0 | 0 | 111 | K444 F445 V463 N508 L509 G510 | K444-T461 HydrophobicContact CD-CG2 4.19Å; K444-T461 HydrophobicContact CG-CG2 3.61Å; F445-T461 CarbonylContact O-C 3.51Å; F445-T461 VanDerWaalsContact O-CA 3.3Å; F445-T461 WeakPolarHBondContact O-CA 3.43Å; T461-V463 HydrophobicContact CG2-CG2 4.07Å; T461-N508 WeakPolarHBondContact CB-O 3.24Å; T461-N508 PolarHBondContact N-O 3.46Å; T461-N508 PolarHBondContact OG1-O 3.26Å; T461-L509 WeakPolarHBondContact OG1-CA 3.18Å; T461-G510 PolarHBondContact OG1-N 2.91Å |
| 462 | G | 91.9 | Very high | 82.1 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 146 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F445 L490 | F445-G462 PolarHBondContact N-O 3.38Å; F445-G462 PolarHBondContact O-N 2.95Å; G462-L490 VanDerWaalsContact N-CD2 3.34Å |
| 463 | V | 91.2 | Very high | 82.1 | Confident | 74 Ų | 74 | 41.2 Ų | 41.2 | 45% | 0.448 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.3 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | K442 L443 K444 T461 | K442-V463 HydrophobicContact CB-CG1 3.8Å; K442-V463 HydrophobicContact CD-CG1 4.35Å; K442-V463 HydrophobicContact CG-CG1 3.93Å; L443-V463 WeakPolarHBondContact O-CA 3.33Å; K444-V463 HydrophobicContact CG-CG2 4.31Å; T461-V463 HydrophobicContact CG2-CG2 4.07Å |
| 464 | I | 91 | Very high | 82 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.6 | 170.2 | -54.5 | 176.8 | 0 | 0 | 0 | 108.3 | L443 F445 I469 F483 I488 L523 | L443-I464 HydrophobicContact CB-CB 4.43Å; L443-I464 PolarHBondContact N-O 3.26Å; L443-I464 PolarHBondContact O-N 2.97Å; F445-I464 HydrophobicContact CD2-CG1 4.47Å; F445-I464 HydrophobicContact CE2-CD1 3.59Å; F445-I464 HydrophobicContact CE2-CG1 3.89Å; F445-I464 HydrophobicContact CZ-CD1 4.25Å; I464-I469 HydrophobicContact CG2-CB 4.43Å; I464-I469 HydrophobicContact CG2-CD1 3.72Å; I464-I469 HydrophobicContact CG2-CG1 3.97Å; I464-I469 HydrophobicContact CG2-CG2 3.63Å; I464-F483 HydrophobicContact CD1-CD1 4.09Å; I464-F483 HydrophobicContact CD1-CD2 4.22Å; I464-F483 HydrophobicContact CD1-CE1 4.35Å; I464-F483 HydrophobicContact CD1-CE2 4.45Å; I464-F483 HydrophobicContact CD1-CG 4.04Å; I464-I488 HydrophobicContact CD1-CD1 3.49Å; I464-I488 VanDerWaalsContact CD1-CD1 3.49Å; I464-I488 HydrophobicContact CG1-CD1 3.59Å; I464-L523 HydrophobicContact CD1-CD1 4.21Å |
| 465 | S | 89.3 | Confident | 81.4 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122 | 173.6 | -141.7 | 0 | 0 | 0 | 0 | 109.5 | E441 S467 Q468 I469 | E441-S465 CarbonylContact O-C 3.4Å; E441-S465 WeakPolarHBondContact O-CA 3.41Å; E441-S465 WeakPolarHBondContact OE1-CB 3.42Å; E441-S465 PolarHBondContact OE1-OG 3.06Å; S465-S467 VanDerWaalsContact C-N 3.29Å; S465-S467 PolarHBondContact O-N 2.97Å; S465-Q468 VanDerWaalsContact CB-CD 3.42Å; S465-Q468 WeakPolarHBondContact O-CB 3.31Å; S465-Q468 PolarHBondContact O-N 3.4Å; S465-Q468 VanDerWaalsContact O-N 3.08Å; S465-I469 PolarHBondContact O-N 2.9Å |
| 466 | I | 86.8 | Confident | 80.7 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -60.8 | -38.9 | -177.2 | -62 | -55.4 | 0 | 0 | 0 | 111.5 | F365 F408 E441 L443 Q468 I469 S470 P481 | F365-I466 HydrophobicContact CE2-CD1 4.18Å; F365-I466 HydrophobicContact CZ-CD1 3.92Å; F408-I466 HydrophobicContact CE2-CD1 3.94Å; F408-I466 HydrophobicContact CE2-CG1 3.69Å; F408-I466 HydrophobicContact CZ-CD1 4.25Å; F408-I466 HydrophobicContact CZ-CG1 4.02Å; E441-I466 PolarHBondContact O-N 3.5Å; E441-I466 PolarHBondContact OE1-N 3.28Å; L443-I466 HydrophobicContact CB-CD1 4.13Å; I466-Q468 PolarHBondContact O-N 2.86Å; I466-I469 HydrophobicContact CD1-CD1 4.26Å; I466-I469 WeakPolarHBondContact O-CG1 3.31Å; I466-I469 PolarHBondContact O-N 3.29Å; I466-I469 VanDerWaalsContact O-N 3.16Å; I466-S470 PolarHBondContact O-N 2.91Å; I466-S470 PolarHBondContact O-OG 2.86Å; I466-P481 HydrophobicContact CG2-CG 3.97Å |
| 467 | S | 81.3 | Confident | 79.8 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -64 | -23.5 | 177.1 | 63.1 | 0 | 0 | 0 | 0 | 114 | E441 S465 | E441-S467 VanDerWaalsContact OE1-CB 3.23Å; E441-S467 WeakPolarHBondContact OE1-CB 3.29Å; E441-S467 PolarHBondContact OE1-N 3.48Å; E441-S467 PolarHBondContact OE1-OG 2.82Å; E441-S467 PolarHBondContact OE2-N 2.86Å; S465-S467 VanDerWaalsContact C-N 3.29Å; S465-S467 PolarHBondContact O-N 2.97Å |
| 468 | Q | 87.1 | Confident | 79.3 | Confident | 71 Ų | 71 | 45.7 Ų | 45.7 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -84.8 | -18.5 | 178.2 | -65.4 | 173 | -7.8 | 0 | 0 | 112.5 | S465 I466 M704 I752 P754 | S465-Q468 VanDerWaalsContact CB-CD 3.42Å; S465-Q468 WeakPolarHBondContact O-CB 3.31Å; S465-Q468 PolarHBondContact O-N 3.4Å; S465-Q468 VanDerWaalsContact O-N 3.08Å; I466-Q468 PolarHBondContact O-N 2.86Å; Q468-M704 WeakPolarHBondContact O-CE 3.31Å; Q468-I752 HydrophobicContact CG-CG2 3.99Å; Q468-P754 HydrophobicContact CB-CB 4.32Å |
| 469 | I | 90.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -113.4 | 13.9 | -177 | 64 | 153.9 | 0 | 0 | 0 | 114.1 | I464 S465 I466 F479 P481 T482 F483 L525 M704 P754 | I464-I469 HydrophobicContact CG2-CB 4.43Å; I464-I469 HydrophobicContact CG2-CD1 3.72Å; I464-I469 HydrophobicContact CG2-CG1 3.97Å; I464-I469 HydrophobicContact CG2-CG2 3.63Å; S465-I469 PolarHBondContact O-N 2.9Å; I466-I469 HydrophobicContact CD1-CD1 4.26Å; I466-I469 WeakPolarHBondContact O-CG1 3.31Å; I466-I469 PolarHBondContact O-N 3.29Å; I466-I469 VanDerWaalsContact O-N 3.16Å; I469-F479 WeakPolarHBondContact O-CE2 3.4Å; I469-P481 HydrophobicContact CD1-CB 3.88Å; I469-P481 HydrophobicContact CG1-CB 4.29Å; I469-P481 VanDerWaalsContact O-CA 3.27Å; I469-P481 WeakPolarHBondContact O-CA 3.17Å; I469-T482 PolarHBondContact O-N 2.98Å; I469-F483 HydrophobicContact CD1-CB 4.42Å; I469-F483 HydrophobicContact CG2-CB 4.38Å; I469-F483 HydrophobicContact CG2-CD2 4.1Å; I469-L525 HydrophobicContact CD1-CD2 3.48Å; I469-L525 VanDerWaalsContact CD1-CD2 3.48Å; I469-M704 HydrophobicContact CB-CE 4.16Å; I469-M704 HydrophobicContact CG2-CE 4.15Å; I469-P754 HydrophobicContact CG2-CB 3.81Å; I469-P754 HydrophobicContact CG2-CG 3.92Å |
| 470 | S | 86.7 | Confident | 78.9 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | trans | -146.9 | 158.6 | 178.7 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | I466 F479 | I466-S470 PolarHBondContact O-N 2.91Å; I466-S470 PolarHBondContact O-OG 2.86Å; S470-F479 VanDerWaalsContact CA-CE2 3.45Å | ||
| 471 | A | 76.2 | Confident | 78.8 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -140.8 | 116.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G478 F479 | A471-G478 CarbonylContact O-C 3.17Å; A471-G478 WeakPolarHBondContact O-CA 3.48Å; A471-F479 HydrophobicContact CB-CD1 3.67Å; A471-F479 HydrophobicContact CB-CE1 3.33Å; A471-F479 HydrophobicContact CB-CZ 3.97Å; A471-F479 PolarHBondContact N-O 2.86Å; A471-F479 PolarHBondContact O-N 2.89Å |
| 472 | F | 67.5 | Low | 78.9 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | trans | -94.1 | 104.4 | -179.3 | -153.6 | -98.4 | 0 | 0 | 0 | 110.4 | Q216 A317 F436 | Q216-F472 HydrophobicContact CB-CD1 4.28Å; Q216-F472 HydrophobicContact CG-CD1 4Å; Q216-F472 HydrophobicContact CG-CE1 4.42Å; A317-F472 WeakPolarHBondContact O-CE1 3.4Å; F436-F472 HydrophobicContact CE1-CE2 4.26Å | ||
| 473 | R | 63.6 | Low | 79.1 | Confident | 59 Ų | 59 | 49 Ų | 49 | 22% | 0.223 | 27% | 0.27 | C | S | . | . | trans | -130.1 | 149 | 179.5 | -65 | -177.9 | 173.5 | -170.8 | -8.3 | 109.5 | L711 | R473-L711 VanDerWaalsContact CZ-CD1 3.42Š| ||
| 474 | D | 54.9 | Low | 79.2 | Confident | 125 Ų | 125 | 45.7 Ų | 45.7 | 67% | 0.668 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -67.4 | -36.3 | 179.7 | -86.1 | -43.1 | 0 | 0 | 0 | 112.3 | Q216 K318 | Q216-D474 PolarHBondContact NE2-OD1 2.84Å; Q216-D474 PolarHBondContact NE2-OD2 2.87Å; K318-D474 IonicContact NZ-OD1 3.56Å |
| 475 | D | 51.3 | Low | 79.3 | Confident | 124 Ų | 124 | 46.1 Ų | 46.1 | 66% | 0.663 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -74.9 | 157.8 | 178.6 | -57.5 | -43.8 | 0 | 0 | 0 | 110.3 | D477 G478 | D475-D477 PolarHBondContact O-N 3.15Å; D475-G478 PolarHBondContact O-N 2.81Å |
| 476 | N | 53.4 | Low | 79.6 | Confident | 177 Ų | 177 | 45.2 Ų | 45.2 | 95% | 0.947 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 16.6 | 173.9 | -82.1 | -22.1 | 0 | 0 | 0 | 115.1 | ||
| 477 | D | 62.2 | Low | 80 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -7.2 | -178.7 | -81.5 | 0 | 0 | 0 | 0 | 114.1 | D475 K710 | D475-D477 PolarHBondContact O-N 3.15Å; D477-K710 VanDerWaalsContact CG-NZ 3.25Å; D477-K710 WeakPolarHBondContact OD1-CE 3.32Å; D477-K710 IonicContact OD1-NZ 2.6Å; D477-K710 PolarHBondContact OD1-NZ 3.01Å; D477-K710 IonicContact OD2-NZ 2.87Å |
| 478 | G | 73.9 | Confident | 80.7 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | trans | -72.2 | 167.7 | 168 | 0 | 0 | 0 | 0 | 0 | 112.7 | A471 D475 | A471-G478 CarbonylContact O-C 3.17Å; A471-G478 WeakPolarHBondContact O-CA 3.48Å; D475-G478 PolarHBondContact O-N 2.81Å | ||
| 479 | F | 85.3 | Confident | 81.1 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -145.4 | 145.2 | 174.1 | 62.1 | -84.6 | 0 | 0 | 0 | 112.2 | I469 S470 A471 M704 H707 | I469-F479 WeakPolarHBondContact O-CE2 3.4Å; S470-F479 VanDerWaalsContact CA-CE2 3.45Å; A471-F479 HydrophobicContact CB-CD1 3.67Å; A471-F479 HydrophobicContact CB-CE1 3.33Å; A471-F479 HydrophobicContact CB-CZ 3.97Å; A471-F479 PolarHBondContact N-O 2.86Å; A471-F479 PolarHBondContact O-N 2.89Å; F479-M704 HydrophobicContact CD2-SD 4.49Å; F479-M704 HydrophobicContact CE2-CE 4.2Å; F479-M704 HydrophobicContact CE2-SD 3.63Å; F479-M704 HydrophobicContact CZ-CE 4.41Å; F479-M704 HydrophobicContact CZ-SD 4.2Å; F479-H707 HydrophobicContact CB-CB 4.47Å; F479-H707 VanDerWaalsContact CB-ND1 3.31Å; F479-H707 WeakPolarHBondContact CB-ND1 3.48Å; F479-H707 HydrophobicContact CD1-CB 3.66Å; F479-H707 AromaticContact CD1-CG 3.93Å; F479-H707 HydrophobicContact CD2-CB 3.98Å; F479-H707 AromaticContact CD2-ND1 3.53Å; F479-H707 HydrophobicContact CE1-CB 3.75Å; F479-H707 HydrophobicContact CE2-CB 4.06Å; F479-H707 HydrophobicContact CG-CB 3.79Å; F479-H707 AromaticContact CG-CG 3.67Å; F479-H707 AromaticContact CG-ND1 3.4Å; F479-H707 WeakPolarHBondContact CG-ND1 3.46Å; F479-H707 HydrophobicContact CZ-CB 3.96Å |
| 480 | L | 87.4 | Confident | 81.3 | Confident | 57 Ų | 57 | 41.3 Ų | 41.3 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | trans | -71.7 | 161.5 | 176.8 | -60.2 | 178.4 | 0 | 0 | 0 | 110.9 | F436 T482 T527 L529 | F436-L480 HydrophobicContact CD1-CD2 4.26Å; F436-L480 HydrophobicContact CE1-CD2 3.42Å; F436-L480 VanDerWaalsContact CE1-CD2 3.42Å; F436-L480 HydrophobicContact CE2-CD2 4.11Å; F436-L480 HydrophobicContact CZ-CD2 3.34Å; L480-T482 PolarHBondContact O-N 2.97Å; L480-T482 PolarHBondContact O-OG1 3.47Å; L480-T527 HydrophobicContact CB-CG2 4.37Å; L480-T527 HydrophobicContact CD1-CG2 4.35Å; L480-L529 HydrophobicContact CD1-CD1 4.16Å; L480-L529 HydrophobicContact CD1-CD2 4.3Å; L480-L529 HydrophobicContact CD1-CG 3.93Å | ||
| 481 | P | 90.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -51.1 | 113.3 | 176.7 | -25.4 | 33.3 | 0 | 0 | 0 | 111.8 | F365 F436 I466 I469 T527 | F365-P481 HydrophobicContact CE1-CB 3.88Å; F365-P481 HydrophobicContact CE1-CG 4.14Å; F365-P481 HydrophobicContact CZ-CB 4.23Å; F365-P481 HydrophobicContact CZ-CG 4.39Å; F436-P481 VanDerWaalsContact CE2-CD 3.48Å; F436-P481 HydrophobicContact CE2-CG 3.9Å; I466-P481 HydrophobicContact CG2-CG 3.97Å; I469-P481 HydrophobicContact CD1-CB 3.88Å; I469-P481 HydrophobicContact CG1-CB 4.29Å; I469-P481 VanDerWaalsContact O-CA 3.27Å; I469-P481 WeakPolarHBondContact O-CA 3.17Å; P481-T527 WeakPolarHBondContact CB-OG1 3.05Å; P481-T527 PolarHBondContact O-OG1 3.43Å |
| 482 | T | 93.9 | Very high | 82.4 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | trans | -139.8 | 131.9 | -173.4 | -55 | 0 | 0 | 0 | 0 | 108.9 | I469 L480 L525 E703 M704 | I469-T482 PolarHBondContact O-N 2.98Å; L480-T482 PolarHBondContact O-N 2.97Å; L480-T482 PolarHBondContact O-OG1 3.47Å; T482-L525 WeakPolarHBondContact CA-O 3.38Å; T482-E703 HydrophobicContact CG2-CB 4.01Å; T482-E703 HydrophobicContact CG2-CG 4.09Å; T482-M704 VanDerWaalsContact O-SD 3.33Å | ||
| 483 | F | 96.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 141.4 | 179 | 175.2 | -83.1 | 0 | 0 | 0 | 111 | I464 I469 I488 L523 E524 L525 Q755 | I464-F483 HydrophobicContact CD1-CD1 4.09Å; I464-F483 HydrophobicContact CD1-CD2 4.22Å; I464-F483 HydrophobicContact CD1-CE1 4.35Å; I464-F483 HydrophobicContact CD1-CE2 4.45Å; I464-F483 HydrophobicContact CD1-CG 4.04Å; I469-F483 HydrophobicContact CD1-CB 4.42Å; I469-F483 HydrophobicContact CG2-CB 4.38Å; I469-F483 HydrophobicContact CG2-CD2 4.1Å; F483-I488 HydrophobicContact CE1-CD1 3.9Å; F483-I488 HydrophobicContact CE1-CG1 3.89Å; F483-I488 HydrophobicContact CE2-CG1 4.45Å; F483-I488 HydrophobicContact CZ-CD1 3.82Å; F483-I488 HydrophobicContact CZ-CG1 3.51Å; F483-L523 HydrophobicContact CD1-CD1 3.56Å; F483-L523 HydrophobicContact CE1-CD1 3.63Å; F483-L523 HydrophobicContact CE1-CG 4.34Å; F483-E524 CarbonylContact O-C 3.57Å; F483-E524 VanDerWaalsContact O-CA 3.29Å; F483-E524 WeakPolarHBondContact O-CA 3.39Å; F483-L525 HydrophobicContact CB-CB 4.11Å; F483-L525 PolarHBondContact N-O 2.98Å; F483-L525 PolarHBondContact O-N 2.94Å; F483-Q755 HydrophobicContact CD2-CG 3.95Å; F483-Q755 HydrophobicContact CE2-CB 4.38Å; F483-Q755 HydrophobicContact CE2-CG 3.78Å |
| 484 | G | 93.3 | Very high | 84.4 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75 | -172.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N702 | G484-N702 WeakPolarHBondContact O-CB 3.43Å; G484-N702 PolarHBondContact O-ND2 2.95Å |
| 485 | P | 94.2 | Very high | 85.4 | Confident | 17 Ų | 17 | 30 Ų | 30 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -59.2 | 123 | 4.7 | -19.2 | 28.3 | 0 | 0 | 0 | 112.4 | L522 L523 E524 I549 N702 | P485-L522 HydrophobicContact CB-CD1 4.37Å; P485-L523 WeakPolarHBondContact CA-O 3.43Å; P485-E524 HydrophobicContact CB-CB 4.49Å; P485-E524 HydrophobicContact CG-CB 4.3Å; P485-E524 HydrophobicContact CG-CG 4.32Å; P485-E524 WeakPolarHBondContact CG-OE2 3.22Å; P485-I549 HydrophobicContact CB-CG2 4.45Å; P485-I549 HydrophobicContact CG-CG2 4.38Å; P485-N702 PolarHBondContact O-ND2 3.01Å |
| 486 | S | 95.2 | Very high | 86.1 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 151.5 | 177.8 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | L523 R638 | S486-L523 PolarHBondContact N-O 3.27Å; S486-L523 VanDerWaalsContact N-O 3.08Å; S486-L523 PolarHBondContact O-N 2.81Å; S486-R638 PolarHBondContact OG-NH1 3.35Å |
| 487 | F | 95.7 | Very high | 86.5 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 146.8 | 172.9 | -77 | -86.9 | 0 | 0 | 0 | 111.5 | E373 R520 V521 L522 L553 | E373-F487 HydrophobicContact CG-CE1 4.29Å; F487-R520 HydrophobicContact CD1-CB 4.03Å; F487-R520 HydrophobicContact CD1-CG 3.54Å; F487-R520 HydrophobicContact CE1-CG 3.92Å; F487-R520 HydrophobicContact CG-CG 4.33Å; F487-V521 CarbonylContact C-O 3.53Å; F487-V521 VanDerWaalsContact CA-O 3.22Å; F487-V521 WeakPolarHBondContact CA-O 3.3Å; F487-L522 HydrophobicContact CD1-CB 3.82Å; F487-L522 HydrophobicContact CD2-CB 4.43Å; F487-L522 HydrophobicContact CD2-CD1 4.09Å; F487-L522 HydrophobicContact CE1-CB 3.59Å; F487-L522 HydrophobicContact CE2-CB 4.2Å; F487-L522 HydrophobicContact CE2-CD1 4.19Å; F487-L522 HydrophobicContact CE2-CD2 4.37Å; F487-L522 HydrophobicContact CE2-CG 4.49Å; F487-L522 HydrophobicContact CG-CB 4.25Å; F487-L522 HydrophobicContact CG-CD1 4.4Å; F487-L522 HydrophobicContact CZ-CB 3.79Å; F487-L522 HydrophobicContact CZ-CD2 4.31Å; F487-L522 HydrophobicContact CZ-CG 4.46Å; F487-L553 HydrophobicContact CE2-CD2 4.1Å; F487-L553 HydrophobicContact CZ-CD2 4.01Å |
| 488 | I | 95 | Very high | 86.2 | Confident | 18 Ų | 18 | 26.2 Ų | 26.2 | 9% | 0.092 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.9 | 167.5 | -60.1 | 176.1 | 0 | 0 | 0 | 108 | F445 I464 F483 R520 V521 L523 | F445-I488 HydrophobicContact CD2-CD1 4.5Å; I464-I488 HydrophobicContact CD1-CD1 3.49Å; I464-I488 VanDerWaalsContact CD1-CD1 3.49Å; I464-I488 HydrophobicContact CG1-CD1 3.59Å; F483-I488 HydrophobicContact CE1-CD1 3.9Å; F483-I488 HydrophobicContact CE1-CG1 3.89Å; F483-I488 HydrophobicContact CE2-CG1 4.45Å; F483-I488 HydrophobicContact CZ-CD1 3.82Å; F483-I488 HydrophobicContact CZ-CG1 3.51Å; I488-R520 CarbonylContact O-C 3.52Å; I488-R520 WeakPolarHBondContact O-CA 3.4Å; I488-R520 WeakPolarHBondContact O-CB 3.32Å; I488-V521 HydrophobicContact CB-CG1 4.07Å; I488-V521 PolarHBondContact N-O 2.84Å; I488-V521 PolarHBondContact O-N 2.89Å; I488-L523 HydrophobicContact CD1-CD1 4.07Å; I488-L523 HydrophobicContact CD1-CD2 3.87Å; I488-L523 HydrophobicContact CD1-CG 4.05Å |
| 489 | N | 95.7 | Very high | 85.3 | Confident | 18 Ų | 18 | 30.2 Ų | 30.2 | 10% | 0.096 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.6 | 178.4 | -67.5 | -53.8 | 0 | 0 | 0 | 111.2 | Y491 M756 S757 I758 P759 | N489-Y491 HydrophobicContact CB-CE2 3.69Å; N489-M756 PolarHBondContact ND2-O 2.65Å; N489-S757 VanDerWaalsContact ND2-C 3.32Å; N489-S757 PolarHBondContact ND2-O 3.28Å; N489-S757 PolarHBondContact OD1-O 2.93Å; N489-I758 VanDerWaalsContact ND2-C 3.31Å; N489-I758 PolarHBondContact ND2-O 3.5Å; N489-P759 WeakPolarHBondContact OD1-CG 3.41Å |
| 490 | L | 94.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.8 | 178.2 | -52.9 | 177.1 | 0 | 0 | 0 | 109.4 | L375 F447 G462 R518 G519 V521 | L375-L490 HydrophobicContact CD2-CD1 4.14Å; F447-L490 HydrophobicContact CD2-CD1 3.57Å; F447-L490 HydrophobicContact CD2-CD2 3.99Å; F447-L490 HydrophobicContact CD2-CG 4.46Å; F447-L490 HydrophobicContact CE2-CD1 4.03Å; F447-L490 HydrophobicContact CE2-CD2 3.98Å; F447-L490 HydrophobicContact CG-CD1 4.14Å; G462-L490 VanDerWaalsContact N-CD2 3.34Å; L490-R518 HydrophobicContact CB-CB 4.23Å; L490-R518 PolarHBondContact O-N 3.09Å; L490-G519 WeakPolarHBondContact CA-O 3.31Å; L490-G519 VanDerWaalsContact CB-O 3.31Å; L490-G519 WeakPolarHBondContact CB-O 3.44Å; L490-G519 PolarHBondContact N-O 2.99Å; L490-V521 HydrophobicContact CD2-CG1 4.42Å |
| 491 | Y | 93.9 | Very high | 83.3 | Confident | 31 Ų | 31 | 38 Ų | 38 | 12% | 0.122 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.3 | 176 | -62.7 | -84.9 | 0 | 0 | 0 | 111.2 | N489 A516 D760 R776 | N489-Y491 HydrophobicContact CB-CE2 3.69Å; Y491-A516 CarbonylContact C-O 3.57Å; Y491-A516 VanDerWaalsContact CA-O 3.26Å; Y491-A516 WeakPolarHBondContact CA-O 2.91Å; Y491-D760 HydrophobicContact CE1-CB 4.37Å; Y491-D760 WeakPolarHBondContact OH-CB 3.06Å; Y491-D760 PolarHBondContact OH-N 3.13Å; Y491-D760 PolarHBondContact OH-OD1 2.89Å; Y491-R776 VanDerWaalsContact CE2-NH2 3.3Å; Y491-R776 VanDerWaalsContact CZ-NH2 3.34Å |
| 492 | G | 91.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -151.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N508 G514 V515 A516 | G492-N508 WeakPolarHBondContact CA-OD1 3.5Å; G492-G514 CarbonylContact O-C 3.53Å; G492-V515 WeakPolarHBondContact O-CG2 3.45Å; G492-V515 PolarHBondContact O-N 3.34Å; G492-A516 PolarHBondContact N-O 3.46Å; G492-A516 PolarHBondContact O-N 2.82Å; G492-A516 VanDerWaalsContact O-N 3.09Å |
| 493 | S | 89.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -68.3 | 160.5 | -177.5 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | R495 D502 N508 A516 | S493-R495 PolarHBondContact O-N 2.83Å; S493-D502 WeakPolarHBondContact CB-OD2 3.41Å; S493-D502 PolarHBondContact OG-OD2 2.81Å; S493-N508 PolarHBondContact N-OD1 2.87Å; S493-N508 PolarHBondContact OG-ND2 3Å; S493-N508 PolarHBondContact OG-OD1 3.13Å; S493-A516 WeakPolarHBondContact O-CB 3.47Å |
| 494 | P | 84.8 | Confident | 81.3 | Confident | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | trans | -53 | 131.3 | 174.4 | -23.1 | 32.6 | 0 | 0 | 0 | 112 | E496 Y504 V515 W764 P806 | P494-E496 PolarHBondContact O-N 3.06Å; P494-Y504 HydrophobicContact CG-CD2 4.14Å; P494-Y504 HydrophobicContact CG-CE2 4.48Å; P494-V515 HydrophobicContact CG-CG2 3.72Å; P494-W764 HydrophobicContact CB-CH2 4.2Å; P494-W764 HydrophobicContact CG-CH2 4.3Å; P494-P806 HydrophobicContact CG-CB 4.25Å; P494-P806 HydrophobicContact CG-CG 3.95Å | ||
| 495 | R | 74.7 | Confident | 80.9 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | trans | -74.2 | 87.5 | 169.3 | -75.1 | -178.1 | 165.7 | -167 | -4.8 | 108.5 | D374 P376 S493 Y517 N586 L591 D592 R771 | D374-R495 PolarHBondContact O-NH2 3.03Å; P376-R495 VanDerWaalsContact CD-NH2 3.32Å; S493-R495 PolarHBondContact O-N 2.83Å; R495-Y517 PolarHBondContact NE-O 3.21Å; R495-N586 PolarHBondContact NH1-OD1 3.18Å; R495-L591 WeakPolarHBondContact O-CD1 3.28Å; R495-D592 IonicContact CZ-OD2 2.59Å; R495-D592 IonicContact NH1-OD2 3.67Å; R495-D592 PolarHBondContact NH1-OD2 3.13Å; R495-R771 PolarHBondContact O-NH1 2.72Å | ||
| 496 | E | 66.5 | Low | 80.5 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 40% | 0.402 | 29% | 0.286 | S | S | . | . | trans | -126.8 | 129.7 | 166 | -67.2 | -165.5 | 157.9 | 0 | 0 | 108.9 | P494 S498 R771 | P494-E496 PolarHBondContact O-N 3.06Å; E496-S498 PolarHBondContact O-N 2.84Å; E496-R771 WeakPolarHBondContact OE1-CB 3.36Å; E496-R771 PolarHBondContact OE1-N 3.33Å | ||
| 497 | Y | 60.9 | Low | 80.2 | Confident | 142 Ų | 142 | 56.4 Ų | 56.4 | 56% | 0.557 | 29% | 0.285 | S | S | * | . | trans | -74.6 | 114.2 | 174.1 | -69.5 | -73.9 | 0 | 0 | 0 | 109.3 | R377 | R377-Y497 HydrophobicContact CB-CE1 4.31Š| ||
| 498 | S | 56.7 | Low | 80 | Confident | 62 Ų | 62 | 56.3 Ų | 56.3 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | trans | -136.2 | 137.2 | -179.5 | 152 | 0 | 0 | 0 | 0 | 108.9 | E496 L500 | E496-S498 PolarHBondContact O-N 2.84Å; S498-L500 PolarHBondContact O-N 2.93Å; S498-L500 WeakPolarHBondContact OG-CA 3.43Å; S498-L500 WeakPolarHBondContact OG-CB 3.24Å; S498-L500 PolarHBondContact OG-N 2.89Å; S498-L500 PolarHBondContact OG-O 2.91Å | ||
| 499 | D | 55 | Low | 79.7 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -72.7 | -9.7 | 171.7 | -60.9 | -37.9 | 0 | 0 | 0 | 112.4 | A382 | A382-D499 VanDerWaalsContact CB-OD1 3.25Å; A382-D499 WeakPolarHBondContact CB-OD1 3.47Å |
| 500 | L | 63.6 | Low | 79.1 | Confident | 128 Ų | 128 | 58.7 Ų | 58.7 | 67% | 0.67 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -90.4 | 147.9 | 175.4 | -60.3 | 171.8 | 0 | 0 | 0 | 111.2 | S498 | S498-L500 PolarHBondContact O-N 2.93Å; S498-L500 WeakPolarHBondContact OG-CA 3.43Å; S498-L500 WeakPolarHBondContact OG-CB 3.24Å; S498-L500 PolarHBondContact OG-N 2.89Å; S498-L500 PolarHBondContact OG-O 2.91Å |
| 501 | P | 67 | Low | 78.6 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 73% | 0.734 | 33% | 0.329 | S | S | * | . | trans | -57.8 | 142.2 | 175.9 | 22.9 | -32.7 | 0 | 0 | 0 | 111.7 | K503 | P501-K503 PolarHBondContact O-N 3.24Å; P501-K503 VanDerWaalsContact O-N 3.13Å | ||
| 502 | D | 73.8 | Confident | 78.1 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | trans | -66.5 | 110.9 | -178.2 | -178.5 | 5.9 | 0 | 0 | 0 | 110.8 | S493 Y504 E505 | S493-D502 WeakPolarHBondContact CB-OD2 3.41Å; S493-D502 PolarHBondContact OG-OD2 2.81Å; D502-Y504 PolarHBondContact O-N 3.48Å; D502-Y504 VanDerWaalsContact O-N 3.12Å; D502-Y504 WeakPolarHBondContact OD1-CA 3.3Å; D502-Y504 PolarHBondContact OD1-N 3.02Å; D502-E505 HydrophobicContact CB-CB 4.33Å; D502-E505 WeakPolarHBondContact O-CB 3.21Å; D502-E505 PolarHBondContact O-N 2.87Å | ||
| 503 | K | 80.2 | Confident | 77.8 | Confident | 173 Ų | 173 | 68.2 Ų | 68.2 | 75% | 0.752 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.4 | 177.9 | -64.7 | -179.7 | -178 | 176.1 | 0 | 112.5 | P501 L808 | P501-K503 PolarHBondContact O-N 3.24Å; P501-K503 VanDerWaalsContact O-N 3.13Å; K503-L808 WeakPolarHBondContact O-CD1 3.3Å |
| 504 | Y | 85.5 | Confident | 77.7 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 29% | 0.286 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 13.2 | -176.8 | -58.9 | -73.7 | 0 | 0 | 0 | 113.6 | P494 D502 A506 L507 P806 L808 | P494-Y504 HydrophobicContact CG-CD2 4.14Å; P494-Y504 HydrophobicContact CG-CE2 4.48Å; D502-Y504 PolarHBondContact O-N 3.48Å; D502-Y504 VanDerWaalsContact O-N 3.12Å; D502-Y504 WeakPolarHBondContact OD1-CA 3.3Å; D502-Y504 PolarHBondContact OD1-N 3.02Å; Y504-A506 PolarHBondContact O-N 2.72Å; Y504-L507 HydrophobicContact CD1-CD1 4.41Å; Y504-L507 VanDerWaalsContact O-CB 3.29Å; Y504-L507 WeakPolarHBondContact O-CB 3.38Å; Y504-L507 WeakPolarHBondContact O-CG 3.43Å; Y504-L507 PolarHBondContact O-N 2.7Å; Y504-P806 HydrophobicContact CD1-CB 4.24Å; Y504-P806 HydrophobicContact CE1-CB 3.8Å; Y504-P806 VanDerWaalsContact CE1-O 3.24Å; Y504-P806 WeakPolarHBondContact CE1-O 3.5Å; Y504-P806 HydrophobicContact CE2-CB 4.24Å; Y504-P806 PolarHBondContact OH-O 2.84Å; Y504-L808 HydrophobicContact CD1-CD2 4.17Å; Y504-L808 HydrophobicContact CD1-CG 4.1Å |
| 505 | E | 85.4 | Confident | 78 | Confident | 83 Ų | 83 | 67.6 Ų | 67.6 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -50.8 | -33.8 | -177.2 | -171.4 | -168.4 | 161.2 | 0 | 0 | 113.6 | P458 D502 L507 N508 | P458-E505 WeakPolarHBondContact CD-OE1 3.28Å; P458-E505 HydrophobicContact CG-CG 3.74Å; D502-E505 HydrophobicContact CB-CB 4.33Å; D502-E505 WeakPolarHBondContact O-CB 3.21Å; D502-E505 PolarHBondContact O-N 2.87Å; E505-L507 PolarHBondContact O-N 2.77Å; E505-L507 VanDerWaalsContact O-N 3.12Å; E505-N508 VanDerWaalsContact O-CB 3.3Å; E505-N508 WeakPolarHBondContact O-CB 3.38Å; E505-N508 PolarHBondContact O-N 2.97Å |
| 506 | A | 85.4 | Confident | 78.8 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 28% | 0.281 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -57.3 | -28 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y504 N508 L509 K511 L808 | Y504-A506 PolarHBondContact O-N 2.72Å; A506-N508 VanDerWaalsContact C-N 3.29Å; A506-N508 PolarHBondContact O-N 2.82Å; A506-L509 PolarHBondContact O-N 3.36Å; A506-K511 HydrophobicContact CB-CB 4.31Å; A506-K511 WeakPolarHBondContact O-CB 3.26Å; A506-K511 PolarHBondContact O-N 3.19Å; A506-L808 HydrophobicContact CB-CD2 4.15Å |
| 507 | L | 89.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -65.3 | -32.9 | 174 | -60 | -176.2 | 0 | 0 | 0 | 111.8 | Y504 E505 L509 G510 V515 L808 | Y504-L507 HydrophobicContact CD1-CD1 4.41Å; Y504-L507 VanDerWaalsContact O-CB 3.29Å; Y504-L507 WeakPolarHBondContact O-CB 3.38Å; Y504-L507 WeakPolarHBondContact O-CG 3.43Å; Y504-L507 PolarHBondContact O-N 2.7Å; E505-L507 PolarHBondContact O-N 2.77Å; E505-L507 VanDerWaalsContact O-N 3.12Å; L507-L509 PolarHBondContact O-N 3.16Å; L507-G510 PolarHBondContact O-N 2.79Å; L507-V515 HydrophobicContact CD1-CG1 3.98Å; L507-L808 HydrophobicContact CD2-CD2 3.85Å; L507-L808 HydrophobicContact CG-CD2 3.8Å |
| 508 | N | 90.8 | Very high | 81.6 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.011 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -24.5 | 177.4 | -59.7 | -26.9 | 0 | 0 | 0 | 112.2 | P458 G460 T461 G492 S493 E505 A506 G510 | P458-N508 HydrophobicContact CB-CB 3.9Å; P458-N508 HydrophobicContact CG-CB 4.02Å; P458-N508 VanDerWaalsContact O-CB 3.22Å; P458-N508 WeakPolarHBondContact O-CB 3.35Å; P458-N508 PolarHBondContact O-ND2 3.4Å; G460-N508 CarbonylContact C-O 3.55Å; G460-N508 VanDerWaalsContact C-O 3.25Å; G460-N508 WeakPolarHBondContact CA-O 3.34Å; T461-N508 WeakPolarHBondContact CB-O 3.24Å; T461-N508 PolarHBondContact N-O 3.46Å; T461-N508 PolarHBondContact OG1-O 3.26Å; G492-N508 WeakPolarHBondContact CA-OD1 3.5Å; S493-N508 PolarHBondContact N-OD1 2.87Å; S493-N508 PolarHBondContact OG-ND2 3Å; S493-N508 PolarHBondContact OG-OD1 3.13Å; E505-N508 VanDerWaalsContact O-CB 3.3Å; E505-N508 WeakPolarHBondContact O-CB 3.38Å; E505-N508 PolarHBondContact O-N 2.97Å; A506-N508 VanDerWaalsContact C-N 3.29Å; A506-N508 PolarHBondContact O-N 2.82Å; N508-G510 VanDerWaalsContact C-N 3.27Å |
| 509 | L | 88.1 | Confident | 83.3 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.3 | 173.6 | -64.6 | 170.6 | 0 | 0 | 0 | 113.3 | K444 T446 F448 P458 T461 A506 L507 K511 | K444-L509 VanDerWaalsContact CE-O 3.23Å; K444-L509 WeakPolarHBondContact CE-O 3.27Å; K444-L509 PolarHBondContact NZ-O 3.31Å; T446-L509 HydrophobicContact CG2-CD2 4.27Å; F448-L509 HydrophobicContact CE1-CD2 4.26Å; F448-L509 HydrophobicContact CZ-CD2 4.11Å; P458-L509 HydrophobicContact CB-CD2 3.63Å; P458-L509 HydrophobicContact CB-CG 4.03Å; P458-L509 HydrophobicContact CG-CD2 4.04Å; P458-L509 HydrophobicContact CG-CG 4.04Å; T461-L509 WeakPolarHBondContact OG1-CA 3.18Å; A506-L509 PolarHBondContact O-N 3.36Å; L507-L509 PolarHBondContact O-N 3.16Å; L509-K511 VanDerWaalsContact C-N 3.33Å; L509-K511 HydrophobicContact CB-CG 4.38Å |
| 510 | G | 84.7 | Confident | 85.3 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 16.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | T461 L507 N508 G512 | T461-G510 PolarHBondContact OG1-N 2.91Å; L507-G510 PolarHBondContact O-N 2.79Å; N508-G510 VanDerWaalsContact C-N 3.27Å; G510-G512 PolarHBondContact O-N 3.09Å |
| 511 | K | 83.8 | Confident | 86.8 | Confident | 105 Ų | 105 | 42.3 Ų | 42.3 | 46% | 0.457 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -90.5 | 74.9 | 178.4 | -59 | -177.3 | 178.2 | -177.7 | 0 | 110.8 | A506 L509 L809 | A506-K511 HydrophobicContact CB-CB 4.31Å; A506-K511 WeakPolarHBondContact O-CB 3.26Å; A506-K511 PolarHBondContact O-N 3.19Å; L509-K511 VanDerWaalsContact C-N 3.33Å; L509-K511 HydrophobicContact CB-CG 4.38Å; K511-L809 VanDerWaalsContact C-CD1 3.48Å; K511-L809 HydrophobicContact CB-CD1 4.48Å |
| 512 | G | 82.9 | Confident | 88.2 | Confident | 27 Ų | 27 | 37 Ų | 37 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 120.7 | -179.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G510 G514 | G510-G512 PolarHBondContact O-N 3.09Å; G512-G514 PolarHBondContact O-N 3.21Å |
| 513 | Q | 85.1 | Confident | 89.3 | Confident | 99 Ų | 99 | 34.1 Ų | 34.1 | 46% | 0.463 | 18% | 0.18 | S | C | . | . | trans | -78 | 112 | 178.5 | -172.4 | 177.1 | 41.8 | 0 | 0 | 110.5 | V515 | Q513-V515 WeakPolarHBondContact O-CG1 3.44Å; Q513-V515 PolarHBondContact O-N 3.41Å | ||
| 514 | G | 88.4 | Confident | 90 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | trans | -57.7 | 132.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G492 G512 R776 | G492-G514 CarbonylContact O-C 3.53Å; G512-G514 PolarHBondContact O-N 3.21Å; G514-R776 PolarHBondContact O-NH1 3.27Å | ||
| 515 | V | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -100.4 | -23.5 | -170.8 | -51.4 | 0 | 0 | 0 | 0 | 113.2 | G492 P494 L507 Q513 W764 Y774 P806 | G492-V515 WeakPolarHBondContact O-CG2 3.45Å; G492-V515 PolarHBondContact O-N 3.34Å; P494-V515 HydrophobicContact CG-CG2 3.72Å; L507-V515 HydrophobicContact CD1-CG1 3.98Å; Q513-V515 WeakPolarHBondContact O-CG1 3.44Å; Q513-V515 PolarHBondContact O-N 3.41Å; V515-W764 HydrophobicContact CB-CH2 4.45Å; V515-W764 HydrophobicContact CG2-CH2 4Å; V515-W764 HydrophobicContact CG2-CZ2 4.45Å; V515-Y774 HydrophobicContact CB-CD1 4.11Å; V515-Y774 HydrophobicContact CB-CD2 4.18Å; V515-Y774 HydrophobicContact CB-CE1 3.69Å; V515-Y774 HydrophobicContact CB-CE2 3.76Å; V515-Y774 HydrophobicContact CB-CG 4.36Å; V515-Y774 HydrophobicContact CG1-CD1 4.34Å; V515-Y774 HydrophobicContact CG1-CE1 3.47Å; V515-Y774 VanDerWaalsContact CG1-CE1 3.47Å; V515-Y774 HydrophobicContact CG1-CE2 4.02Å; V515-Y774 WeakPolarHBondContact CG1-OH 3.49Å; V515-P806 HydrophobicContact CG1-CB 4.12Å; V515-P806 HydrophobicContact CG2-CB 4.3Å; V515-P806 HydrophobicContact CG2-CG 4.35Å | ||
| 516 | A | 91.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.033 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y491 G492 S493 W764 | Y491-A516 CarbonylContact C-O 3.57Å; Y491-A516 VanDerWaalsContact CA-O 3.26Å; Y491-A516 WeakPolarHBondContact CA-O 2.91Å; G492-A516 PolarHBondContact N-O 3.46Å; G492-A516 PolarHBondContact O-N 2.82Å; G492-A516 VanDerWaalsContact O-N 3.09Å; S493-A516 WeakPolarHBondContact O-CB 3.47Å; A516-W764 HydrophobicContact CB-CZ2 4.07Å |
| 517 | Y | 93.6 | Very high | 91.2 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 134.1 | 170 | 175.6 | -103.2 | 0 | 0 | 0 | 110.7 | D374 R495 G519 R520 G585 P759 | D374-Y517 HydrophobicContact CB-CE1 3.68Å; D374-Y517 PolarHBondContact OD2-OH 2.79Å; R495-Y517 PolarHBondContact NE-O 3.21Å; Y517-G519 WeakPolarHBondContact CE2-O 3.25Å; Y517-G519 VanDerWaalsContact CZ-C 3.43Å; Y517-G519 VanDerWaalsContact CZ-CA 3.41Å; Y517-R520 HydrophobicContact CE2-CB 4.31Å; Y517-R520 WeakPolarHBondContact OH-CD 3.29Å; Y517-R520 WeakPolarHBondContact OH-CG 3.41Å; Y517-G585 VanDerWaalsContact CD1-C 3.46Å; Y517-G585 VanDerWaalsContact CD1-CA 3.43Å; Y517-P759 HydrophobicContact CD2-CB 4.03Å; Y517-P759 HydrophobicContact CD2-CG 4.25Å; Y517-P759 HydrophobicContact CE2-CB 4.06Å; Y517-P759 HydrophobicContact CE2-CG 3.77Å |
| 518 | R | 92.3 | Very high | 91.2 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 20.7 | -175.6 | -57.3 | -67.8 | -71.4 | -175.7 | 2.4 | 112.1 | P376 M378 I459 L490 | P376-R518 WeakPolarHBondContact CD-O 3.42Å; P376-R518 HydrophobicContact CG-CB 4.33Å; P376-R518 VanDerWaalsContact CG-CZ 3.46Å; M378-R518 PolarHBondContact SD-NH2 2.77Å; I459-R518 WeakPolarHBondContact O-CB 3.17Å; I459-R518 PolarHBondContact O-NE 3.28Å; I459-R518 PolarHBondContact O-NH2 2.93Å; L490-R518 HydrophobicContact CB-CB 4.23Å; L490-R518 PolarHBondContact O-N 3.09Å |
| 519 | G | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.6 | -173.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E373 L490 Y517 | E373-G519 VanDerWaalsContact O-CA 3.23Å; E373-G519 WeakPolarHBondContact O-CA 3.34Å; L490-G519 WeakPolarHBondContact CA-O 3.31Å; L490-G519 VanDerWaalsContact CB-O 3.31Å; L490-G519 WeakPolarHBondContact CB-O 3.44Å; L490-G519 PolarHBondContact N-O 2.99Å; Y517-G519 WeakPolarHBondContact CE2-O 3.25Å; Y517-G519 VanDerWaalsContact CZ-C 3.43Å; Y517-G519 VanDerWaalsContact CZ-CA 3.41Å |
| 520 | R | 95.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.6 | -179.5 | 63.2 | -176.5 | -165.4 | 155.6 | 7.1 | 110.9 | A372 E373 F487 I488 Y517 R555 W632 E633 | A372-R520 CarbonylContact C-O 3.5Å; A372-R520 WeakPolarHBondContact CA-O 3.44Å; A372-R520 VanDerWaalsContact CB-O 3.32Å; A372-R520 WeakPolarHBondContact CB-O 3.45Å; E373-R520 HydrophobicContact CB-CG 4.28Å; E373-R520 PolarHBondContact N-O 2.88Å; E373-R520 PolarHBondContact O-N 3Å; E373-R520 IonicContact OE2-CZ 2.72Å; E373-R520 IonicContact OE2-NE 2.83Å; E373-R520 PolarHBondContact OE2-NE 2.82Å; E373-R520 VanDerWaalsContact OE2-NE 3.08Å; E373-R520 IonicContact OE2-NH2 2.7Å; E373-R520 PolarHBondContact OE2-NH2 2.68Å; F487-R520 HydrophobicContact CD1-CB 4.03Å; F487-R520 HydrophobicContact CD1-CG 3.54Å; F487-R520 HydrophobicContact CE1-CG 3.92Å; F487-R520 HydrophobicContact CG-CG 4.33Å; I488-R520 CarbonylContact O-C 3.52Å; I488-R520 WeakPolarHBondContact O-CA 3.4Å; I488-R520 WeakPolarHBondContact O-CB 3.32Å; Y517-R520 HydrophobicContact CE2-CB 4.31Å; Y517-R520 WeakPolarHBondContact OH-CD 3.29Å; Y517-R520 WeakPolarHBondContact OH-CG 3.41Å; R520-R555 VanDerWaalsContact NH2-CZ 3.31Å; R520-W632 VanDerWaalsContact NH1-CE3 3.29Å; R520-E633 IonicContact CZ-OE2 3.73Å; R520-E633 IonicContact NH1-OE1 2.81Å; R520-E633 PolarHBondContact NH1-OE1 3.05Å; R520-E633 IonicContact NH1-OE2 3.3Å; R520-E633 PolarHBondContact NH1-OE2 2.97Å; R520-E633 IonicContact NH2-OE2 3.48Å; R520-E633 PolarHBondContact NH2-OE2 3.23Å |
| 521 | V | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131 | -179.7 | 59.5 | 0 | 0 | 0 | 0 | 111 | L369 M371 A372 F447 F487 I488 L490 L523 | L369-V521 HydrophobicContact CD1-CG2 3.46Å; L369-V521 VanDerWaalsContact CD1-CG2 3.46Å; M371-V521 WeakPolarHBondContact O-CG2 3.49Å; A372-V521 HydrophobicContact CB-CB 4.23Å; A372-V521 HydrophobicContact CB-CG2 4.41Å; F447-V521 HydrophobicContact CE1-CB 4.4Å; F447-V521 HydrophobicContact CE1-CG2 4.16Å; F447-V521 HydrophobicContact CE2-CB 4.19Å; F447-V521 HydrophobicContact CE2-CG1 3.88Å; F447-V521 HydrophobicContact CZ-CB 3.73Å; F447-V521 HydrophobicContact CZ-CG1 3.79Å; F447-V521 HydrophobicContact CZ-CG2 3.66Å; F487-V521 CarbonylContact C-O 3.53Å; F487-V521 VanDerWaalsContact CA-O 3.22Å; F487-V521 WeakPolarHBondContact CA-O 3.3Å; I488-V521 HydrophobicContact CB-CG1 4.07Å; I488-V521 PolarHBondContact N-O 2.84Å; I488-V521 PolarHBondContact O-N 2.89Å; L490-V521 HydrophobicContact CD2-CG1 4.42Å; V521-L523 HydrophobicContact CG1-CD2 4.13Å; V521-L523 HydrophobicContact CG2-CD2 4.47Å |
| 522 | L | 96.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118.5 | 170.8 | -179.8 | 60.8 | 0 | 0 | 0 | 109.4 | Y370 M371 P485 F487 I549 L553 | Y370-L522 HydrophobicContact CD2-CG 4.12Å; Y370-L522 HydrophobicContact CG-CG 4.49Å; Y370-L522 PolarHBondContact N-O 2.98Å; M371-L522 HydrophobicContact CG-CB 4.12Å; M371-L522 HydrophobicContact CG-CD2 4.4Å; M371-L522 PolarHBondContact O-N 2.93Å; P485-L522 HydrophobicContact CB-CD1 4.37Å; F487-L522 HydrophobicContact CD1-CB 3.82Å; F487-L522 HydrophobicContact CD2-CB 4.43Å; F487-L522 HydrophobicContact CD2-CD1 4.09Å; F487-L522 HydrophobicContact CE1-CB 3.59Å; F487-L522 HydrophobicContact CE2-CB 4.2Å; F487-L522 HydrophobicContact CE2-CD1 4.19Å; F487-L522 HydrophobicContact CE2-CD2 4.37Å; F487-L522 HydrophobicContact CE2-CG 4.49Å; F487-L522 HydrophobicContact CG-CB 4.25Å; F487-L522 HydrophobicContact CG-CD1 4.4Å; F487-L522 HydrophobicContact CZ-CB 3.79Å; F487-L522 HydrophobicContact CZ-CD2 4.31Å; F487-L522 HydrophobicContact CZ-CG 4.46Å; L522-I549 HydrophobicContact CD2-CD1 3.89Å; L522-L553 HydrophobicContact CD2-CD2 3.76Å; L522-L553 HydrophobicContact CD2-CG 4.47Å |
| 523 | L | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 166.4 | 175.7 | 64.7 | 82.3 | 0 | 0 | 0 | 111.9 | L368 F445 I464 F483 P485 S486 I488 V521 | L368-L523 VanDerWaalsContact O-CA 3.24Å; L368-L523 WeakPolarHBondContact O-CA 3.22Å; F445-L523 HydrophobicContact CD1-CD2 3.85Å; F445-L523 HydrophobicContact CD2-CD2 4.26Å; F445-L523 HydrophobicContact CE1-CD2 3.68Å; F445-L523 HydrophobicContact CE2-CD2 4.09Å; F445-L523 HydrophobicContact CG-CD2 4.14Å; F445-L523 HydrophobicContact CZ-CD1 4.39Å; F445-L523 HydrophobicContact CZ-CD2 3.79Å; I464-L523 HydrophobicContact CD1-CD1 4.21Å; F483-L523 HydrophobicContact CD1-CD1 3.56Å; F483-L523 HydrophobicContact CE1-CD1 3.63Å; F483-L523 HydrophobicContact CE1-CG 4.34Å; P485-L523 WeakPolarHBondContact CA-O 3.43Å; S486-L523 PolarHBondContact N-O 3.27Å; S486-L523 VanDerWaalsContact N-O 3.08Å; S486-L523 PolarHBondContact O-N 2.81Å; I488-L523 HydrophobicContact CD1-CD1 4.07Å; I488-L523 HydrophobicContact CD1-CD2 3.87Å; I488-L523 HydrophobicContact CD1-CG 4.05Å; V521-L523 HydrophobicContact CG1-CD2 4.13Å; V521-L523 HydrophobicContact CG2-CD2 4.47Å |
| 524 | E | 95.9 | Very high | 88.5 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 141.9 | 172.3 | 175 | -176.4 | -176.9 | 0 | 0 | 108.3 | I367 L368 Y370 F483 P485 R548 | I367-E524 CarbonylContact C-O 3.54Å; I367-E524 WeakPolarHBondContact CA-O 3.29Å; L368-E524 HydrophobicContact CB-CB 4.22Å; L368-E524 PolarHBondContact N-O 3.26Å; L368-E524 PolarHBondContact O-N 3.13Å; Y370-E524 HydrophobicContact CE2-CB 3.88Å; Y370-E524 PolarHBondContact OH-OE2 2.95Å; F483-E524 CarbonylContact O-C 3.57Å; F483-E524 VanDerWaalsContact O-CA 3.29Å; F483-E524 WeakPolarHBondContact O-CA 3.39Å; P485-E524 HydrophobicContact CB-CB 4.49Å; P485-E524 HydrophobicContact CG-CB 4.3Å; P485-E524 HydrophobicContact CG-CG 4.32Å; P485-E524 WeakPolarHBondContact CG-OE2 3.22Å; E524-R548 IonicContact OE1-CZ 3.52Å; E524-R548 IonicContact OE1-NH1 3.21Å; E524-R548 IonicContact OE1-NH2 3.48Å; E524-R548 PolarHBondContact OE1-NH2 2.89Å; E524-R548 IonicContact OE2-CZ 2.71Å; E524-R548 IonicContact OE2-NH2 2.85Å; E524-R548 PolarHBondContact OE2-NH2 2.78Å |
| 525 | L | 96.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.5 | 177.6 | 169 | 69.5 | 0 | 0 | 0 | 108.1 | F365 K366 I367 L443 I469 T482 F483 | F365-L525 HydrophobicContact CB-CD1 3.61Å; F365-L525 HydrophobicContact CD1-CD1 3.74Å; F365-L525 HydrophobicContact CD2-CD1 4.31Å; F365-L525 HydrophobicContact CE1-CD1 4.46Å; F365-L525 HydrophobicContact CG-CD1 3.65Å; K366-L525 WeakPolarHBondContact O-CA 3.47Å; I367-L525 HydrophobicContact CD1-CD1 4.46Å; I367-L525 HydrophobicContact CG1-CD1 3.64Å; L443-L525 HydrophobicContact CD2-CD2 3.84Å; I469-L525 HydrophobicContact CD1-CD2 3.48Å; I469-L525 VanDerWaalsContact CD1-CD2 3.48Å; T482-L525 WeakPolarHBondContact CA-O 3.38Å; F483-L525 HydrophobicContact CB-CB 4.11Å; F483-L525 PolarHBondContact N-O 2.98Å; F483-L525 PolarHBondContact O-N 2.94Å |
| 526 | S | 93.4 | Very high | 87.3 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.1 | 167.8 | 60.4 | 0 | 0 | 0 | 0 | 109.7 | K366 | K366-S526 PolarHBondContact N-O 3.02Å; K366-S526 PolarHBondContact O-N 3.36Å |
| 527 | T | 91.9 | Very high | 87 | Confident | 16 Ų | 16 | 45 Ų | 45 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.3 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | A363 I364 F365 F436 L480 P481 | A363-T527 HydrophobicContact CB-CG2 4.42Å; I364-T527 WeakPolarHBondContact O-CA 3.48Å; F365-T527 HydrophobicContact CD1-CG2 4.28Å; F365-T527 WeakPolarHBondContact CD1-OG1 3.38Å; F365-T527 HydrophobicContact CE1-CG2 4.21Å; F365-T527 VanDerWaalsContact CE1-OG1 3.24Å; F365-T527 WeakPolarHBondContact CE1-OG1 3.3Å; F436-T527 HydrophobicContact CD2-CG2 4.37Å; L480-T527 HydrophobicContact CB-CG2 4.37Å; L480-T527 HydrophobicContact CD1-CG2 4.35Å; P481-T527 WeakPolarHBondContact CB-OG1 3.05Å; P481-T527 PolarHBondContact O-OG1 3.43Å |
| 528 | E | 89.3 | Confident | 86.9 | Confident | 73 Ų | 73 | 47.2 Ų | 47.2 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.7 | 172.5 | -68.2 | 177.1 | -166.7 | 0 | 0 | 109.9 | A363 I364 K366 | A363-E528 CarbonylContact C-O 3.53Å; A363-E528 WeakPolarHBondContact CA-O 3.49Å; A363-E528 VanDerWaalsContact CB-O 3.3Å; A363-E528 WeakPolarHBondContact CB-O 3.21Å; I364-E528 HydrophobicContact CD1-CB 4.32Å; I364-E528 HydrophobicContact CG1-CB 3.87Å; I364-E528 PolarHBondContact N-O 3.26Å; I364-E528 PolarHBondContact O-N 3.15Å; I364-E528 VanDerWaalsContact O-N 3.08Å; K366-E528 WeakPolarHBondContact CD-OE1 3.48Å; K366-E528 VanDerWaalsContact CE-CD 3.43Å; K366-E528 VanDerWaalsContact CE-OE1 3.3Å; K366-E528 WeakPolarHBondContact CE-OE1 3.13Å; K366-E528 WeakPolarHBondContact CE-OE2 3.25Å; K366-E528 IonicContact NZ-OE1 3.71Å; K366-E528 PolarHBondContact NZ-OE1 3.15Å; K366-E528 IonicContact NZ-OE2 3.77Å; K366-E528 PolarHBondContact NZ-OE2 2.88Å |
| 529 | L | 84.6 | Confident | 86.8 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.1 | 173.2 | -55.5 | 179.8 | 0 | 0 | 0 | 108.7 | A363 F436 L480 | A363-L529 HydrophobicContact CB-CD2 3.81Å; F436-L529 HydrophobicContact CB-CD2 3.97Å; F436-L529 HydrophobicContact CD1-CD2 3.72Å; F436-L529 HydrophobicContact CE1-CD2 4.47Å; F436-L529 HydrophobicContact CG-CD2 3.85Å; L480-L529 HydrophobicContact CD1-CD1 4.16Å; L480-L529 HydrophobicContact CD1-CD2 4.3Å; L480-L529 HydrophobicContact CD1-CG 3.93Å |
| 530 | L | 80.3 | Confident | 86.8 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | trans | -127.7 | 158.5 | -176.3 | -61.6 | 176 | 0 | 0 | 0 | 111 | P362 I364 T534 | P362-L530 PolarHBondContact O-N 2.81Å; I364-L530 HydrophobicContact CB-CD1 4.5Å; I364-L530 HydrophobicContact CD1-CD1 3.79Å; I364-L530 HydrophobicContact CG1-CD1 3.86Å; I364-L530 HydrophobicContact CG1-CG 4.43Å; I364-L530 HydrophobicContact CG2-CD1 3.9Å; L530-T534 HydrophobicContact CD1-CG2 4.05Å | ||
| 531 | D | 74.1 | Confident | 86.5 | Confident | 164 Ų | 164 | 56.7 Ų | 56.7 | 88% | 0.877 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -80.9 | -32.5 | 173.8 | -65.4 | -38.7 | 0 | 0 | 0 | 112.2 | ||
| 532 | E | 73.6 | Confident | 86.2 | Confident | 135 Ų | 135 | 62.4 Ų | 62.4 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -129.3 | 145.5 | 179.4 | -66.9 | -171.5 | 171.3 | 0 | 0 | 111.1 | ||
| 533 | P | 71.5 | Confident | 85.7 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 137.6 | 175.1 | 28.3 | -33.3 | 0 | 0 | 0 | 110.6 | ||
| 534 | T | 73.9 | Confident | 85.4 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 169.7 | 170.3 | 38.4 | 0 | 0 | 0 | 0 | 110.9 | I364 N433 L530 | I364-T534 VanDerWaalsContact CG2-OG1 3.22Å; I364-T534 WeakPolarHBondContact CG2-OG1 3.32Å; N433-T534 PolarHBondContact ND2-O 3.31Å; N433-T534 PolarHBondContact OD1-N 3.29Å; N433-T534 VanDerWaalsContact OD1-N 3.09Å; N433-T534 PolarHBondContact OD1-O 3.37Å; N433-T534 PolarHBondContact OD1-OG1 3.01Å; L530-T534 HydrophobicContact CD1-CG2 4.05Å |
| 535 | A | 75.4 | Confident | 84.9 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 59% | 0.587 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 138.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L537 | A535-L537 HydrophobicContact CB-CD2 4.33Å; A535-L537 VanDerWaalsContact O-CD2 3.24Å; A535-L537 WeakPolarHBondContact O-CD2 3Å; A535-L537 WeakPolarHBondContact O-CG 3.39Å; A535-L537 PolarHBondContact O-N 3.22Å |
| 536 | D | 77.7 | Confident | 84.5 | Confident | 74 Ų | 74 | 77.9 Ų | 77.9 | 40% | 0.396 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 120.5 | 168.1 | -72 | -23 | 0 | 0 | 0 | 107.9 | I413 T431 N433 | I413-D536 HydrophobicContact CD1-CB 3.86Å; T431-D536 WeakPolarHBondContact O-CA 3.26Å; N433-D536 PolarHBondContact N-OD1 3.36Å; N433-D536 PolarHBondContact ND2-OD1 3.04Å |
| 537 | L | 85.7 | Confident | 84.2 | Confident | 71 Ų | 71 | 79.4 Ų | 79.4 | 37% | 0.372 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 150.3 | -173.7 | 59 | 96.3 | 0 | 0 | 0 | 111.8 | T431 A535 K539 | T431-L537 PolarHBondContact N-O 3.36Å; T431-L537 PolarHBondContact O-N 3.05Å; A535-L537 HydrophobicContact CB-CD2 4.33Å; A535-L537 VanDerWaalsContact O-CD2 3.24Å; A535-L537 WeakPolarHBondContact O-CD2 3Å; A535-L537 WeakPolarHBondContact O-CG 3.39Å; A535-L537 PolarHBondContact O-N 3.22Å; L537-K539 HydrophobicContact CD1-CB 4.2Å; L537-K539 HydrophobicContact CD1-CD 3.95Å; L537-K539 HydrophobicContact CD1-CG 4.03Å |
| 538 | V | 90.6 | Very high | 84 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 33% | 0.327 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.5 | 172.2 | -175.7 | 0 | 0 | 0 | 0 | 106.8 | I413 E428 E429 I430 | I413-V538 HydrophobicContact CG2-CG2 3.56Å; E428-V538 HydrophobicContact CB-CG1 4Å; E428-V538 HydrophobicContact CG-CG1 4.14Å; E429-V538 WeakPolarHBondContact O-CA 3.26Å; I430-V538 HydrophobicContact CG1-CG1 4.27Å; I430-V538 HydrophobicContact CG1-CG2 4.17Å |
| 539 | K | 91.8 | Very high | 83.9 | Confident | 84 Ų | 84 | 81.5 Ų | 81.5 | 37% | 0.365 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.7 | 178.6 | 66 | 178.7 | -179.8 | -171.9 | 0 | 111 | E428 E429 L537 | E428-K539 CarbonylContact C-O 3.55Å; E428-K539 WeakPolarHBondContact CA-O 3.15Å; E429-K539 HydrophobicContact CB-CG 4Å; E429-K539 PolarHBondContact N-O 3.06Å; E429-K539 PolarHBondContact O-N 2.62Å; E429-K539 WeakPolarHBondContact OE1-CE 3.39Å; E429-K539 IonicContact OE1-NZ 2.72Å; E429-K539 PolarHBondContact OE1-NZ 2.87Å; E429-K539 IonicContact OE2-NZ 3.39Å; L537-K539 HydrophobicContact CD1-CB 4.2Å; L537-K539 HydrophobicContact CD1-CD 3.95Å; L537-K539 HydrophobicContact CD1-CG 4.03Å |
| 540 | P | 92.4 | Very high | 83.9 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 143.7 | 171.6 | -20.1 | 32.2 | 0 | 0 | 0 | 111.7 | ||
| 541 | L | 90.5 | Very high | 84.1 | Confident | 20 Ų | 20 | 88.7 Ų | 88.7 | 11% | 0.105 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 147.8 | 174 | -75.6 | 172.6 | 0 | 0 | 0 | 111.8 | L368 Y370 N427 E429 K545 V546 | L368-L541 HydrophobicContact CB-CD1 4.28Å; L368-L541 HydrophobicContact CB-CD2 4.18Å; L368-L541 HydrophobicContact CD2-CD2 3.99Å; L368-L541 HydrophobicContact CG-CD2 3.77Å; Y370-L541 HydrophobicContact CD1-CD1 3.75Å; Y370-L541 HydrophobicContact CE1-CD1 3.68Å; N427-L541 HydrophobicContact CB-CB 4.45Å; N427-L541 HydrophobicContact CB-CD1 4.41Å; N427-L541 WeakPolarHBondContact O-CB 3.23Å; N427-L541 PolarHBondContact O-N 2.75Å; E429-L541 HydrophobicContact CB-CD2 3.75Å; E429-L541 HydrophobicContact CG-CD2 4.49Å; L541-K545 HydrophobicContact CD2-CD 4.05Å; L541-V546 HydrophobicContact CB-CG2 3.95Å |
| 542 | E | 88.9 | Confident | 84.6 | Confident | 120 Ų | 120 | 81.5 Ų | 81.5 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 143.8 | 170.4 | -65.8 | 178 | -175.4 | 0 | 0 | 110.7 | D544 K545 V546 | E542-D544 WeakPolarHBondContact CB-OD1 3.26Å; E542-D544 PolarHBondContact O-N 2.93Å; E542-K545 HydrophobicContact CB-CG 4.49Å; E542-K545 PolarHBondContact O-N 3.4Å; E542-V546 PolarHBondContact O-N 2.87Å |
| 543 | Q | 86.8 | Confident | 85.3 | Confident | 173 Ų | 173 | 76.9 Ų | 76.9 | 81% | 0.808 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.9 | -21.1 | -170.1 | -162.2 | 151.8 | 8.1 | 0 | 0 | 113.1 | A547 | Q543-A547 WeakPolarHBondContact O-CB 3.48Å; Q543-A547 PolarHBondContact O-N 3.49Å |
| 544 | D | 88 | Confident | 86.1 | Confident | 102 Ų | 102 | 79.9 Ų | 79.9 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 172.6 | 69.7 | -29.4 | 0 | 0 | 0 | 112.1 | E542 V546 A547 R548 | E542-D544 WeakPolarHBondContact CB-OD1 3.26Å; E542-D544 PolarHBondContact O-N 2.93Å; D544-V546 VanDerWaalsContact C-N 3.35Å; D544-A547 PolarHBondContact O-N 2.83Å; D544-R548 PolarHBondContact O-N 2.94Å |
| 545 | K | 86.2 | Confident | 87 | Confident | 50 Ų | 50 | 81 Ų | 81 | 22% | 0.217 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 175 | -64.1 | -173.2 | -178.7 | -172.3 | 0 | 110.6 | L368 E429 L541 E542 R548 I549 | L368-K545 HydrophobicContact CD2-CD 3.87Å; E429-K545 IonicContact OE2-NZ 2.79Å; E429-K545 PolarHBondContact OE2-NZ 2.74Å; L541-K545 HydrophobicContact CD2-CD 4.05Å; E542-K545 HydrophobicContact CB-CG 4.49Å; E542-K545 PolarHBondContact O-N 3.4Å; K545-R548 WeakPolarHBondContact O-CB 3.21Å; K545-R548 PolarHBondContact O-N 2.9Å; K545-I549 PolarHBondContact O-N 2.87Å |
| 546 | V | 87.6 | Confident | 87.9 | Confident | 30 Ų | 30 | 80 Ų | 80 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | N427 L541 E542 D544 I549 | N427-V546 HydrophobicContact CB-CG2 4.04Å; L541-V546 HydrophobicContact CB-CG2 3.95Å; E542-V546 PolarHBondContact O-N 2.87Å; D544-V546 VanDerWaalsContact C-N 3.35Å; V546-I549 WeakPolarHBondContact O-CG1 3.46Å |
| 547 | A | 87.6 | Confident | 88.6 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 51% | 0.512 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q543 D544 I549 Q550 | Q543-A547 WeakPolarHBondContact O-CB 3.48Å; Q543-A547 PolarHBondContact O-N 3.49Å; D544-A547 PolarHBondContact O-N 2.83Å; A547-I549 VanDerWaalsContact C-N 3.33Å; A547-I549 PolarHBondContact O-N 3.1Å; A547-Q550 WeakPolarHBondContact O-CB 3.27Å; A547-Q550 WeakPolarHBondContact O-CG 3.36Å; A547-Q550 PolarHBondContact O-N 2.84Å |
| 548 | R | 86.7 | Confident | 89.1 | Confident | 130 Ų | 130 | 78.5 Ų | 78.5 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 178.9 | -176.5 | -176.6 | 66.6 | 166.3 | 3.9 | 112.3 | Y370 E524 D544 K545 Q550 | Y370-R548 PolarHBondContact OH-NH2 2.93Å; E524-R548 IonicContact OE1-CZ 3.52Å; E524-R548 IonicContact OE1-NH1 3.21Å; E524-R548 IonicContact OE1-NH2 3.48Å; E524-R548 PolarHBondContact OE1-NH2 2.89Å; E524-R548 IonicContact OE2-CZ 2.71Å; E524-R548 IonicContact OE2-NH2 2.85Å; E524-R548 PolarHBondContact OE2-NH2 2.78Å; D544-R548 PolarHBondContact O-N 2.94Å; K545-R548 WeakPolarHBondContact O-CB 3.21Å; K545-R548 PolarHBondContact O-N 2.9Å; R548-Q550 PolarHBondContact O-N 3.03Å |
| 549 | I | 87.8 | Confident | 89.2 | Confident | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -72.4 | -13.6 | -176.4 | 65.5 | 142.8 | 0 | 0 | 0 | 114.2 | Y370 P485 L522 K545 V546 A547 K551 S552 L553 | Y370-I549 HydrophobicContact CD1-CD1 3.67Å; Y370-I549 HydrophobicContact CD1-CG1 4.07Å; Y370-I549 HydrophobicContact CD1-CG2 3.9Å; Y370-I549 HydrophobicContact CD2-CG2 4.33Å; Y370-I549 HydrophobicContact CE1-CB 4.42Å; Y370-I549 HydrophobicContact CE1-CD1 4.32Å; Y370-I549 HydrophobicContact CE1-CG1 4.24Å; Y370-I549 HydrophobicContact CE1-CG2 3.39Å; Y370-I549 HydrophobicContact CE2-CG2 3.88Å; Y370-I549 HydrophobicContact CG-CD1 3.91Å; Y370-I549 HydrophobicContact CG-CG2 4.33Å; P485-I549 HydrophobicContact CB-CG2 4.45Å; P485-I549 HydrophobicContact CG-CG2 4.38Å; L522-I549 HydrophobicContact CD2-CD1 3.89Å; K545-I549 PolarHBondContact O-N 2.87Å; V546-I549 WeakPolarHBondContact O-CG1 3.46Å; A547-I549 VanDerWaalsContact C-N 3.33Å; A547-I549 PolarHBondContact O-N 3.1Å; I549-K551 PolarHBondContact O-N 3.21Å; I549-K551 VanDerWaalsContact O-N 3.09Å; I549-S552 WeakPolarHBondContact O-CA 3.41Å; I549-S552 WeakPolarHBondContact O-CB 3.32Å; I549-S552 PolarHBondContact O-N 3.05Å; I549-L553 HydrophobicContact CD1-CD1 4.22Å; I549-L553 PolarHBondContact O-N 2.92Å |
| 550 | Q | 85.9 | Confident | 89.4 | Confident | 118 Ų | 118 | 72.4 Ų | 72.4 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -56 | -31.7 | -179.6 | -65.8 | -62.4 | -46.8 | 0 | 0 | 112.3 | A547 R548 L553 | A547-Q550 WeakPolarHBondContact O-CB 3.27Å; A547-Q550 WeakPolarHBondContact O-CG 3.36Å; A547-Q550 PolarHBondContact O-N 2.84Å; R548-Q550 PolarHBondContact O-N 3.03Å; Q550-L553 PolarHBondContact O-N 2.99Å |
| 551 | K | 82.9 | Confident | 89.5 | Confident | 156 Ų | 156 | 68.3 Ų | 68.3 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -70.9 | -34.1 | 174.6 | -65.7 | -177.2 | -179 | 178.8 | 0 | 112.9 | I549 L553 R554 P700 | I549-K551 PolarHBondContact O-N 3.21Å; I549-K551 VanDerWaalsContact O-N 3.09Å; K551-L553 VanDerWaalsContact C-N 3.25Å; K551-L553 PolarHBondContact O-N 3.38Å; K551-R554 VanDerWaalsContact O-CB 3.3Å; K551-R554 WeakPolarHBondContact O-CB 3.21Å; K551-R554 PolarHBondContact O-N 3.3Å; K551-P700 HydrophobicContact CB-CG 3.61Å; K551-P700 HydrophobicContact CD-CG 4.45Å |
| 552 | S | 85.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.6 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | I549 R554 | I549-S552 WeakPolarHBondContact O-CA 3.41Å; I549-S552 WeakPolarHBondContact O-CB 3.32Å; I549-S552 PolarHBondContact O-N 3.05Å; S552-R554 VanDerWaalsContact C-N 3.32Å |
| 553 | L | 87.5 | Confident | 90 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.5 | 173.1 | -65 | 174.8 | 0 | 0 | 0 | 113.2 | M371 F487 L522 I549 Q550 K551 R555 | M371-L553 HydrophobicContact SD-CD1 4.18Å; M371-L553 HydrophobicContact SD-CD2 4Å; F487-L553 HydrophobicContact CE2-CD2 4.1Å; F487-L553 HydrophobicContact CZ-CD2 4.01Å; L522-L553 HydrophobicContact CD2-CD2 3.76Å; L522-L553 HydrophobicContact CD2-CG 4.47Å; I549-L553 HydrophobicContact CD1-CD1 4.22Å; I549-L553 PolarHBondContact O-N 2.92Å; Q550-L553 PolarHBondContact O-N 2.99Å; K551-L553 VanDerWaalsContact C-N 3.25Å; K551-L553 PolarHBondContact O-N 3.38Å; L553-R555 PolarHBondContact O-N 2.82Å |
| 554 | R | 90.1 | Very high | 90.4 | Very high | 137 Ų | 137 | 53.5 Ų | 53.5 | 52% | 0.517 | 25% | 0.246 | S | C | . | . | trans | -65.4 | 118.4 | 177.4 | -175.6 | -176.8 | 178.5 | -167.6 | -0.9 | 109.5 | K551 S552 P696 | K551-R554 VanDerWaalsContact O-CB 3.3Å; K551-R554 WeakPolarHBondContact O-CB 3.21Å; K551-R554 PolarHBondContact O-N 3.3Å; S552-R554 VanDerWaalsContact C-N 3.32Å; R554-P696 PolarHBondContact NH1-O 3.41Å | ||
| 555 | R | 92.6 | Very high | 90.6 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 32% | 0.317 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 153.3 | 177.2 | -58 | 178.8 | -160.9 | -163.6 | 4.4 | 111.3 | E373 R520 L553 Q631 W632 | E373-R555 IonicContact OE1-NH2 2.99Å; E373-R555 PolarHBondContact OE1-NH2 2.94Å; E373-R555 IonicContact OE2-CZ 3.77Å; E373-R555 IonicContact OE2-NH1 3.13Å; E373-R555 IonicContact OE2-NH2 3.97Å; E373-R555 PolarHBondContact OE2-NH2 2.67Å; R520-R555 VanDerWaalsContact NH2-CZ 3.31Å; L553-R555 PolarHBondContact O-N 2.82Å; R555-Q631 HydrophobicContact CB-CB 4.13Å; R555-W632 CarbonylContact C-O 3.53Å; R555-W632 WeakPolarHBondContact CA-O 3.38Å |
| 556 | R | 93.7 | Very high | 90.9 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 19% | 0.192 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 160 | 166.1 | -60.6 | -175.6 | 79.1 | 160.3 | 12.7 | 109 | Y558 Q631 W632 D634 E697 L831 | R556-Y558 HydrophobicContact CB-CE2 4.31Å; R556-Q631 VanDerWaalsContact O-CA 3.24Å; R556-Q631 WeakPolarHBondContact O-CA 3.3Å; R556-W632 PolarHBondContact N-O 2.95Å; R556-W632 PolarHBondContact O-N 3.06Å; R556-D634 WeakPolarHBondContact CD-OD2 3.12Å; R556-D634 HydrophobicContact CG-CB 4.09Å; R556-D634 IonicContact CZ-OD2 3.93Å; R556-D634 IonicContact NE-OD2 3.11Å; R556-D634 IonicContact NH1-OD2 3.01Å; R556-D634 PolarHBondContact NH1-OD2 2.8Å; R556-E697 IonicContact CZ-OE2 2.97Å; R556-E697 IonicContact NH1-OE2 3.75Å; R556-E697 PolarHBondContact NH1-OE2 3.19Å; R556-E697 IonicContact NH2-OE2 2.67Å; R556-E697 PolarHBondContact NH2-OE2 3.4Å; R556-L831 HydrophobicContact CB-CD2 3.69Å; R556-L831 HydrophobicContact CG-CD2 4.44Å |
| 557 | K | 92.9 | Very high | 91.2 | Very high | 107 Ų | 107 | 47.4 Ų | 47.4 | 47% | 0.465 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.3 | 174.7 | -66.8 | 173.9 | 169.8 | -170.4 | 0 | 109.8 | Q631 E832 | K557-Q631 HydrophobicContact CG-CG 4.15Å; K557-E832 HydrophobicContact CB-CB 3.9Å; K557-E832 WeakPolarHBondContact CD-OE2 3.09Å; K557-E832 IonicContact NZ-OE1 3.1Å; K557-E832 PolarHBondContact NZ-OE1 3.01Å; K557-E832 IonicContact NZ-OE2 2.79Å; K557-E832 PolarHBondContact NZ-OE2 2.73Å; K557-E832 PolarHBondContact O-N 3.5Å |
| 558 | Y | 94.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.1 | 173 | -78.1 | -97.3 | 0 | 0 | 0 | 109.6 | R556 S630 W632 D634 L783 F829 G830 L831 | R556-Y558 HydrophobicContact CB-CE2 4.31Å; Y558-S630 PolarHBondContact N-O 2.99Å; Y558-S630 PolarHBondContact O-N 2.91Å; Y558-S630 VanDerWaalsContact O-O 3.06Å; Y558-S630 PolarHBondContact O-OG 3.02Å; Y558-W632 HydrophobicContact CD2-CB 3.94Å; Y558-W632 HydrophobicContact CD2-CG 4.42Å; Y558-W632 HydrophobicContact CE2-CB 4.03Å; Y558-D634 PolarHBondContact OH-OD1 2.97Å; Y558-L783 HydrophobicContact CE1-CD1 4.26Å; Y558-F829 AromaticContact CD1-CE1 3.95Å; Y558-F829 HydrophobicContact CD1-CE1 3.95Å; Y558-F829 AromaticContact CD1-CE2 3.95Å; Y558-F829 HydrophobicContact CD1-CE2 3.95Å; 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 4.29Å; Y558-F829 HydrophobicContact CG-CE2 4.1Å; Y558-F829 AromaticContact CG-CZ 3.88Å; Y558-F829 HydrophobicContact CG-CZ 3.88Å; Y558-G830 CarbonylContact C-O 3.57Å; Y558-G830 VanDerWaalsContact CA-O 3.26Å; Y558-G830 WeakPolarHBondContact CA-O 3.47Å; Y558-G830 VanDerWaalsContact CD1-C 3.49Å; Y558-G830 WeakPolarHBondContact CD1-O 3.39Å; Y558-L831 HydrophobicContact CD1-CD2 4.2Å; Y558-L831 HydrophobicContact CD1-CG 4.5Å; Y558-L831 HydrophobicContact CD2-CD2 4.02Å; Y558-L831 HydrophobicContact CE1-CD2 3.74Å; Y558-L831 HydrophobicContact CE1-CG 3.98Å; Y558-L831 HydrophobicContact CE2-CD2 3.56Å; Y558-L831 HydrophobicContact CG-CD2 4.31Å |
| 559 | Q | 93.6 | Very high | 91.6 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.8 | 171.3 | -63.2 | -165.2 | -47.2 | 0 | 0 | 109.7 | Y561 D629 W828 G830 E832 | Q559-Y561 HydrophobicContact CB-CD2 4.31Å; Q559-Y561 HydrophobicContact CB-CE2 3.77Å; Q559-Y561 PolarHBondContact OE1-OH 2.88Å; Q559-Y561 VanDerWaalsContact OE1-OH 3.1Å; Q559-D629 PolarHBondContact NE2-OD1 2.87Å; Q559-W828 HydrophobicContact CB-CZ3 4.29Å; Q559-W828 WeakPolarHBondContact O-CZ3 3.49Å; Q559-G830 PolarHBondContact N-O 3.11Å; Q559-G830 PolarHBondContact O-N 3.28Å; Q559-G830 VanDerWaalsContact O-N 3.08Å; Q559-E832 HydrophobicContact CG-CB 4.29Å; Q559-E832 HydrophobicContact CG-CG 4.38Å |
| 560 | L | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.8 | 172.1 | 170.7 | 63 | 0 | 0 | 0 | 108.5 | V562 I582 I584 M627 V628 I761 V827 W828 F829 | L560-V562 HydrophobicContact CD1-CG2 4.03Å; L560-V562 HydrophobicContact CG-CG2 4.19Å; L560-I582 HydrophobicContact CD2-CG2 3.44Å; L560-I582 VanDerWaalsContact CD2-CG2 3.44Å; L560-I582 HydrophobicContact CG-CG2 4.18Å; L560-I584 HydrophobicContact CD2-CB 4.37Å; L560-I584 HydrophobicContact CD2-CG2 4.25Å; L560-M627 WeakPolarHBondContact O-CA 3.47Å; L560-V628 HydrophobicContact CB-CB 4.22Å; L560-V628 HydrophobicContact CD2-CB 4.46Å; L560-V628 PolarHBondContact N-O 2.93Å; L560-V628 PolarHBondContact O-N 2.73Å; L560-I761 HydrophobicContact CD1-CD1 3.7Å; L560-I761 HydrophobicContact CD1-CG1 4.24Å; L560-I761 HydrophobicContact CD1-CG2 4.5Å; L560-I761 HydrophobicContact CD2-CB 4.49Å; L560-I761 HydrophobicContact CD2-CD1 4.33Å; L560-I761 HydrophobicContact CD2-CG1 3.93Å; L560-I761 HydrophobicContact CD2-CG2 3.81Å; L560-V827 HydrophobicContact CD1-CG1 3.93Å; L560-W828 CarbonylContact C-O 3.5Å; L560-W828 WeakPolarHBondContact CA-O 3.44Å; L560-F829 HydrophobicContact CB-CD2 4.01Å; L560-F829 HydrophobicContact CD1-CB 4.12Å; L560-F829 HydrophobicContact CD1-CD2 4.42Å |
| 561 | Y | 94.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 34.5 Ų | 34.5 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.7 | 170.9 | -70 | -90.4 | 0 | 0 | 0 | 109.7 | Q559 T626 M627 W828 W838 L847 | Q559-Y561 HydrophobicContact CB-CD2 4.31Å; Q559-Y561 HydrophobicContact CB-CE2 3.77Å; Q559-Y561 PolarHBondContact OE1-OH 2.88Å; Q559-Y561 VanDerWaalsContact OE1-OH 3.1Å; Y561-T626 WeakPolarHBondContact CA-O 3.44Å; Y561-M627 HydrophobicContact CD1-CB 4.2Å; Y561-M627 HydrophobicContact CD1-CG 4.17Å; Y561-M627 HydrophobicContact CE1-CB 3.99Å; Y561-M627 HydrophobicContact CE1-CG 3.63Å; Y561-M627 HydrophobicContact CE1-SD 4.22Å; Y561-M627 HydrophobicContact CE2-CG 4.46Å; Y561-W828 AromaticContact CD2-CE3 3.77Å; Y561-W828 HydrophobicContact CD2-CE3 3.77Å; Y561-W828 HydrophobicContact CD2-CZ3 4.08Å; Y561-W828 HydrophobicContact CE2-CE3 4.47Å; Y561-W828 HydrophobicContact CE2-CZ3 4.35Å; Y561-W828 PolarHBondContact N-O 3.07Å; Y561-W828 PolarHBondContact O-N 3.33Å; Y561-W838 AromaticContact CD1-CD1 3.78Å; Y561-W838 AromaticContact CD1-CE2 3.96Å; Y561-W838 HydrophobicContact CD1-CG 4.42Å; Y561-W838 AromaticContact CD1-NE1 3.47Å; Y561-W838 HydrophobicContact CD2-CB 4.44Å; Y561-W838 AromaticContact CD2-CD1 4Å; Y561-W838 HydrophobicContact CD2-CD2 4.39Å; Y561-W838 HydrophobicContact CD2-CG 4.01Å; Y561-W838 AromaticContact CG-CD1 3.76Å; Y561-W838 AromaticContact CG-CD2 3.96Å; Y561-W838 HydrophobicContact CG-CD2 3.96Å; Y561-W838 AromaticContact CG-CE2 3.82Å; Y561-W838 AromaticContact CG-CG 3.96Å; Y561-W838 HydrophobicContact CG-CG 3.96Å; Y561-W838 HydrophobicContact CG-CZ2 4.45Å; Y561-W838 AromaticContact CG-NE1 3.68Å; Y561-L847 HydrophobicContact CE1-CD1 4.44Å |
| 562 | V | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 116.8 | 171 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | L560 F564 I582 C625 T626 V825 V826 V827 | L560-V562 HydrophobicContact CD1-CG2 4.03Å; L560-V562 HydrophobicContact CG-CG2 4.19Å; V562-F564 HydrophobicContact CB-CE2 4.17Å; V562-F564 HydrophobicContact CG1-CD2 4.08Å; V562-F564 HydrophobicContact CG1-CE2 3.71Å; V562-F564 HydrophobicContact CG1-CZ 4.06Å; V562-I582 HydrophobicContact CB-CD1 4.31Å; V562-I582 HydrophobicContact CB-CG1 4.08Å; V562-I582 HydrophobicContact CG1-CD1 4.13Å; V562-I582 HydrophobicContact CG1-CG1 4.35Å; V562-I582 HydrophobicContact CG2-CD1 4.08Å; V562-I582 HydrophobicContact CG2-CG1 3.99Å; V562-I582 HydrophobicContact CG2-CG2 3.86Å; V562-C625 CarbonylContact O-C 3.52Å; V562-C625 VanDerWaalsContact O-CA 3.26Å; V562-C625 WeakPolarHBondContact O-CA 3.48Å; V562-C625 PolarHBondContact O-SG 2.99Å; V562-T626 WeakPolarHBondContact CB-OG1 3.28Å; V562-T626 PolarHBondContact N-O 2.73Å; V562-T626 PolarHBondContact O-N 2.82Å; V562-V825 HydrophobicContact CG1-CB 4.15Å; V562-V825 HydrophobicContact CG1-CG1 4.28Å; V562-V826 CarbonylContact C-O 3.54Å; V562-V826 VanDerWaalsContact CA-O 3.31Å; V562-V826 WeakPolarHBondContact CA-O 3.45Å; V562-V827 HydrophobicContact CG1-CG2 4.1Å; V562-V827 HydrophobicContact CG2-CG1 4.16Å; V562-V827 HydrophobicContact CG2-CG2 4.28Å |
| 563 | A | 94.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V825 V826 W838 M1133 | A563-V825 CarbonylContact O-C 3.56Å; A563-V825 VanDerWaalsContact O-CA 3.23Å; A563-V825 WeakPolarHBondContact O-CA 3.42Å; A563-V826 HydrophobicContact CB-CB 4.33Å; A563-V826 PolarHBondContact N-O 3.33Å; A563-V826 PolarHBondContact O-N 2.87Å; A563-W838 HydrophobicContact CB-CH2 3.9Å; A563-W838 HydrophobicContact CB-CZ2 4.2Å; A563-M1133 HydrophobicContact CB-CG 4.26Å |
| 564 | F | 95.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 101.7 | 179.5 | -68.8 | -101.6 | 0 | 0 | 0 | 110 | V562 F580 I582 T602 W619 K623 P624 T626 I763 L823 V825 | V562-F564 HydrophobicContact CB-CE2 4.17Å; V562-F564 HydrophobicContact CG1-CD2 4.08Å; V562-F564 HydrophobicContact CG1-CE2 3.71Å; V562-F564 HydrophobicContact CG1-CZ 4.06Å; F564-F580 HydrophobicContact CD1-CB 4.46Å; F564-F580 HydrophobicContact CD1-CD2 4.29Å; F564-F580 HydrophobicContact CE1-CB 3.59Å; F564-F580 HydrophobicContact CE1-CD2 4.15Å; F564-F580 AromaticContact CE1-CG 3.97Å; F564-F580 HydrophobicContact CE1-CG 3.97Å; F564-F580 HydrophobicContact CZ-CB 3.79Å; F564-I582 HydrophobicContact CE2-CD1 4.24Å; F564-I582 HydrophobicContact CE2-CG1 3.92Å; F564-I582 HydrophobicContact CZ-CD1 3.62Å; F564-I582 HydrophobicContact CZ-CG1 3.72Å; F564-T602 HydrophobicContact CD1-CG2 4.22Å; F564-T602 HydrophobicContact CD2-CG2 3.63Å; F564-T602 HydrophobicContact CE1-CG2 4.24Å; F564-T602 HydrophobicContact CE2-CG2 3.67Å; F564-T602 HydrophobicContact CG-CG2 3.91Å; F564-T602 HydrophobicContact CZ-CG2 3.96Å; F564-W619 HydrophobicContact CB-CE3 4.27Å; F564-W619 HydrophobicContact CB-CH2 3.72Å; F564-W619 HydrophobicContact CB-CZ3 3.47Å; F564-W619 VanDerWaalsContact CB-CZ3 3.47Å; F564-W619 HydrophobicContact CD1-CH2 4.12Å; F564-W619 HydrophobicContact CG-CH2 4.21Å; F564-W619 HydrophobicContact CG-CZ3 4.41Å; F564-K623 WeakPolarHBondContact O-CB 3.35Å; F564-P624 HydrophobicContact CB-CB 4.46Å; F564-P624 PolarHBondContact N-O 2.82Å; F564-T626 HydrophobicContact CE2-CG2 3.89Å; F564-I763 HydrophobicContact CE1-CG2 4.48Å; F564-L823 HydrophobicContact CE1-CD1 4.23Å; F564-V825 HydrophobicContact CD1-CG1 3.7Å; F564-V825 HydrophobicContact CE1-CG1 4.06Å; F564-V825 HydrophobicContact CG-CG1 4.22Å |
| 565 | L | 92.3 | Very high | 86.8 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -42.1 | -176.6 | -54.9 | -176.8 | 0 | 0 | 0 | 111.6 | K623 A798 R824 V826 F1135 | L565-K623 WeakPolarHBondContact O-CD 3.28Å; L565-K623 VanDerWaalsContact O-CE 3.23Å; L565-K623 WeakPolarHBondContact O-CE 3.39Å; L565-K623 PolarHBondContact O-NZ 2.91Å; L565-A798 HydrophobicContact CD1-CB 4.07Å; L565-R824 HydrophobicContact CB-CB 4.39Å; L565-R824 HydrophobicContact CB-CG 4.46Å; L565-R824 WeakPolarHBondContact CB-O 3.24Å; L565-R824 HydrophobicContact CD1-CG 4.36Å; L565-R824 PolarHBondContact N-O 3.29Å; L565-V826 HydrophobicContact CD1-CG2 3.83Å; L565-V826 HydrophobicContact CD2-CG2 4.32Å; L565-V826 HydrophobicContact CG-CG2 4.16Å; L565-F1135 HydrophobicContact CD2-CE2 4.46Å; L565-F1135 HydrophobicContact CD2-CZ 4.09Å |
| 566 | S | 92.3 | Very high | 85.8 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 155.6 | 173.7 | 63.1 | 0 | 0 | 0 | 0 | 113 | R824 Q1171 | S566-R824 PolarHBondContact N-O 3.43Å; S566-R824 PolarHBondContact O-N 3.04Å; S566-R824 WeakPolarHBondContact OG-CB 3.38Å; S566-Q1171 PolarHBondContact OG-OE1 2.98Å |
| 567 | A | 94.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 115 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | F580 Y616 L617 W619 Q822 L823 | A567-F580 HydrophobicContact CB-CE2 3.59Å; A567-F580 HydrophobicContact CB-CZ 3.97Å; A567-Y616 CarbonylContact O-C 3.54Å; A567-Y616 VanDerWaalsContact O-CA 3.23Å; A567-Y616 WeakPolarHBondContact O-CA 3.41Å; A567-Y616 WeakPolarHBondContact O-CB 3.5Å; A567-L617 HydrophobicContact CB-CB 4.22Å; A567-L617 HydrophobicContact CB-CD1 4.05Å; A567-L617 HydrophobicContact CB-CG 4.03Å; A567-L617 PolarHBondContact O-N 2.85Å; A567-W619 HydrophobicContact CB-CH2 3.68Å; A567-W619 HydrophobicContact CB-CZ2 4.39Å; A567-W619 HydrophobicContact CB-CZ3 3.88Å; A567-Q822 WeakPolarHBondContact CA-O 3.31Å; A567-L823 HydrophobicContact CB-CD2 3.61Å |
| 568 | T | 92.4 | Very high | 85.3 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -179.3 | -166.2 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | I570 Y615 Q822 Q1171 | T568-I570 PolarHBondContact O-N 2.72Å; T568-I570 VanDerWaalsContact O-N 3.09Å; T568-Y615 CarbonylContact C-O 3.27Å; T568-Q822 PolarHBondContact N-O 2.85Å; T568-Q822 PolarHBondContact O-N 2.99Å; T568-Q1171 VanDerWaalsContact CB-O 3.28Å; T568-Q1171 WeakPolarHBondContact CB-O 3.46Å; T568-Q1171 WeakPolarHBondContact CG2-O 3.35Å |
| 569 | M | 90.6 | Very high | 85.2 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.034 | 17% | 0.169 | C | C | . | . | trans | 53.6 | 32.1 | -180 | -64.1 | -73.7 | -67.4 | 0 | 0 | 113.1 | Y614 Y615 Q822 S1169 | M569-Y614 HydrophobicContact CB-CD1 4.32Å; M569-Y614 HydrophobicContact CE-CD1 4.23Å; M569-Y614 HydrophobicContact CE-CD2 3.87Å; M569-Y614 HydrophobicContact CE-CE1 3.75Å; M569-Y614 HydrophobicContact CE-CE2 3.34Å; M569-Y614 HydrophobicContact CE-CG 4.3Å; M569-Y614 HydrophobicContact SD-CD1 4.12Å; M569-Y614 HydrophobicContact SD-CD2 3.35Å; M569-Y614 WeakPolarHBondContact SD-CD2 3.29Å; M569-Y614 HydrophobicContact SD-CE1 4.24Å; M569-Y614 HydrophobicContact SD-CE2 3.5Å; M569-Y614 WeakPolarHBondContact SD-CE2 3.36Å; M569-Y614 HydrophobicContact SD-CG 3.7Å; M569-Y615 PolarHBondContact N-O 2.81Å; M569-Q822 HydrophobicContact CB-CB 3.93Å; M569-Q822 HydrophobicContact CG-CB 4.19Å; M569-S1169 WeakPolarHBondContact SD-CB 3.48Å | ||
| 570 | I | 90.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -79.7 | 129.3 | -177.3 | -59.7 | 174.6 | 0 | 0 | 0 | 109.1 | T568 I578 Y615 L617 M765 P820 A821 | T568-I570 PolarHBondContact O-N 2.72Å; T568-I570 VanDerWaalsContact O-N 3.09Å; I570-I578 HydrophobicContact CD1-CD1 4.16Å; I570-I578 HydrophobicContact CG2-CD1 3.54Å; I570-Y615 WeakPolarHBondContact CB-O 3.18Å; I570-Y615 PolarHBondContact N-O 3.33Å; I570-Y615 PolarHBondContact O-N 2.86Å; I570-L617 HydrophobicContact CD1-CD1 4.42Å; I570-L617 HydrophobicContact CD1-CD2 3.77Å; I570-L617 HydrophobicContact CD1-CG 3.68Å; I570-M765 HydrophobicContact CG2-CE 3.94Å; I570-P820 WeakPolarHBondContact CA-O 3.48Å; I570-A821 HydrophobicContact CG1-CB 3.91Å |
| 571 | E | 80.5 | Confident | 85.3 | Confident | 29 Ų | 29 | 31.9 Ų | 31.9 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | trans | -76.1 | 131.3 | 176.2 | -170.2 | -176.6 | -173.9 | 0 | 0 | 111.3 | K573 K818 P820 | E571-K573 HydrophobicContact CG-CG 4.47Å; E571-K573 PolarHBondContact O-N 2.92Å; E571-K573 VanDerWaalsContact OE1-CE 3.3Å; E571-K573 WeakPolarHBondContact OE1-CE 3.4Å; E571-K573 IonicContact OE1-NZ 3.68Å; E571-K573 PolarHBondContact OE1-NZ 3.3Å; E571-K818 VanDerWaalsContact CD-CD 3.49Å; E571-K818 HydrophobicContact CG-CD 4.27Å; E571-K818 WeakPolarHBondContact OE1-CD 3.24Å; E571-K818 IonicContact OE1-NZ 3.94Å; E571-K818 PolarHBondContact OE1-NZ 3.33Å; E571-K818 VanDerWaalsContact OE1-NZ 3.1Å; E571-P820 PolarHBondContact N-O 2.86Å | ||
| 572 | E | 65.1 | Low | 85.3 | Confident | 126 Ų | 126 | 30.9 Ų | 30.9 | 59% | 0.589 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -70.6 | 31.8 | -174.4 | -154.2 | -171 | 166.9 | 0 | 0 | 116.3 | S574 Y615 | E572-S574 VanDerWaalsContact C-N 3.33Å; E572-Y615 HydrophobicContact CB-CD2 3.69Å; E572-Y615 HydrophobicContact CB-CE2 3.33Å; E572-Y615 VanDerWaalsContact CD-CE2 3.41Å; E572-Y615 HydrophobicContact CG-CD1 4.48Å; E572-Y615 HydrophobicContact CG-CD2 3.88Å; E572-Y615 HydrophobicContact CG-CE1 3.94Å; E572-Y615 HydrophobicContact CG-CE2 3.28Å; E572-Y615 HydrophobicContact CG-CG 4.49Å; E572-Y615 PolarHBondContact OE1-OH 2.83Å; E572-Y615 WeakPolarHBondContact OE2-CE2 3.26Å; E572-Y615 PolarHBondContact OE2-OH 2.87Å |
| 573 | K | 60.5 | Low | 85.3 | Confident | 152 Ų | 152 | 31.1 Ų | 31.1 | 66% | 0.661 | 16% | 0.164 | S | C | * | . | trans | -89.5 | 5 | 178.2 | -75.4 | 178.7 | 177.5 | 148.5 | 0 | 114.3 | E571 | E571-K573 HydrophobicContact CG-CG 4.47Å; E571-K573 PolarHBondContact O-N 2.92Å; E571-K573 VanDerWaalsContact OE1-CE 3.3Å; E571-K573 WeakPolarHBondContact OE1-CE 3.4Å; E571-K573 IonicContact OE1-NZ 3.68Å; E571-K573 PolarHBondContact OE1-NZ 3.3Å | ||
| 574 | S | 58.2 | Low | 85.3 | Confident | 25 Ų | 25 | 31 Ų | 31 | 18% | 0.175 | 16% | 0.163 | C | C | . | . | trans | -98.3 | 106.3 | -174.6 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | E572 G576 | E572-S574 VanDerWaalsContact C-N 3.33Å; S574-G576 PolarHBondContact O-N 2.79Å | ||
| 575 | D | 62 | Low | 85.2 | Confident | 167 Ų | 167 | 31.2 Ų | 31.2 | 89% | 0.893 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -68.9 | -6.8 | 170.5 | -76.4 | -29.2 | 0 | 0 | 0 | 113.5 | ||
| 576 | G | 72.8 | Confident | 85.1 | Confident | 17 Ų | 17 | 29.7 Ų | 29.7 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -127.7 | 168.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | S574 | S574-G576 PolarHBondContact O-N 2.79Š|
| 577 | P | 85.2 | Confident | 85.1 | Confident | 45 Ų | 45 | 30.2 Ų | 30.2 | 29% | 0.292 | 16% | 0.158 | S | C | . | . | trans | -64.2 | 151.5 | 175 | 28.7 | -35.2 | 0 | 0 | 0 | 111.4 | P604 G768 | P577-P604 HydrophobicContact CB-CB 4Å; P577-P604 HydrophobicContact CG-CB 4.22Å; P577-G768 PolarHBondContact O-N 2.77Å; P577-G768 VanDerWaalsContact O-N 3.09Å | ||
| 578 | I | 91 | Very high | 84.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.9 | -179.2 | -62.9 | 166.1 | 0 | 0 | 0 | 109.2 | I570 F580 P604 T605 P607 L617 M765 L766 | I570-I578 HydrophobicContact CD1-CD1 4.16Å; I570-I578 HydrophobicContact CG2-CD1 3.54Å; I578-F580 HydrophobicContact CG2-CE1 4.28Å; I578-F580 HydrophobicContact CG2-CE2 4.31Å; I578-F580 HydrophobicContact CG2-CZ 3.94Å; I578-P604 WeakPolarHBondContact O-CA 3.44Å; I578-T605 PolarHBondContact N-O 3.17Å; I578-T605 PolarHBondContact O-N 3.04Å; I578-P607 HydrophobicContact CD1-CB 4.05Å; I578-P607 HydrophobicContact CD1-CG 3.92Å; I578-L617 HydrophobicContact CB-CD1 4.4Å; I578-L617 HydrophobicContact CB-CD2 4.36Å; I578-L617 HydrophobicContact CD1-CD2 4.4Å; I578-L617 HydrophobicContact CG2-CD1 4.22Å; I578-M765 HydrophobicContact CD1-CE 3.61Å; I578-M765 HydrophobicContact CG1-CE 4.04Å; I578-M765 HydrophobicContact CG2-CE 3.87Å; I578-M765 HydrophobicContact CG2-CG 4.01Å; I578-L766 VanDerWaalsContact CA-O 3.31Å; I578-L766 WeakPolarHBondContact CA-O 3.07Å |
| 579 | E | 91.8 | Very high | 84.7 | Confident | 16 Ų | 16 | 30.9 Ų | 30.9 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.5 | 166.2 | 66.6 | 178.3 | 172.1 | 0 | 0 | 109.8 | K590 T601 L766 | E579-K590 IonicContact OE1-NZ 3.47Å; E579-K590 PolarHBondContact OE1-NZ 3.39Å; E579-K590 IonicContact OE2-NZ 3.79Å; E579-K590 PolarHBondContact OE2-NZ 2.99Å; E579-K590 VanDerWaalsContact OE2-NZ 3.16Å; E579-T601 PolarHBondContact OE2-OG1 3.5Å; E579-L766 HydrophobicContact CG-CB 3.65Å; E579-L766 HydrophobicContact CG-CD1 4.35Å; E579-L766 HydrophobicContact CG-CD2 4.31Å; E579-L766 HydrophobicContact CG-CG 4.32Å; E579-L766 PolarHBondContact N-O 3Å; E579-L766 PolarHBondContact O-N 3.08Å |
| 580 | F | 95.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.3 | 169.7 | -58.8 | -72.7 | 0 | 0 | 0 | 109.6 | F564 A567 I578 T601 T602 L617 W619 W764 M765 L803 L823 | F564-F580 HydrophobicContact CD1-CB 4.46Å; F564-F580 HydrophobicContact CD1-CD2 4.29Å; F564-F580 HydrophobicContact CE1-CB 3.59Å; F564-F580 HydrophobicContact CE1-CD2 4.15Å; F564-F580 AromaticContact CE1-CG 3.97Å; F564-F580 HydrophobicContact CE1-CG 3.97Å; F564-F580 HydrophobicContact CZ-CB 3.79Å; A567-F580 HydrophobicContact CB-CE2 3.59Å; A567-F580 HydrophobicContact CB-CZ 3.97Å; I578-F580 HydrophobicContact CG2-CE1 4.28Å; I578-F580 HydrophobicContact CG2-CE2 4.31Å; I578-F580 HydrophobicContact CG2-CZ 3.94Å; F580-T601 CarbonylContact O-C 3.48Å; F580-T601 WeakPolarHBondContact O-CA 3.41Å; F580-T601 WeakPolarHBondContact O-CB 3.3Å; F580-T602 HydrophobicContact CB-CG2 4.04Å; F580-T602 HydrophobicContact CD2-CG2 4.36Å; F580-T602 PolarHBondContact N-OG1 3.37Å; F580-T602 PolarHBondContact O-N 2.99Å; F580-L617 HydrophobicContact CD2-CD1 4.38Å; F580-L617 HydrophobicContact CE2-CD1 3.55Å; F580-L617 HydrophobicContact CZ-CD1 4.24Å; F580-W619 AromaticContact CD2-CH2 3.85Å; F580-W619 HydrophobicContact CD2-CH2 3.85Å; F580-W619 HydrophobicContact CD2-CZ2 4Å; F580-W619 AromaticContact CE2-CH2 3.85Å; F580-W619 HydrophobicContact CE2-CH2 3.85Å; F580-W619 HydrophobicContact CE2-CZ2 4.05Å; F580-W764 CarbonylContact C-O 3.46Å; F580-W764 WeakPolarHBondContact CA-O 3.49Å; F580-M765 HydrophobicContact CD1-CB 4.02Å; F580-M765 HydrophobicContact CD1-CG 4.28Å; F580-M765 HydrophobicContact CE1-CB 3.83Å; F580-M765 HydrophobicContact CE1-CG 3.73Å; F580-M765 HydrophobicContact CE1-SD 4.48Å; F580-L803 HydrophobicContact CD1-CD1 4.4Å; F580-L803 HydrophobicContact CE1-CD1 3.94Å; F580-L823 HydrophobicContact CD1-CD1 3.96Å; F580-L823 HydrophobicContact CD1-CD2 4.22Å; F580-L823 HydrophobicContact CD2-CD2 4.28Å; F580-L823 HydrophobicContact CE1-CD1 4.05Å; F580-L823 HydrophobicContact CE1-CD2 3.62Å; F580-L823 HydrophobicContact CE1-CG 4.38Å; F580-L823 HydrophobicContact CE2-CD2 3.67Å; F580-L823 HydrophobicContact CG-CD1 4.39Å; F580-L823 HydrophobicContact CZ-CD2 3.33Å |
| 581 | E | 95.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.3 | 176.4 | 175.6 | -173.8 | 81.8 | 0 | 0 | 109.9 | K590 S600 T601 I763 W764 L766 R771 | E581-K590 VanDerWaalsContact OE2-CB 3.32Å; E581-K590 WeakPolarHBondContact OE2-CB 3.23Å; E581-K590 WeakPolarHBondContact OE2-CG 3.15Å; E581-K590 PolarHBondContact OE2-N 3.39Å; E581-S600 WeakPolarHBondContact CA-O 3.42Å; E581-T601 HydrophobicContact CB-CG2 3.75Å; E581-T601 HydrophobicContact CG-CG2 3.92Å; E581-I763 CarbonylContact O-C 3.58Å; E581-I763 WeakPolarHBondContact O-CA 3.39Å; E581-W764 HydrophobicContact CB-CB 4.21Å; E581-W764 PolarHBondContact N-O 3.1Å; E581-W764 PolarHBondContact O-N 3.38Å; E581-L766 HydrophobicContact CB-CD1 3.48Å; E581-L766 VanDerWaalsContact CB-CD1 3.48Å; E581-R771 IonicContact OE1-CZ 3.72Å; E581-R771 IonicContact OE1-NE 3.62Å; E581-R771 PolarHBondContact OE1-NE 3.21Å; E581-R771 IonicContact OE1-NH2 3.85Å; E581-R771 PolarHBondContact OE1-NH2 2.63Å; E581-R771 IonicContact OE2-NH2 3.85Å |
| 582 | I | 96 | Very high | 83.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.9 | 174.3 | -61.6 | -60 | 0 | 0 | 0 | 108.7 | L560 V562 F564 S600 T626 V628 I761 I762 I763 | L560-I582 HydrophobicContact CD2-CG2 3.44Å; L560-I582 VanDerWaalsContact CD2-CG2 3.44Å; L560-I582 HydrophobicContact CG-CG2 4.18Å; V562-I582 HydrophobicContact CB-CD1 4.31Å; V562-I582 HydrophobicContact CB-CG1 4.08Å; V562-I582 HydrophobicContact CG1-CD1 4.13Å; V562-I582 HydrophobicContact CG1-CG1 4.35Å; V562-I582 HydrophobicContact CG2-CD1 4.08Å; V562-I582 HydrophobicContact CG2-CG1 3.99Å; V562-I582 HydrophobicContact CG2-CG2 3.86Å; F564-I582 HydrophobicContact CE2-CD1 4.24Å; F564-I582 HydrophobicContact CE2-CG1 3.92Å; F564-I582 HydrophobicContact CZ-CD1 3.62Å; F564-I582 HydrophobicContact CZ-CG1 3.72Å; I582-S600 PolarHBondContact N-O 2.9Å; I582-S600 VanDerWaalsContact O-CB 3.26Å; I582-S600 WeakPolarHBondContact O-CB 3.27Å; I582-T626 HydrophobicContact CG1-CG2 4.27Å; I582-T626 WeakPolarHBondContact CG1-OG1 3.2Å; I582-V628 HydrophobicContact CG2-CG2 4.32Å; I582-I761 HydrophobicContact CG2-CG2 4.2Å; I582-I762 WeakPolarHBondContact CA-O 3.41Å; I582-I763 HydrophobicContact CD1-CB 4.03Å; I582-I763 HydrophobicContact CD1-CD1 3.9Å; I582-I763 HydrophobicContact CD1-CG1 3.52Å; I582-I763 HydrophobicContact CD1-CG2 3.9Å |
| 583 | S | 95 | Very high | 83.6 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.7 | 175.6 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | H587 I761 I762 | S583-H587 CarbonylContact C-O 3.46Å; S583-H587 WeakPolarHBondContact CA-O 3.27Å; S583-H587 WeakPolarHBondContact CB-O 3.49Å; S583-I761 CarbonylContact O-C 3.48Å; S583-I761 WeakPolarHBondContact O-CA 3.43Å; S583-I762 PolarHBondContact N-O 3.41Å; S583-I762 PolarHBondContact O-N 2.86Å |
| 584 | I | 94.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 116.1 | 167.4 | -173.6 | 172.9 | 0 | 0 | 0 | 107.7 | L560 N586 H587 V628 W632 I758 P759 I761 F829 | L560-I584 HydrophobicContact CD2-CB 4.37Å; L560-I584 HydrophobicContact CD2-CG2 4.25Å; I584-N586 PolarHBondContact O-N 3.36Å; I584-H587 HydrophobicContact CG2-CB 4.29Å; I584-H587 PolarHBondContact N-O 3.48Å; I584-H587 WeakPolarHBondContact O-CB 3.34Å; I584-H587 PolarHBondContact O-N 2.98Å; I584-H587 VanDerWaalsContact O-N 3.08Å; I584-V628 HydrophobicContact CG2-CG1 4.2Å; I584-W632 HydrophobicContact CG1-CZ2 4.07Å; I584-W632 HydrophobicContact CG2-CZ2 4.39Å; I584-I758 HydrophobicContact CD1-CG2 3.9Å; I584-P759 HydrophobicContact CG1-CB 4.3Å; I584-I761 HydrophobicContact CB-CG1 4.33Å; I584-I761 HydrophobicContact CD1-CG1 4.01Å; I584-I761 HydrophobicContact CG1-CG1 4.34Å; I584-F829 HydrophobicContact CD1-CD2 4.32Å; I584-F829 HydrophobicContact CD1-CE1 4.34Å; I584-F829 HydrophobicContact CD1-CE2 3.68Å; I584-F829 HydrophobicContact CD1-CZ 3.69Å |
| 585 | G | 92.7 | Very high | 85.1 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -134 | -164.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y517 | Y517-G585 VanDerWaalsContact CD1-C 3.46Å; Y517-G585 VanDerWaalsContact CD1-CA 3.43Å |
| 586 | N | 90.9 | Very high | 85.7 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -15.6 | 171.9 | -76.2 | -5.9 | 0 | 0 | 0 | 113.5 | D374 R495 I584 G588 N589 D592 V595 | D374-N586 WeakPolarHBondContact CB-ND2 3.26Å; D374-N586 VanDerWaalsContact CG-ND2 3.35Å; D374-N586 PolarHBondContact OD1-ND2 3.11Å; R495-N586 PolarHBondContact NH1-OD1 3.18Å; I584-N586 PolarHBondContact O-N 3.36Å; N586-G588 PolarHBondContact O-N 2.7Å; N586-N589 WeakPolarHBondContact O-CB 3.37Å; N586-N589 PolarHBondContact O-N 2.85Å; N586-D592 HydrophobicContact CB-CB 4.4Å; N586-D592 PolarHBondContact ND2-OD2 3.03Å; N586-D592 VanDerWaalsContact ND2-OD2 3.13Å; N586-D592 PolarHBondContact OD1-OD2 2.72Å; N586-V595 HydrophobicContact CB-CG2 3.66Å |
| 587 | H | 92.3 | Very high | 86.1 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 13% | 0.13 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -69.6 | 124.9 | -178.9 | -62.3 | -95.8 | 0 | 0 | 0 | 110.4 | S583 I584 N589 V595 V628 D629 W632 | S583-H587 CarbonylContact C-O 3.46Å; S583-H587 WeakPolarHBondContact CA-O 3.27Å; S583-H587 WeakPolarHBondContact CB-O 3.49Å; I584-H587 HydrophobicContact CG2-CB 4.29Å; I584-H587 PolarHBondContact N-O 3.48Å; I584-H587 WeakPolarHBondContact O-CB 3.34Å; I584-H587 PolarHBondContact O-N 2.98Å; I584-H587 VanDerWaalsContact O-N 3.08Å; H587-N589 VanDerWaalsContact C-N 3.35Å; H587-V595 VanDerWaalsContact ND1-CG1 3.28Å; H587-V595 WeakPolarHBondContact ND1-CG1 3.33Å; H587-V628 HydrophobicContact CB-CG1 3.58Å; H587-D629 PolarHBondContact ND1-O 3.08Å; H587-W632 AromaticContact CD2-CZ2 3.82Å |
| 588 | G | 89.7 | Confident | 86.1 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -8.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N586 K590 S600 | N586-G588 PolarHBondContact O-N 2.7Å; G588-K590 PolarHBondContact O-N 2.84Å; G588-S600 VanDerWaalsContact CA-CB 3.42Å; G588-S600 VanDerWaalsContact O-CB 3.23Å; G588-S600 WeakPolarHBondContact O-CB 2.98Å; G588-S600 PolarHBondContact O-OG 3.16Å |
| 589 | N | 88.5 | Confident | 86 | Confident | 15 Ų | 15 | 32.7 Ų | 32.7 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | trans | -74.9 | 113.6 | 175.1 | 176.7 | -0.2 | 0 | 0 | 0 | 110.8 | N586 H587 L591 D592 R771 | N586-N589 WeakPolarHBondContact O-CB 3.37Å; N586-N589 PolarHBondContact O-N 2.85Å; H587-N589 VanDerWaalsContact C-N 3.35Å; N589-L591 PolarHBondContact O-N 3.32Å; N589-L591 PolarHBondContact OD1-N 2.95Å; N589-D592 HydrophobicContact CB-CB 4.1Å; N589-D592 PolarHBondContact O-N 3.25Å; N589-D592 VanDerWaalsContact O-N 3.1Å; N589-R771 PolarHBondContact OD1-NH2 2.97Å | ||
| 590 | K | 79.1 | Confident | 86 | Confident | 95 Ų | 95 | 32.2 Ų | 32.2 | 41% | 0.413 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.7 | -177.8 | -76.4 | 173.4 | 62.8 | -178.8 | 0 | 115.2 | E579 E581 G588 T601 | E579-K590 IonicContact OE1-NZ 3.47Å; E579-K590 PolarHBondContact OE1-NZ 3.39Å; E579-K590 IonicContact OE2-NZ 3.79Å; E579-K590 PolarHBondContact OE2-NZ 2.99Å; E579-K590 VanDerWaalsContact OE2-NZ 3.16Å; E581-K590 VanDerWaalsContact OE2-CB 3.32Å; E581-K590 WeakPolarHBondContact OE2-CB 3.23Å; E581-K590 WeakPolarHBondContact OE2-CG 3.15Å; E581-K590 PolarHBondContact OE2-N 3.39Å; G588-K590 PolarHBondContact O-N 2.84Å; K590-T601 HydrophobicContact CD-CG2 3.36Å; K590-T601 HydrophobicContact CG-CG2 4.16Å |
| 591 | L | 75.7 | Confident | 85.9 | Confident | 80 Ų | 80 | 33 Ų | 33 | 42% | 0.419 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -12.5 | 176.9 | -61.3 | 179.6 | 0 | 0 | 0 | 112.3 | R495 N589 | R495-L591 WeakPolarHBondContact O-CD1 3.28Å; N589-L591 PolarHBondContact O-N 3.32Å; N589-L591 PolarHBondContact OD1-N 2.95Å |
| 592 | D | 76.7 | Confident | 85.8 | Confident | 35 Ų | 35 | 33 Ų | 33 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | trans | -91.4 | 127.5 | 178.5 | -151.3 | -64.8 | 0 | 0 | 0 | 110.7 | R495 N586 N589 S594 | R495-D592 IonicContact CZ-OD2 2.59Å; R495-D592 IonicContact NH1-OD2 3.67Å; R495-D592 PolarHBondContact NH1-OD2 3.13Å; N586-D592 HydrophobicContact CB-CB 4.4Å; N586-D592 PolarHBondContact ND2-OD2 3.03Å; N586-D592 VanDerWaalsContact ND2-OD2 3.13Å; N586-D592 PolarHBondContact OD1-OD2 2.72Å; N589-D592 HydrophobicContact CB-CB 4.1Å; N589-D592 PolarHBondContact O-N 3.25Å; N589-D592 VanDerWaalsContact O-N 3.1Å; D592-S594 WeakPolarHBondContact OD1-CB 3.24Å; D592-S594 PolarHBondContact OD1-N 3.09Å; D592-S594 PolarHBondContact OD1-OG 3.3Å | ||
| 593 | E | 71.1 | Confident | 85.5 | Confident | 128 Ų | 128 | 33.4 Ų | 33.4 | 60% | 0.598 | 19% | 0.188 | S | C | * | . | trans | -106 | -5.4 | -172.2 | -98 | -161.3 | -142.1 | 0 | 0 | 112 | K1123 | E593-K1123 VanDerWaalsContact CG-NZ 3.28Å; E593-K1123 VanDerWaalsContact O-CE 3.32Å; E593-K1123 WeakPolarHBondContact O-CE 3.46Å; E593-K1123 PolarHBondContact O-NZ 3.37Å; E593-K1123 IonicContact OE2-NZ 3.42Å; E593-K1123 PolarHBondContact OE2-NZ 3.38Å | ||
| 594 | S | 72.8 | Confident | 85.2 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 45% | 0.448 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -80.3 | -22.8 | -177.9 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | D592 | D592-S594 WeakPolarHBondContact OD1-CB 3.24Å; D592-S594 PolarHBondContact OD1-N 3.09Å; D592-S594 PolarHBondContact OD1-OG 3.3Å |
| 595 | V | 78.8 | Confident | 84.9 | Confident | 35 Ų | 35 | 34.6 Ų | 34.6 | 21% | 0.212 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -106.1 | 152.7 | -173.3 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | N586 H587 | N586-V595 HydrophobicContact CB-CG2 3.66Å; H587-V595 VanDerWaalsContact ND1-CG1 3.28Å; H587-V595 WeakPolarHBondContact ND1-CG1 3.33Å |
| 596 | T | 74.3 | Confident | 84.5 | Confident | 88 Ų | 88 | 35.2 Ų | 35.2 | 54% | 0.54 | 20% | 0.198 | S | C | . | . | trans | -61.1 | 131.8 | 172.5 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | V1095 | T596-V1095 HydrophobicContact CG2-CG2 4.34Š| ||
| 597 | P | 81 | Confident | 84.4 | Confident | 58 Ų | 58 | 35.9 Ų | 35.9 | 38% | 0.377 | 20% | 0.202 | S | C | . | . | trans | -62.2 | 140.5 | -178.8 | 20.9 | -30.1 | 0 | 0 | 0 | 111.9 | V1095 L1126 V1128 | P597-V1095 WeakPolarHBondContact O-CG2 3.37Å; P597-L1126 HydrophobicContact CG-CB 4.37Å; P597-V1128 HydrophobicContact CB-CG1 3.83Å; P597-V1128 HydrophobicContact CG-CG1 4.35Å; P597-V1128 WeakPolarHBondContact O-CG1 3.34Å | ||
| 598 | C | 85.5 | Confident | 83.7 | Confident | 14 Ų | 14 | 35 Ų | 35 | 10% | 0.095 | 20% | 0.199 | C | C | . | . | trans | -117 | 161.6 | -178.7 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | S600 V628 | C598-S600 PolarHBondContact O-N 2.85Å; C598-V628 HydrophobicContact CB-CB 4.5Å; C598-V628 HydrophobicContact CB-CG1 4.38Å; C598-V628 HydrophobicContact CB-CG2 4.33Å | ||
| 599 | A | 88.8 | Confident | 83.3 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 60.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | T626 M627 P1129 I1131 | A599-T626 CarbonylContact O-C 3.5Å; A599-T626 WeakPolarHBondContact O-CA 3.48Å; A599-T626 WeakPolarHBondContact O-CB 3.36Å; A599-M627 PolarHBondContact N-O 3.14Å; A599-M627 PolarHBondContact O-N 3.35Å; A599-P1129 WeakPolarHBondContact CB-O 3.31Å; A599-I1131 HydrophobicContact CB-CD1 3.81Å; A599-I1131 HydrophobicContact CB-CG1 4.15Å |
| 600 | S | 92.1 | Very high | 82.7 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | trans | -91.4 | -6.8 | -167.6 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | E581 I582 G588 C598 T626 | E581-S600 WeakPolarHBondContact CA-O 3.42Å; I582-S600 PolarHBondContact N-O 2.9Å; I582-S600 VanDerWaalsContact O-CB 3.26Å; I582-S600 WeakPolarHBondContact O-CB 3.27Å; G588-S600 VanDerWaalsContact CA-CB 3.42Å; G588-S600 VanDerWaalsContact O-CB 3.23Å; G588-S600 WeakPolarHBondContact O-CB 2.98Å; G588-S600 PolarHBondContact O-OG 3.16Å; C598-S600 PolarHBondContact O-N 2.85Å; S600-T626 VanDerWaalsContact C-CG2 3.5Å; S600-T626 WeakPolarHBondContact O-CG2 3.43Å | ||
| 601 | T | 92.6 | Very high | 82.1 | Confident | 16 Ų | 16 | 31.6 Ų | 31.6 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 147.3 | -178.5 | 79 | 0 | 0 | 0 | 0 | 114.7 | E579 F580 E581 K590 R1130 | E579-T601 PolarHBondContact OE2-OG1 3.5Å; F580-T601 CarbonylContact O-C 3.48Å; F580-T601 WeakPolarHBondContact O-CA 3.41Å; F580-T601 WeakPolarHBondContact O-CB 3.3Å; E581-T601 HydrophobicContact CB-CG2 3.75Å; E581-T601 HydrophobicContact CG-CG2 3.92Å; K590-T601 HydrophobicContact CD-CG2 3.36Å; K590-T601 HydrophobicContact CG-CG2 4.16Å; T601-R1130 PolarHBondContact O-NH1 3.49Å; T601-R1130 PolarHBondContact OG1-NH1 2.78Å |
| 602 | T | 93.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 157.9 | 166 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | F564 F580 W619 P624 R1130 | F564-T602 HydrophobicContact CD1-CG2 4.22Å; F564-T602 HydrophobicContact CD2-CG2 3.63Å; F564-T602 HydrophobicContact CE1-CG2 4.24Å; F564-T602 HydrophobicContact CE2-CG2 3.67Å; F564-T602 HydrophobicContact CG-CG2 3.91Å; F564-T602 HydrophobicContact CZ-CG2 3.96Å; F580-T602 HydrophobicContact CB-CG2 4.04Å; F580-T602 HydrophobicContact CD2-CG2 4.36Å; F580-T602 PolarHBondContact N-OG1 3.37Å; F580-T602 PolarHBondContact O-N 2.99Å; T602-W619 HydrophobicContact CG2-CH2 4.5Å; T602-W619 HydrophobicContact CG2-CZ2 4.29Å; T602-P624 HydrophobicContact CG2-CB 3.71Å; T602-P624 HydrophobicContact CG2-CG 4.36Å; T602-R1130 VanDerWaalsContact C-NH1 3.27Å; T602-R1130 PolarHBondContact O-NH1 2.92Å |
| 603 | P | 89.3 | Confident | 82.1 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -60 | 140.1 | 170.9 | -22 | 32.9 | 0 | 0 | 0 | 111.3 | T605 F1132 | P603-T605 PolarHBondContact O-N 3.25Å; P603-T605 VanDerWaalsContact O-N 3.15Å; P603-T605 PolarHBondContact O-OG1 2.88Å; P603-F1132 HydrophobicContact CG-CE1 3.75Å; P603-F1132 HydrophobicContact CG-CZ 3.67Å |
| 604 | P | 88.1 | Confident | 82.8 | Confident | 30 Ų | 30 | 28 Ų | 28 | 20% | 0.195 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 118 | 172.9 | 26 | -33.3 | 0 | 0 | 0 | 109.4 | P577 I578 | P577-P604 HydrophobicContact CB-CB 4Å; P577-P604 HydrophobicContact CG-CB 4.22Å; I578-P604 WeakPolarHBondContact O-CA 3.44Å |
| 605 | T | 88.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 136.5 | -171.8 | -51.5 | 0 | 0 | 0 | 0 | 109.3 | I578 P603 L617 W619 | I578-T605 PolarHBondContact N-O 3.17Å; I578-T605 PolarHBondContact O-N 3.04Å; P603-T605 PolarHBondContact O-N 3.25Å; P603-T605 VanDerWaalsContact O-N 3.15Å; P603-T605 PolarHBondContact O-OG1 2.88Å; T605-L617 HydrophobicContact CG2-CB 4.04Å; T605-L617 HydrophobicContact CG2-CD2 4.15Å; T605-L617 HydrophobicContact CG2-CG 4.49Å; T605-W619 PolarHBondContact OG1-NE1 2.92Å; T605-W619 VanDerWaalsContact OG1-NE1 3.11Å |
| 606 | N | 85.9 | Confident | 84 | Confident | 16 Ų | 16 | 26.4 Ų | 26.4 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | trans | -78 | 134.8 | 175.6 | -56.5 | -73.3 | 0 | 0 | 0 | 110.2 | S909 K1062 | N606-S909 WeakPolarHBondContact CB-OG 3.3Å; N606-S909 PolarHBondContact N-OG 3.12Å; N606-S909 PolarHBondContact ND2-OG 3.27Å; N606-S909 WeakPolarHBondContact O-CB 3.31Å; N606-K1062 VanDerWaalsContact OD1-CE 3.31Å; N606-K1062 WeakPolarHBondContact OD1-CE 3.41Å | ||
| 607 | P | 87.1 | Confident | 84.7 | Confident | 19 Ų | 19 | 22.6 Ų | 22.6 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | trans | -63.4 | 137.4 | 172.9 | 23.9 | -30.8 | 0 | 0 | 0 | 111.2 | I578 Y615 L617 | I578-P607 HydrophobicContact CD1-CB 4.05Å; I578-P607 HydrophobicContact CD1-CG 3.92Å; P607-Y615 HydrophobicContact CB-CD1 3.98Å; P607-Y615 HydrophobicContact CB-CG 4.21Å; P607-L617 HydrophobicContact CB-CD2 4.32Å | ||
| 608 | V | 78.5 | Confident | 84.9 | Confident | 10 Ų | 10 | 20.3 Ų | 20.3 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.3 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | Y615 Y616 P618 Y912 | V608-Y615 CarbonylContact O-C 3.58Å; V608-Y615 VanDerWaalsContact O-CA 3.23Å; V608-Y615 WeakPolarHBondContact O-CA 3.49Å; V608-Y616 HydrophobicContact CB-CE1 4.34Å; V608-Y616 HydrophobicContact CG1-CE1 4.18Å; V608-Y616 PolarHBondContact N-O 3.06Å; V608-Y616 VanDerWaalsContact O-CD1 3.28Å; V608-Y616 WeakPolarHBondContact O-CD1 3.44Å; V608-Y616 PolarHBondContact O-N 2.85Å; V608-P618 HydrophobicContact CG2-CG 3.78Å; V608-Y912 HydrophobicContact CB-CD1 4.43Å; V608-Y912 HydrophobicContact CG1-CD1 3.51Å; V608-Y912 HydrophobicContact CG1-CE1 4.02Å; V608-Y912 HydrophobicContact CG1-CG 4.07Å; V608-Y912 HydrophobicContact CG2-CD1 4.1Å; V608-Y912 HydrophobicContact CG2-CD2 4.2Å; V608-Y912 HydrophobicContact CG2-CG 3.83Å |
| 609 | S | 80.5 | Confident | 84.8 | Confident | 11 Ų | 11 | 20.3 Ų | 20.3 | 8% | 0.077 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.3 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | G611 Y615 G917 | S609-G611 VanDerWaalsContact C-N 3.25Å; S609-G611 PolarHBondContact OG-N 2.98Å; S609-Y615 VanDerWaalsContact N-CD1 3.33Å; S609-G917 WeakPolarHBondContact O-CA 3.41Å |
| 610 | D | 76.6 | Confident | 84.3 | Confident | 14 Ų | 14 | 20.9 Ų | 20.9 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | trans | -72.3 | -20.5 | 170.9 | 66.2 | 0 | 0 | 0 | 0 | 113 | L612 H613 Y614 Y616 G1172 S1174 | D610-L612 PolarHBondContact OD1-N 3.11Å; D610-H613 PolarHBondContact OD1-N 2.93Å; D610-Y614 PolarHBondContact N-O 2.89Å; D610-Y614 PolarHBondContact OD1-N 2.85Å; D610-Y614 WeakPolarHBondContact OD2-CB 3.35Å; D610-Y614 PolarHBondContact OD2-N 3.08Å; D610-Y616 HydrophobicContact CB-CD1 4.34Å; D610-G1172 VanDerWaalsContact CB-O 3.29Å; D610-G1172 WeakPolarHBondContact CB-O 3.42Å; D610-S1174 VanDerWaalsContact CG-OG 3.26Å; D610-S1174 WeakPolarHBondContact OD2-CB 3.47Å; D610-S1174 PolarHBondContact OD2-OG 2.72Å | ||
| 611 | G | 66.8 | Low | 83.5 | Confident | 20 Ų | 20 | 22.2 Ų | 22.2 | 21% | 0.206 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 114.3 | -5.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S609 G917 | S609-G611 VanDerWaalsContact C-N 3.25Å; S609-G611 PolarHBondContact OG-N 2.98Å; G611-G917 VanDerWaalsContact CA-C 3.49Å; G611-G917 WeakPolarHBondContact CA-O 3.29Å |
| 612 | L | 74.8 | Confident | 83.1 | Confident | 79 Ų | 79 | 22.9 Ų | 22.9 | 41% | 0.414 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -130.9 | -70.8 | -175.8 | -168.4 | 76.9 | 0 | 0 | 0 | 112.3 | D610 S1174 E1176 | D610-L612 PolarHBondContact OD1-N 3.11Å; L612-S1174 WeakPolarHBondContact CB-OG 3.42Å; L612-S1174 WeakPolarHBondContact CD2-OG 2.81Å; L612-E1176 HydrophobicContact CD2-CG 3.84Å |
| 613 | H | 77 | Confident | 83 | Confident | 77 Ų | 77 | 24.2 Ų | 24.2 | 36% | 0.356 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -137.3 | -28.5 | -173.3 | -157.1 | 83.9 | 0 | 0 | 0 | 114.6 | D610 R1167 | D610-H613 PolarHBondContact OD1-N 2.93Å; H613-R1167 PolarHBondContact CD2-NH1 2.83Å; H613-R1167 VanDerWaalsContact CG-NH1 3.28Å; H613-R1167 PolarHBondContact NE2-NH1 2.92Å |
| 614 | Y | 87.2 | Confident | 83.2 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | trans | -111.5 | 167.1 | -172 | -68.4 | -69.7 | 0 | 0 | 0 | 112.9 | M569 D610 E1216 | M569-Y614 HydrophobicContact CB-CD1 4.32Å; M569-Y614 HydrophobicContact CE-CD1 4.23Å; M569-Y614 HydrophobicContact CE-CD2 3.87Å; M569-Y614 HydrophobicContact CE-CE1 3.75Å; M569-Y614 HydrophobicContact CE-CE2 3.34Å; M569-Y614 HydrophobicContact CE-CG 4.3Å; M569-Y614 HydrophobicContact SD-CD1 4.12Å; M569-Y614 HydrophobicContact SD-CD2 3.35Å; M569-Y614 WeakPolarHBondContact SD-CD2 3.29Å; M569-Y614 HydrophobicContact SD-CE1 4.24Å; M569-Y614 HydrophobicContact SD-CE2 3.5Å; M569-Y614 WeakPolarHBondContact SD-CE2 3.36Å; M569-Y614 HydrophobicContact SD-CG 3.7Å; D610-Y614 PolarHBondContact N-O 2.89Å; D610-Y614 PolarHBondContact OD1-N 2.85Å; D610-Y614 WeakPolarHBondContact OD2-CB 3.35Å; D610-Y614 PolarHBondContact OD2-N 3.08Å; Y614-E1216 VanDerWaalsContact OH-CD 3.26Å; Y614-E1216 PolarHBondContact OH-OE1 3.29Å; Y614-E1216 PolarHBondContact OH-OE2 2.98Å | ||
| 615 | Y | 87.3 | Confident | 83.5 | Confident | 19 Ų | 19 | 22.6 Ų | 22.6 | 8% | 0.075 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 156.7 | 175.3 | -69.1 | -104.1 | 0 | 0 | 0 | 110.7 | T568 M569 I570 E572 P607 V608 S609 | T568-Y615 CarbonylContact C-O 3.27Å; M569-Y615 PolarHBondContact N-O 2.81Å; I570-Y615 WeakPolarHBondContact CB-O 3.18Å; I570-Y615 PolarHBondContact N-O 3.33Å; I570-Y615 PolarHBondContact O-N 2.86Å; E572-Y615 HydrophobicContact CB-CD2 3.69Å; E572-Y615 HydrophobicContact CB-CE2 3.33Å; E572-Y615 VanDerWaalsContact CD-CE2 3.41Å; E572-Y615 HydrophobicContact CG-CD1 4.48Å; E572-Y615 HydrophobicContact CG-CD2 3.88Å; E572-Y615 HydrophobicContact CG-CE1 3.94Å; E572-Y615 HydrophobicContact CG-CE2 3.28Å; E572-Y615 HydrophobicContact CG-CG 4.49Å; E572-Y615 PolarHBondContact OE1-OH 2.83Å; E572-Y615 WeakPolarHBondContact OE2-CE2 3.26Å; E572-Y615 PolarHBondContact OE2-OH 2.87Å; P607-Y615 HydrophobicContact CB-CD1 3.98Å; P607-Y615 HydrophobicContact CB-CG 4.21Å; V608-Y615 CarbonylContact O-C 3.58Å; V608-Y615 VanDerWaalsContact O-CA 3.23Å; V608-Y615 WeakPolarHBondContact O-CA 3.49Å; S609-Y615 VanDerWaalsContact N-CD1 3.33Å |
| 616 | Y | 88.3 | Confident | 83.8 | Confident | 48 Ų | 48 | 22.5 Ų | 22.5 | 19% | 0.188 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 163.9 | 175.5 | 71.3 | -82.4 | 0 | 0 | 0 | 111 | A567 V608 D610 P618 | A567-Y616 CarbonylContact O-C 3.54Å; A567-Y616 VanDerWaalsContact O-CA 3.23Å; A567-Y616 WeakPolarHBondContact O-CA 3.41Å; A567-Y616 WeakPolarHBondContact O-CB 3.5Å; V608-Y616 HydrophobicContact CB-CE1 4.34Å; V608-Y616 HydrophobicContact CG1-CE1 4.18Å; V608-Y616 PolarHBondContact N-O 3.06Å; V608-Y616 VanDerWaalsContact O-CD1 3.28Å; V608-Y616 WeakPolarHBondContact O-CD1 3.44Å; V608-Y616 PolarHBondContact O-N 2.85Å; D610-Y616 HydrophobicContact CB-CD1 4.34Å; Y616-P618 HydrophobicContact CE2-CB 3.98Å |
| 617 | L | 90.1 | Very high | 84 | Confident | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | trans | -100 | 118.4 | 176.1 | -55.8 | -171.7 | 0 | 0 | 0 | 110.8 | A567 I570 I578 F580 T605 P607 W619 | A567-L617 HydrophobicContact CB-CB 4.22Å; A567-L617 HydrophobicContact CB-CD1 4.05Å; A567-L617 HydrophobicContact CB-CG 4.03Å; A567-L617 PolarHBondContact O-N 2.85Å; I570-L617 HydrophobicContact CD1-CD1 4.42Å; I570-L617 HydrophobicContact CD1-CD2 3.77Å; I570-L617 HydrophobicContact CD1-CG 3.68Å; I578-L617 HydrophobicContact CB-CD1 4.4Å; I578-L617 HydrophobicContact CB-CD2 4.36Å; I578-L617 HydrophobicContact CD1-CD2 4.4Å; I578-L617 HydrophobicContact CG2-CD1 4.22Å; F580-L617 HydrophobicContact CD2-CD1 4.38Å; F580-L617 HydrophobicContact CE2-CD1 3.55Å; F580-L617 HydrophobicContact CZ-CD1 4.24Å; T605-L617 HydrophobicContact CG2-CB 4.04Å; T605-L617 HydrophobicContact CG2-CD2 4.15Å; T605-L617 HydrophobicContact CG2-CG 4.49Å; P607-L617 HydrophobicContact CB-CD2 4.32Å; L617-W619 HydrophobicContact CB-CD2 4.31Å; L617-W619 HydrophobicContact CB-CZ2 4.18Å; L617-W619 HydrophobicContact CD1-CH2 4.25Å; L617-W619 HydrophobicContact CD1-CZ2 3.55Å; L617-W619 HydrophobicContact CG-CZ2 4.48Å; L617-W619 PolarHBondContact O-N 2.86Å | ||
| 618 | P | 84.3 | Confident | 84.3 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | trans | -85.7 | 68.8 | -172.9 | 36.1 | -39.3 | 0 | 0 | 0 | 112.8 | V608 Y616 G620 Y912 | V608-P618 HydrophobicContact CG2-CG 3.78Å; Y616-P618 HydrophobicContact CE2-CB 3.98Å; P618-G620 VanDerWaalsContact C-N 3.3Å; P618-G620 PolarHBondContact O-N 2.96Å; P618-Y912 HydrophobicContact CB-CE2 3.72Å; P618-Y912 HydrophobicContact CG-CD2 4.19Å; P618-Y912 HydrophobicContact CG-CE2 3.78Å | ||
| 619 | W | 83.7 | Confident | 84.9 | Confident | 15 Ų | 15 | 22.9 Ų | 22.9 | 6% | 0.057 | 12% | 0.122 | C | C | . | . | trans | -71.9 | -14.6 | -178.2 | -64.8 | -38.8 | 0 | 0 | 0 | 115.5 | F564 A567 F580 T602 T605 L617 P624 L908 | F564-W619 HydrophobicContact CB-CE3 4.27Å; F564-W619 HydrophobicContact CB-CH2 3.72Å; F564-W619 HydrophobicContact CB-CZ3 3.47Å; F564-W619 VanDerWaalsContact CB-CZ3 3.47Å; F564-W619 HydrophobicContact CD1-CH2 4.12Å; F564-W619 HydrophobicContact CG-CH2 4.21Å; F564-W619 HydrophobicContact CG-CZ3 4.41Å; A567-W619 HydrophobicContact CB-CH2 3.68Å; A567-W619 HydrophobicContact CB-CZ2 4.39Å; A567-W619 HydrophobicContact CB-CZ3 3.88Å; F580-W619 AromaticContact CD2-CH2 3.85Å; F580-W619 HydrophobicContact CD2-CH2 3.85Å; F580-W619 HydrophobicContact CD2-CZ2 4Å; F580-W619 AromaticContact CE2-CH2 3.85Å; F580-W619 HydrophobicContact CE2-CH2 3.85Å; F580-W619 HydrophobicContact CE2-CZ2 4.05Å; T602-W619 HydrophobicContact CG2-CH2 4.5Å; T602-W619 HydrophobicContact CG2-CZ2 4.29Å; T605-W619 PolarHBondContact OG1-NE1 2.92Å; T605-W619 VanDerWaalsContact OG1-NE1 3.11Å; L617-W619 HydrophobicContact CB-CD2 4.31Å; L617-W619 HydrophobicContact CB-CZ2 4.18Å; L617-W619 HydrophobicContact CD1-CH2 4.25Å; L617-W619 HydrophobicContact CD1-CZ2 3.55Å; L617-W619 HydrophobicContact CG-CZ2 4.48Å; L617-W619 PolarHBondContact O-N 2.86Å; W619-P624 HydrophobicContact CB-CG 4.47Å; W619-P624 VanDerWaalsContact CD2-CD 3.43Å; W619-P624 HydrophobicContact CD2-CG 3.53Å; W619-P624 HydrophobicContact CE3-CG 4.04Å; W619-P624 HydrophobicContact CG-CG 3.74Å; W619-P624 HydrophobicContact CH2-CG 4.48Å; W619-P624 HydrophobicContact CZ2-CG 4.01Å; W619-L908 WeakPolarHBondContact O-CD1 3.49Å | ||
| 620 | G | 77.3 | Confident | 85.5 | Confident | 20 Ų | 20 | 22.5 Ų | 22.5 | 21% | 0.206 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | -144.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P618 K623 | P618-G620 VanDerWaalsContact C-N 3.3Å; P618-G620 PolarHBondContact O-N 2.96Å; G620-K623 WeakPolarHBondContact O-CD 3.47Å; G620-K623 WeakPolarHBondContact O-CE 3.3Å; G620-K623 PolarHBondContact O-NZ 2.88Å |
| 621 | D | 76.7 | Confident | 86.3 | Confident | 34 Ų | 34 | 26.4 Ų | 26.4 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.5 | -177.8 | -50.3 | -45.6 | 0 | 0 | 0 | 114.1 | K623 F1135 | D621-K623 PolarHBondContact O-N 3.46Å; D621-F1135 PolarHBondContact O-N 3.44Å |
| 622 | D | 83 | Confident | 87.6 | Confident | 29 Ų | 29 | 25.5 Ų | 25.5 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 78.4 | 177.4 | -68.6 | -31.6 | 0 | 0 | 0 | 108.8 | F1132 R1134 | D622-F1132 HydrophobicContact CB-CB 4.41Å; D622-F1132 HydrophobicContact CB-CD1 4.14Å; D622-F1132 HydrophobicContact CB-CG 4.44Å; D622-R1134 WeakPolarHBondContact OD1-CB 3.4Å; D622-R1134 WeakPolarHBondContact OD1-CD 3.45Å; D622-R1134 WeakPolarHBondContact OD1-CG 3.38Å; D622-R1134 IonicContact OD1-NE 3.58Å |
| 623 | K | 91.5 | Very high | 88.5 | Confident | 30 Ų | 30 | 21.9 Ų | 21.9 | 13% | 0.13 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 127.9 | -179 | -60.6 | -53 | -174.7 | -172.2 | 0 | 110.3 | F564 L565 G620 D621 C625 F1132 M1133 F1135 | F564-K623 WeakPolarHBondContact O-CB 3.35Å; L565-K623 WeakPolarHBondContact O-CD 3.28Å; L565-K623 VanDerWaalsContact O-CE 3.23Å; L565-K623 WeakPolarHBondContact O-CE 3.39Å; L565-K623 PolarHBondContact O-NZ 2.91Å; G620-K623 WeakPolarHBondContact O-CD 3.47Å; G620-K623 WeakPolarHBondContact O-CE 3.3Å; G620-K623 PolarHBondContact O-NZ 2.88Å; D621-K623 PolarHBondContact O-N 3.46Å; K623-C625 PolarHBondContact O-N 3.46Å; K623-F1132 CarbonylContact O-C 3.44Å; K623-F1132 WeakPolarHBondContact O-CA 3.45Å; K623-M1133 HydrophobicContact CB-CB 4.35Å; K623-M1133 PolarHBondContact N-O 2.7Å; K623-M1133 PolarHBondContact O-N 2.77Å; K623-F1135 HydrophobicContact CB-CD2 4.49Å; K623-F1135 HydrophobicContact CB-CE2 4.04Å; K623-F1135 HydrophobicContact CG-CD2 3.79Å; K623-F1135 HydrophobicContact CG-CE2 3.53Å |
| 624 | P | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 137.4 | 177.1 | -24.7 | 35 | 0 | 0 | 0 | 111.1 | F564 T602 W619 | F564-P624 HydrophobicContact CB-CB 4.46Å; F564-P624 PolarHBondContact N-O 2.82Å; T602-P624 HydrophobicContact CG2-CB 3.71Å; T602-P624 HydrophobicContact CG2-CG 4.36Å; W619-P624 HydrophobicContact CB-CG 4.47Å; W619-P624 VanDerWaalsContact CD2-CD 3.43Å; W619-P624 HydrophobicContact CD2-CG 3.53Å; W619-P624 HydrophobicContact CE3-CG 4.04Å; W619-P624 HydrophobicContact CG-CG 3.74Å; W619-P624 HydrophobicContact CH2-CG 4.48Å; W619-P624 HydrophobicContact CZ2-CG 4.01Å |
| 625 | C | 93.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.027 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.6 | 171.4 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | V562 K623 I1131 M1133 | V562-C625 CarbonylContact O-C 3.52Å; V562-C625 VanDerWaalsContact O-CA 3.26Å; V562-C625 WeakPolarHBondContact O-CA 3.48Å; V562-C625 PolarHBondContact O-SG 2.99Å; K623-C625 PolarHBondContact O-N 3.46Å; C625-I1131 HydrophobicContact CB-CB 4.42Å; C625-I1131 HydrophobicContact CB-CG2 4.03Å; C625-I1131 PolarHBondContact N-O 3Å; C625-I1131 WeakPolarHBondContact O-CB 3.46Å; C625-M1133 HydrophobicContact CB-CG 3.83Å |
| 626 | T | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.1 | 174.9 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | Y561 V562 F564 I582 A599 S600 | Y561-T626 WeakPolarHBondContact CA-O 3.44Å; V562-T626 WeakPolarHBondContact CB-OG1 3.28Å; V562-T626 PolarHBondContact N-O 2.73Å; V562-T626 PolarHBondContact O-N 2.82Å; F564-T626 HydrophobicContact CE2-CG2 3.89Å; I582-T626 HydrophobicContact CG1-CG2 4.27Å; I582-T626 WeakPolarHBondContact CG1-OG1 3.2Å; A599-T626 CarbonylContact O-C 3.5Å; A599-T626 WeakPolarHBondContact O-CA 3.48Å; A599-T626 WeakPolarHBondContact O-CB 3.36Å; S600-T626 VanDerWaalsContact C-CG2 3.5Å; S600-T626 WeakPolarHBondContact O-CG2 3.43Å |
| 627 | M | 91.6 | Very high | 90.1 | Very high | 14 Ų | 14 | 16.7 Ų | 16.7 | 7% | 0.069 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 121.9 | 175.2 | -177.4 | -154.4 | 71.5 | 0 | 0 | 108.6 | L560 Y561 A599 D629 C1094 I1131 | L560-M627 WeakPolarHBondContact O-CA 3.47Å; Y561-M627 HydrophobicContact CD1-CB 4.2Å; Y561-M627 HydrophobicContact CD1-CG 4.17Å; Y561-M627 HydrophobicContact CE1-CB 3.99Å; Y561-M627 HydrophobicContact CE1-CG 3.63Å; Y561-M627 HydrophobicContact CE1-SD 4.22Å; Y561-M627 HydrophobicContact CE2-CG 4.46Å; A599-M627 PolarHBondContact N-O 3.14Å; A599-M627 PolarHBondContact O-N 3.35Å; M627-D629 WeakPolarHBondContact CE-OD2 3.5Å; M627-C1094 VanDerWaalsContact CE-SG 3.56Å; M627-I1131 HydrophobicContact CB-CD1 3.52Å; M627-I1131 HydrophobicContact SD-CD1 4.45Å |
| 628 | V | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113.2 | 178 | -179.3 | 0 | 0 | 0 | 0 | 109 | L560 I582 I584 H587 C598 | L560-V628 HydrophobicContact CB-CB 4.22Å; L560-V628 HydrophobicContact CD2-CB 4.46Å; L560-V628 PolarHBondContact N-O 2.93Å; L560-V628 PolarHBondContact O-N 2.73Å; I582-V628 HydrophobicContact CG2-CG2 4.32Å; I584-V628 HydrophobicContact CG2-CG1 4.2Å; H587-V628 HydrophobicContact CB-CG1 3.58Å; C598-V628 HydrophobicContact CB-CB 4.5Å; C598-V628 HydrophobicContact CB-CG1 4.38Å; C598-V628 HydrophobicContact CB-CG2 4.33Å |
| 629 | D | 90.8 | Very high | 90.8 | Very high | 39 Ų | 39 | 16.1 Ų | 16.1 | 21% | 0.209 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126 | 171.1 | -67.3 | -46.8 | 0 | 0 | 0 | 108.9 | Q559 H587 M627 | Q559-D629 PolarHBondContact NE2-OD1 2.87Å; H587-D629 PolarHBondContact ND1-O 3.08Å; M627-D629 WeakPolarHBondContact CE-OD2 3.5Å |
| 630 | S | 93.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 166.7 | -178.7 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | Y558 W632 | Y558-S630 PolarHBondContact N-O 2.99Å; Y558-S630 PolarHBondContact O-N 2.91Å; Y558-S630 VanDerWaalsContact O-O 3.06Å; Y558-S630 PolarHBondContact O-OG 3.02Å; S630-W632 VanDerWaalsContact CB-NE1 3.31Å; S630-W632 PolarHBondContact OG-NE1 3.29Å |
| 631 | Q | 92.6 | Very high | 92.3 | Very high | 96 Ų | 96 | 14.8 Ų | 14.8 | 45% | 0.449 | 8% | 0.076 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 121.4 | 178.9 | -63.8 | -179.5 | 18.4 | 0 | 0 | 110.1 | R555 R556 K557 | R555-Q631 HydrophobicContact CB-CB 4.13Å; R556-Q631 VanDerWaalsContact O-CA 3.24Å; R556-Q631 WeakPolarHBondContact O-CA 3.3Å; K557-Q631 HydrophobicContact CG-CG 4.15Å |
| 632 | W | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.5 | -177 | -53 | 107.8 | 0 | 0 | 0 | 110.4 | R520 R555 R556 Y558 I584 H587 S630 I758 P759 F829 | R520-W632 VanDerWaalsContact NH1-CE3 3.29Å; R555-W632 CarbonylContact C-O 3.53Å; R555-W632 WeakPolarHBondContact CA-O 3.38Å; R556-W632 PolarHBondContact N-O 2.95Å; R556-W632 PolarHBondContact O-N 3.06Å; Y558-W632 HydrophobicContact CD2-CB 3.94Å; Y558-W632 HydrophobicContact CD2-CG 4.42Å; Y558-W632 HydrophobicContact CE2-CB 4.03Å; I584-W632 HydrophobicContact CG1-CZ2 4.07Å; I584-W632 HydrophobicContact CG2-CZ2 4.39Å; H587-W632 AromaticContact CD2-CZ2 3.82Å; S630-W632 VanDerWaalsContact CB-NE1 3.31Å; S630-W632 PolarHBondContact OG-NE1 3.29Å; W632-I758 HydrophobicContact CB-CD1 4.34Å; W632-I758 HydrophobicContact CB-CG1 4.11Å; W632-I758 HydrophobicContact CG-CG1 4.44Å; W632-I758 HydrophobicContact CG-CG2 4.36Å; W632-P759 HydrophobicContact CE3-CG 4.45Å; W632-P759 HydrophobicContact CH2-CG 3.51Å; W632-P759 HydrophobicContact CZ2-CG 4.02Å; W632-P759 HydrophobicContact CZ3-CG 3.75Å; W632-F829 AromaticContact CD1-CZ 3.89Å |
| 633 | E | 93.5 | Very high | 94 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 132.5 | 163 | 52.2 | -68.4 | 163.5 | 0 | 0 | 111.5 | R520 I635 I699 S757 | R520-E633 IonicContact CZ-OE2 3.73Å; R520-E633 IonicContact NH1-OE1 2.81Å; R520-E633 PolarHBondContact NH1-OE1 3.05Å; R520-E633 IonicContact NH1-OE2 3.3Å; R520-E633 PolarHBondContact NH1-OE2 2.97Å; R520-E633 IonicContact NH2-OE2 3.48Å; R520-E633 PolarHBondContact NH2-OE2 3.23Å; E633-I635 HydrophobicContact CG-CG2 4.27Å; E633-I635 PolarHBondContact O-N 3.37Å; E633-I699 HydrophobicContact CB-CG2 3.6Å; E633-S757 WeakPolarHBondContact CG-OG 3.33Å; E633-S757 WeakPolarHBondContact OE1-CB 3.27Å; E633-S757 PolarHBondContact OE1-OG 3.26Å |
| 634 | D | 93.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 10.7 Ų | 10.7 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | trans | -84.4 | 96.6 | -179.6 | -171.8 | -11.5 | 0 | 0 | 0 | 110.4 | R556 Y558 S636 N698 I699 | R556-D634 WeakPolarHBondContact CD-OD2 3.12Å; R556-D634 HydrophobicContact CG-CB 4.09Å; R556-D634 IonicContact CZ-OD2 3.93Å; R556-D634 IonicContact NE-OD2 3.11Å; R556-D634 IonicContact NH1-OD2 3.01Å; R556-D634 PolarHBondContact NH1-OD2 2.8Å; Y558-D634 PolarHBondContact OH-OD1 2.97Å; D634-S636 VanDerWaalsContact OD1-CB 3.29Å; D634-S636 WeakPolarHBondContact OD1-CB 3.37Å; D634-S636 PolarHBondContact OD1-N 2.83Å; D634-S636 VanDerWaalsContact OD1-N 3.15Å; D634-S636 PolarHBondContact OD1-OG 2.79Å; D634-S636 VanDerWaalsContact OD1-OG 3.11Å; D634-N698 VanDerWaalsContact CG-ND2 3.28Å; D634-N698 WeakPolarHBondContact O-CB 3.25Å; D634-N698 PolarHBondContact O-ND2 3.11Å; D634-N698 PolarHBondContact OD1-ND2 2.85Å; D634-I699 PolarHBondContact O-N 3.28Å | ||
| 635 | I | 94.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | trans | -105.9 | 27.6 | 177.1 | 58.2 | 158 | 0 | 0 | 0 | 112.3 | E633 F637 R638 L639 I699 I758 | E633-I635 HydrophobicContact CG-CG2 4.27Å; E633-I635 PolarHBondContact O-N 3.37Å; I635-F637 PolarHBondContact O-N 2.95Å; I635-F637 VanDerWaalsContact O-N 3.12Å; I635-R638 HydrophobicContact CB-CG 4.4Å; I635-R638 WeakPolarHBondContact O-CB 3.47Å; I635-R638 PolarHBondContact O-N 2.64Å; I635-L639 HydrophobicContact CD1-CD1 3.93Å; I635-L639 HydrophobicContact CD1-CD2 3.85Å; I635-L639 HydrophobicContact CD1-CG 3.82Å; I635-L639 HydrophobicContact CG1-CD1 4.02Å; I635-L639 HydrophobicContact CG1-CG 4.05Å; I635-L639 PolarHBondContact O-N 2.96Å; I635-I699 HydrophobicContact CG2-CD1 3.41Å; I635-I699 VanDerWaalsContact CG2-CD1 3.41Å; I635-I699 HydrophobicContact CG2-CG1 3.88Å; I635-I758 HydrophobicContact CD1-CD1 4.39Å; I635-I758 HydrophobicContact CD1-CG1 4.12Å; I635-I758 HydrophobicContact CG1-CD1 3.98Å; I635-I758 HydrophobicContact CG1-CG1 4.1Å | ||
| 636 | S | 91.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 12.4 Ų | 12.4 | 16% | 0.161 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -53.2 | -35.6 | -175.9 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | D634 R638 L639 G640 N698 | D634-S636 VanDerWaalsContact OD1-CB 3.29Å; D634-S636 WeakPolarHBondContact OD1-CB 3.37Å; D634-S636 PolarHBondContact OD1-N 2.83Å; D634-S636 VanDerWaalsContact OD1-N 3.15Å; D634-S636 PolarHBondContact OD1-OG 2.79Å; D634-S636 VanDerWaalsContact OD1-OG 3.11Å; S636-R638 VanDerWaalsContact C-N 3.28Å; S636-R638 PolarHBondContact O-N 2.79Å; S636-L639 PolarHBondContact O-N 3.05Å; S636-G640 PolarHBondContact O-N 2.92Å; S636-N698 PolarHBondContact OG-ND2 3.02Å |
| 637 | F | 93.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 14.5 Ų | 14.5 | 8% | 0.079 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.4 | -30.3 | 177.5 | 74.1 | -86.3 | 0 | 0 | 0 | 113.7 | I635 P692 N698 I699 D705 | I635-F637 PolarHBondContact O-N 2.95Å; I635-F637 VanDerWaalsContact O-N 3.12Å; F637-P692 HydrophobicContact CB-CB 4.28Å; F637-N698 HydrophobicContact CD1-CB 4.13Å; F637-N698 HydrophobicContact CE1-CB 4.36Å; F637-I699 HydrophobicContact CE1-CG1 4.37Å; F637-D705 HydrophobicContact CE2-CB 3.93Å; F637-D705 HydrophobicContact CZ-CB 4.41Å; F637-D705 WeakPolarHBondContact CZ-OD2 3.12Å |
| 638 | R | 95.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 1% | 0.011 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -75.6 | -52.5 | 174.7 | -58.4 | -178.6 | -176.9 | 159.8 | 0.3 | 110.6 | S486 I635 S636 G640 A641 V642 N702 D705 E753 Q755 | S486-R638 PolarHBondContact OG-NH1 3.35Å; I635-R638 HydrophobicContact CB-CG 4.4Å; I635-R638 WeakPolarHBondContact O-CB 3.47Å; I635-R638 PolarHBondContact O-N 2.64Å; S636-R638 VanDerWaalsContact C-N 3.28Å; S636-R638 PolarHBondContact O-N 2.79Å; R638-G640 PolarHBondContact O-N 2.83Å; R638-A641 WeakPolarHBondContact O-CB 3.48Å; R638-A641 PolarHBondContact O-N 2.99Å; R638-V642 PolarHBondContact O-N 3.31Å; R638-N702 PolarHBondContact NH2-ND2 3.37Å; R638-D705 IonicContact CZ-OD1 3.19Å; R638-D705 IonicContact CZ-OD2 2.62Å; R638-D705 IonicContact NE-OD1 2.64Å; R638-D705 PolarHBondContact NE-OD1 3.47Å; R638-D705 IonicContact NE-OD2 3.79Å; R638-D705 IonicContact NH2-OD1 2.94Å; R638-D705 PolarHBondContact NH2-OD1 2.89Å; R638-D705 IonicContact NH2-OD2 3.61Å; R638-D705 PolarHBondContact NH2-OD2 3.28Å; R638-E753 HydrophobicContact CB-CG 4.38Å; R638-Q755 PolarHBondContact NH1-O 3.23Å |
| 639 | L | 95 | Very high | 95.1 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.1 | -34.9 | -174.2 | -56.3 | -172.8 | 0 | 0 | 0 | 112 | I635 S636 A641 V642 N643 M756 I758 H780 L783 | I635-L639 HydrophobicContact CD1-CD1 3.93Å; I635-L639 HydrophobicContact CD1-CD2 3.85Å; I635-L639 HydrophobicContact CD1-CG 3.82Å; I635-L639 HydrophobicContact CG1-CD1 4.02Å; I635-L639 HydrophobicContact CG1-CG 4.05Å; I635-L639 PolarHBondContact O-N 2.96Å; S636-L639 PolarHBondContact O-N 3.05Å; L639-A641 VanDerWaalsContact C-N 3.3Å; L639-A641 PolarHBondContact O-N 2.97Å; L639-V642 WeakPolarHBondContact O-CB 3.29Å; L639-V642 PolarHBondContact O-N 2.82Å; L639-N643 WeakPolarHBondContact O-CB 3.15Å; L639-N643 VanDerWaalsContact O-CG 3.31Å; L639-N643 PolarHBondContact O-N 2.79Å; L639-N643 PolarHBondContact O-ND2 2.8Å; L639-M756 HydrophobicContact CD2-SD 3.5Å; L639-M756 VanDerWaalsContact CD2-SD 3.5Å; L639-I758 HydrophobicContact CD1-CD1 4.04Å; L639-H780 HydrophobicContact CB-CB 4.26Å; L639-H780 HydrophobicContact CD2-CB 4.2Å; L639-L783 HydrophobicContact CB-CD2 3.58Å; L639-L783 HydrophobicContact CD1-CD2 3.72Å; L639-L783 HydrophobicContact CG-CD2 4.28Å |
| 640 | G | 95.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -35.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S636 R638 N643 L644 P692 | S636-G640 PolarHBondContact O-N 2.92Å; R638-G640 PolarHBondContact O-N 2.83Å; G640-N643 PolarHBondContact O-N 3.36Å; G640-L644 PolarHBondContact O-N 3.19Å; G640-P692 VanDerWaalsContact C-CG 3.49Å |
| 641 | A | 96.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.5 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R638 L639 L644 L645 L691 P692 | R638-A641 WeakPolarHBondContact O-CB 3.48Å; R638-A641 PolarHBondContact O-N 2.99Å; L639-A641 VanDerWaalsContact C-N 3.3Å; L639-A641 PolarHBondContact O-N 2.97Å; A641-L644 PolarHBondContact O-N 3.04Å; A641-L645 VanDerWaalsContact O-CG 3.31Å; A641-L645 WeakPolarHBondContact O-CG 3.43Å; A641-L645 PolarHBondContact O-N 3.22Å; A641-L645 VanDerWaalsContact O-N 3.12Å; A641-L691 HydrophobicContact CB-CD2 4.14Å; A641-P692 HydrophobicContact CB-CG 4.46Å |
| 642 | V | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.018 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 173.5 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | R638 L639 L644 L645 L646 A751 E753 | R638-V642 PolarHBondContact O-N 3.31Å; L639-V642 WeakPolarHBondContact O-CB 3.29Å; L639-V642 PolarHBondContact O-N 2.82Å; V642-L644 PolarHBondContact O-N 2.76Å; V642-L645 PolarHBondContact O-N 2.71Å; V642-L646 HydrophobicContact CG1-CD1 3.81Å; V642-L646 HydrophobicContact CG1-CG 4.22Å; V642-L646 WeakPolarHBondContact O-CG 3.24Å; V642-L646 PolarHBondContact O-N 3.48Å; V642-A751 WeakPolarHBondContact CG1-O 3.26Å; V642-A751 WeakPolarHBondContact CG2-O 3.34Å; V642-E753 HydrophobicContact CG2-CB 3.46Å; V642-E753 VanDerWaalsContact CG2-CB 3.46Å; V642-E753 HydrophobicContact CG2-CG 4.15Å |
| 643 | N | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | -177.7 | -75.1 | -19.9 | 0 | 0 | 0 | 112.9 | L639 G640 L646 R647 H780 Y790 G792 | L639-N643 WeakPolarHBondContact O-CB 3.15Å; L639-N643 VanDerWaalsContact O-CG 3.31Å; L639-N643 PolarHBondContact O-N 2.79Å; L639-N643 PolarHBondContact O-ND2 2.8Å; G640-N643 PolarHBondContact O-N 3.36Å; N643-L646 PolarHBondContact O-N 2.76Å; N643-R647 WeakPolarHBondContact O-CB 3.3Å; N643-R647 PolarHBondContact O-N 3.41Å; N643-H780 PolarHBondContact ND2-O 2.91Å; N643-H780 VanDerWaalsContact ND2-O 3.1Å; N643-H780 PolarHBondContact OD1-CD2 3.11Å; N643-H780 PolarHBondContact OD1-O 2.99Å; N643-H780 VanDerWaalsContact OD1-O 3.07Å; N643-Y790 WeakPolarHBondContact CB-O 3.48Å; N643-Y790 PolarHBondContact ND2-O 2.82Å; N643-G792 WeakPolarHBondContact ND2-CA 3.42Å; N643-G792 PolarHBondContact ND2-N 3.38Å; N643-G792 VanDerWaalsContact ND2-N 3.18Å |
| 644 | L | 97.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.3 | -51.5 | 172.6 | 172.2 | 59.4 | 0 | 0 | 0 | 110.4 | G640 A641 V642 L646 R647 I648 H689 L691 D789 Y790 | G640-L644 PolarHBondContact O-N 3.19Å; A641-L644 PolarHBondContact O-N 3.04Å; V642-L644 PolarHBondContact O-N 2.76Å; L644-L646 PolarHBondContact O-N 3.1Å; L644-R647 WeakPolarHBondContact O-CB 3.43Å; L644-R647 PolarHBondContact O-N 2.85Å; L644-R647 VanDerWaalsContact O-N 3.1Å; L644-I648 HydrophobicContact CD1-CD1 4.12Å; L644-I648 HydrophobicContact CD1-CG1 4.21Å; L644-I648 HydrophobicContact CG-CD1 4.2Å; L644-I648 WeakPolarHBondContact O-CG1 3Å; L644-I648 PolarHBondContact O-N 2.66Å; L644-H689 HydrophobicContact CD1-CB 3.81Å; L644-H689 HydrophobicContact CD2-CB 3.95Å; L644-L691 HydrophobicContact CD2-CD2 4.16Å; L644-D789 VanDerWaalsContact CA-O 3.3Å; L644-D789 WeakPolarHBondContact CA-O 3.44Å; L644-D789 HydrophobicContact CD1-CB 4.2Å; L644-D789 PolarHBondContact N-O 2.8Å; L644-Y790 HydrophobicContact CB-CD1 4.29Å; L644-Y790 HydrophobicContact CD2-CE1 4.26Å |
| 645 | L | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | -179.1 | -67.9 | 168.8 | 0 | 0 | 0 | 112.3 | A641 V642 R647 I648 A649 R712 L716 I747 L750 A751 | A641-L645 VanDerWaalsContact O-CG 3.31Å; A641-L645 WeakPolarHBondContact O-CG 3.43Å; A641-L645 PolarHBondContact O-N 3.22Å; A641-L645 VanDerWaalsContact O-N 3.12Å; V642-L645 PolarHBondContact O-N 2.71Å; L645-R647 VanDerWaalsContact C-N 3.27Å; L645-R647 PolarHBondContact O-N 2.74Å; L645-I648 PolarHBondContact O-N 2.73Å; L645-A649 PolarHBondContact O-N 2.82Å; L645-R712 HydrophobicContact CD1-CG 4.16Å; L645-L716 HydrophobicContact CD2-CD1 4.15Å; L645-L716 HydrophobicContact CD2-CD2 3.98Å; L645-L716 HydrophobicContact CD2-CG 4.32Å; L645-I747 HydrophobicContact CB-CG2 4.17Å; L645-I747 HydrophobicContact CD2-CD1 4.39Å; L645-I747 HydrophobicContact CD2-CG2 4.36Å; L645-I747 WeakPolarHBondContact O-CG2 3.02Å; L645-L750 HydrophobicContact CD1-CB 3.99Å; L645-L750 WeakPolarHBondContact CD1-O 3.38Å; L645-L750 HydrophobicContact CD2-CB 4.43Å; L645-A751 HydrophobicContact CB-CB 3.86Å |
| 646 | L | 97 | Very high | 95.2 | Very high | 40 Ų | 40 | 21.9 Ų | 21.9 | 21% | 0.209 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.3 | -34.9 | 175.7 | -70 | 177.1 | 0 | 0 | 0 | 112.3 | V642 N643 L644 A649 D650 L748 A751 L793 | V642-L646 HydrophobicContact CG1-CD1 3.81Å; V642-L646 HydrophobicContact CG1-CG 4.22Å; V642-L646 WeakPolarHBondContact O-CG 3.24Å; V642-L646 PolarHBondContact O-N 3.48Å; N643-L646 PolarHBondContact O-N 2.76Å; L644-L646 PolarHBondContact O-N 3.1Å; L646-A649 PolarHBondContact O-N 2.75Å; L646-D650 WeakPolarHBondContact O-CB 3.46Å; L646-D650 PolarHBondContact O-N 2.57Å; L646-L748 HydrophobicContact CD2-CD2 4.18Å; L646-A751 HydrophobicContact CD2-CB 3.75Å; L646-A751 HydrophobicContact CG-CB 3.99Å; L646-L793 HydrophobicContact CB-CD1 4.08Å |
| 647 | R | 96 | Very high | 94.9 | Very high | 44 Ų | 44 | 22.8 Ų | 22.8 | 17% | 0.166 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.9 | -45 | 175 | -175.6 | 173.6 | -61.9 | -150.8 | -2.5 | 112.3 | N643 L644 L645 A649 D650 H651 E788 R791 L793 | N643-R647 WeakPolarHBondContact O-CB 3.3Å; N643-R647 PolarHBondContact O-N 3.41Å; L644-R647 WeakPolarHBondContact O-CB 3.43Å; L644-R647 PolarHBondContact O-N 2.85Å; L644-R647 VanDerWaalsContact O-N 3.1Å; L645-R647 VanDerWaalsContact C-N 3.27Å; L645-R647 PolarHBondContact O-N 2.74Å; R647-A649 VanDerWaalsContact C-N 3.29Å; R647-A649 PolarHBondContact O-N 3.43Å; R647-D650 PolarHBondContact O-N 3.48Å; R647-D650 VanDerWaalsContact O-N 3.13Å; R647-H651 PolarHBondContact O-N 3.04Å; R647-E788 PolarHBondContact NH1-O 2.86Å; R647-E788 VanDerWaalsContact NH1-O 3.12Å; R647-E788 PolarHBondContact NH2-O 3.19Å; R647-R791 PolarHBondContact NH2-O 3.24Å; R647-L793 HydrophobicContact CB-CD2 4.15Å; R647-L793 HydrophobicContact CG-CD2 4.32Å |
| 648 | I | 97.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 175.3 | -60.3 | 177.7 | 0 | 0 | 0 | 110.3 | L644 L645 D650 H651 L652 F683 D686 L716 I747 | L644-I648 HydrophobicContact CD1-CD1 4.12Å; L644-I648 HydrophobicContact CD1-CG1 4.21Å; L644-I648 HydrophobicContact CG-CD1 4.2Å; L644-I648 WeakPolarHBondContact O-CG1 3Å; L644-I648 PolarHBondContact O-N 2.66Å; L645-I648 PolarHBondContact O-N 2.73Å; I648-D650 VanDerWaalsContact C-N 3.32Å; I648-D650 PolarHBondContact O-N 3.34Å; I648-H651 PolarHBondContact O-N 2.87Å; I648-L652 PolarHBondContact O-N 3.22Å; I648-L652 VanDerWaalsContact O-N 3.09Å; I648-F683 HydrophobicContact CG2-CD2 3.63Å; I648-F683 HydrophobicContact CG2-CE2 3.56Å; I648-D686 HydrophobicContact CB-CB 4.42Å; I648-D686 HydrophobicContact CD1-CB 4.2Å; I648-D686 HydrophobicContact CG1-CB 3.85Å; I648-D686 HydrophobicContact CG2-CB 4Å; I648-L716 HydrophobicContact CD1-CD2 4.28Å; I648-I747 HydrophobicContact CB-CG2 4.26Å; I648-I747 HydrophobicContact CG2-CD1 4.32Å; I648-I747 HydrophobicContact CG2-CG1 4.29Å; I648-I747 HydrophobicContact CG2-CG2 4.39Å |
| 649 | A | 96.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.1 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L645 L646 R647 L652 E653 I747 L748 | L645-A649 PolarHBondContact O-N 2.82Å; L646-A649 PolarHBondContact O-N 2.75Å; R647-A649 VanDerWaalsContact C-N 3.29Å; R647-A649 PolarHBondContact O-N 3.43Å; A649-L652 PolarHBondContact O-N 2.93Å; A649-E653 PolarHBondContact O-N 2.76Å; A649-I747 HydrophobicContact CB-CB 4.41Å; A649-I747 HydrophobicContact CB-CG2 3.87Å; A649-L748 HydrophobicContact CB-CD2 3.74Å; A649-L748 HydrophobicContact CB-CG 4.04Å |
| 650 | D | 94.5 | Very high | 93.6 | Very high | 60 Ų | 60 | 31.3 Ų | 31.3 | 32% | 0.321 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.4 | -38.6 | 178.5 | -177.5 | 81.2 | 0 | 0 | 0 | 112.6 | L646 R647 I648 E653 R654 L793 | L646-D650 WeakPolarHBondContact O-CB 3.46Å; L646-D650 PolarHBondContact O-N 2.57Å; R647-D650 PolarHBondContact O-N 3.48Å; R647-D650 VanDerWaalsContact O-N 3.13Å; I648-D650 VanDerWaalsContact C-N 3.32Å; I648-D650 PolarHBondContact O-N 3.34Å; D650-E653 PolarHBondContact O-N 3.07Å; D650-R654 WeakPolarHBondContact O-CG 3.4Å; D650-R654 PolarHBondContact O-N 3.46Å; D650-R654 VanDerWaalsContact O-N 3.08Å; D650-R654 IonicContact OD2-CZ 2.64Å; D650-R654 IonicContact OD2-NE 3.82Å; D650-R654 PolarHBondContact OD2-NE 3.41Å; D650-R654 IonicContact OD2-NH2 2.82Å; D650-R654 PolarHBondContact OD2-NH2 2.9Å; D650-L793 HydrophobicContact CB-CD1 4.5Å |
| 651 | H | 94.9 | Very high | 92.7 | Very high | 38 Ų | 38 | 36.1 Ų | 36.1 | 18% | 0.176 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 170.4 | -67.9 | 172.8 | 0 | 0 | 0 | 111.5 | R647 I648 E653 R654 G655 D686 | R647-H651 PolarHBondContact O-N 3.04Å; I648-H651 PolarHBondContact O-N 2.87Å; H651-E653 PolarHBondContact O-N 3.01Å; H651-R654 PolarHBondContact CD2-NH2 2.79Å; H651-R654 WeakPolarHBondContact O-CB 3.44Å; H651-R654 PolarHBondContact O-N 3.2Å; H651-G655 PolarHBondContact O-N 3.3Å; H651-D686 IonicContact CE1-OD2 3.84Å; H651-D686 IonicContact CG-OD2 2.8Å; H651-D686 IonicContact ND1-OD1 3.26Å; H651-D686 IonicContact ND1-OD2 2.78Å; H651-D686 PolarHBondContact ND1-OD2 3.01Å |
| 652 | L | 94.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.5 | -84.6 | 174.6 | 0 | 0 | 0 | 112.8 | I648 A649 R654 G655 I656 F683 L740 R744 | I648-L652 PolarHBondContact O-N 3.22Å; I648-L652 VanDerWaalsContact O-N 3.09Å; A649-L652 PolarHBondContact O-N 2.93Å; L652-R654 VanDerWaalsContact C-N 3.3Å; L652-R654 PolarHBondContact O-N 2.98Å; L652-G655 PolarHBondContact O-N 3.43Å; L652-I656 WeakPolarHBondContact O-CB 3.32Å; L652-I656 VanDerWaalsContact O-CG1 3.25Å; L652-I656 WeakPolarHBondContact O-CG1 3.01Å; L652-I656 PolarHBondContact O-N 2.74Å; L652-F683 HydrophobicContact CD1-CD2 3.42Å; L652-F683 VanDerWaalsContact CD1-CD2 3.42Å; L652-F683 HydrophobicContact CD1-CE2 3.48Å; L652-F683 VanDerWaalsContact CD1-CE2 3.48Å; L652-F683 HydrophobicContact CD1-CG 4.1Å; L652-F683 HydrophobicContact CD1-CZ 4.19Å; L652-F683 HydrophobicContact CD2-CB 3.8Å; L652-F683 HydrophobicContact CD2-CD2 3.91Å; L652-F683 HydrophobicContact CD2-CG 3.82Å; L652-F683 HydrophobicContact CG-CB 4.32Å; L652-F683 HydrophobicContact CG-CD2 3.67Å; L652-F683 HydrophobicContact CG-CE2 4.25Å; L652-F683 HydrophobicContact CG-CG 4.11Å; L652-L740 HydrophobicContact CD2-CD2 3.78Å; L652-R744 HydrophobicContact CB-CB 4.28Å; L652-R744 HydrophobicContact CD1-CB 4.11Å |
| 653 | E | 94.4 | Very high | 90.9 | Very high | 69 Ų | 69 | 37.8 Ų | 37.8 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.7 | -39.3 | 178.1 | -177.8 | 63.2 | -163.9 | 0 | 0 | 111.8 | A649 D650 H651 I656 S657 R744 | A649-E653 PolarHBondContact O-N 2.76Å; D650-E653 PolarHBondContact O-N 3.07Å; H651-E653 PolarHBondContact O-N 3.01Å; E653-I656 PolarHBondContact O-N 2.94Å; E653-S657 VanDerWaalsContact O-CB 3.27Å; E653-S657 WeakPolarHBondContact O-CB 3.24Å; E653-S657 PolarHBondContact O-N 2.56Å; E653-S657 PolarHBondContact O-OG 2.9Å; E653-R744 WeakPolarHBondContact OE2-CD 3.3Å; E653-R744 IonicContact OE2-CZ 3.79Å; E653-R744 IonicContact OE2-NE 3.27Å; E653-R744 PolarHBondContact OE2-NE 3.39Å; E653-R744 IonicContact OE2-NH2 3.28Å |
| 654 | R | 91.1 | Very high | 89.4 | Confident | 128 Ų | 128 | 45.9 Ų | 45.9 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 174.7 | -71.4 | -174 | -108.4 | -178.6 | 3 | 111.3 | D650 H651 L652 S657 H658 | D650-R654 WeakPolarHBondContact O-CG 3.4Å; D650-R654 PolarHBondContact O-N 3.46Å; D650-R654 VanDerWaalsContact O-N 3.08Å; D650-R654 IonicContact OD2-CZ 2.64Å; D650-R654 IonicContact OD2-NE 3.82Å; D650-R654 PolarHBondContact OD2-NE 3.41Å; D650-R654 IonicContact OD2-NH2 2.82Å; D650-R654 PolarHBondContact OD2-NH2 2.9Å; H651-R654 PolarHBondContact CD2-NH2 2.79Å; H651-R654 WeakPolarHBondContact O-CB 3.44Å; H651-R654 PolarHBondContact O-N 3.2Å; L652-R654 VanDerWaalsContact C-N 3.3Å; L652-R654 PolarHBondContact O-N 2.98Å; R654-S657 PolarHBondContact O-N 3.15Å; R654-H658 VanDerWaalsContact O-CG 3.29Å; R654-H658 PolarHBondContact O-N 3.44Å; R654-H658 PolarHBondContact O-ND1 3.1Å |
| 655 | G | 90.5 | Very high | 88 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H651 L652 S657 H658 L659 S679 | H651-G655 PolarHBondContact O-N 3.3Å; L652-G655 PolarHBondContact O-N 3.43Å; G655-S657 VanDerWaalsContact C-N 3.34Å; G655-S657 PolarHBondContact O-N 3.02Å; G655-H658 PolarHBondContact O-N 3.28Å; G655-L659 WeakPolarHBondContact O-CB 3.08Å; G655-L659 PolarHBondContact O-N 2.67Å; G655-S679 VanDerWaalsContact CA-OG 3.3Å; G655-S679 WeakPolarHBondContact CA-OG 3.46Å |
| 656 | I | 94.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 175.8 | -71.2 | 164.4 | 0 | 0 | 0 | 110.6 | L652 E653 H658 L659 M660 L737 L740 K741 R744 | L652-I656 WeakPolarHBondContact O-CB 3.32Å; L652-I656 VanDerWaalsContact O-CG1 3.25Å; L652-I656 WeakPolarHBondContact O-CG1 3.01Å; L652-I656 PolarHBondContact O-N 2.74Å; E653-I656 PolarHBondContact O-N 2.94Å; I656-H658 PolarHBondContact O-N 3.47Å; I656-L659 PolarHBondContact O-N 3.12Å; I656-M660 HydrophobicContact CG2-CG 4.31Å; I656-M660 HydrophobicContact CG2-SD 4.44Å; I656-M660 WeakPolarHBondContact O-CG 3.37Å; I656-M660 PolarHBondContact O-N 3.04Å; I656-L737 HydrophobicContact CG2-CD1 4.02Å; I656-L740 HydrophobicContact CD1-CB 4.18Å; I656-L740 HydrophobicContact CG1-CB 3.92Å; I656-K741 HydrophobicContact CD1-CG 4.06Å; I656-K741 HydrophobicContact CG2-CG 4.35Å; I656-R744 HydrophobicContact CD1-CB 4.33Å |
| 657 | S | 85.9 | Confident | 85.8 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | -179.8 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | E653 R654 G655 L659 M660 V661 | E653-S657 VanDerWaalsContact O-CB 3.27Å; E653-S657 WeakPolarHBondContact O-CB 3.24Å; E653-S657 PolarHBondContact O-N 2.56Å; E653-S657 PolarHBondContact O-OG 2.9Å; R654-S657 PolarHBondContact O-N 3.15Å; G655-S657 VanDerWaalsContact C-N 3.34Å; G655-S657 PolarHBondContact O-N 3.02Å; S657-L659 VanDerWaalsContact C-N 3.34Å; S657-L659 PolarHBondContact O-N 3.13Å; S657-M660 PolarHBondContact O-N 3.33Å; S657-V661 VanDerWaalsContact O-CG2 3.28Å; S657-V661 WeakPolarHBondContact O-CG2 3.21Å; S657-V661 PolarHBondContact O-N 2.6Å |
| 658 | H | 85.4 | Confident | 85.1 | Confident | 118 Ų | 118 | 58.7 Ų | 58.7 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 175.6 | -67.3 | 161.4 | 0 | 0 | 0 | 112.3 | R654 G655 I656 V661 A662 L675 | R654-H658 VanDerWaalsContact O-CG 3.29Å; R654-H658 PolarHBondContact O-N 3.44Å; R654-H658 PolarHBondContact O-ND1 3.1Å; G655-H658 PolarHBondContact O-N 3.28Å; I656-H658 PolarHBondContact O-N 3.47Å; H658-V661 PolarHBondContact O-N 3.37Å; H658-A662 WeakPolarHBondContact O-CB 3.34Å; H658-A662 PolarHBondContact O-N 2.89Å; H658-L675 HydrophobicContact CB-CD2 4.47Å |
| 659 | L | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 177.3 | -179.1 | 57.6 | 0 | 0 | 0 | 111.8 | G655 I656 S657 V661 A662 I663 Q672 L675 A676 I733 L737 L740 | G655-L659 WeakPolarHBondContact O-CB 3.08Å; G655-L659 PolarHBondContact O-N 2.67Å; I656-L659 PolarHBondContact O-N 3.12Å; S657-L659 VanDerWaalsContact C-N 3.34Å; S657-L659 PolarHBondContact O-N 3.13Å; L659-V661 VanDerWaalsContact C-N 3.32Å; L659-V661 PolarHBondContact O-N 2.87Å; L659-A662 WeakPolarHBondContact O-CB 3.15Å; L659-A662 PolarHBondContact O-N 2.76Å; L659-A662 VanDerWaalsContact O-N 3.15Å; L659-I663 HydrophobicContact CD1-CD1 4.24Å; L659-I663 HydrophobicContact CD1-CG1 4.36Å; L659-I663 HydrophobicContact CG-CD1 3.99Å; L659-I663 VanDerWaalsContact O-CG1 3.31Å; L659-I663 WeakPolarHBondContact O-CG1 3.48Å; L659-I663 PolarHBondContact O-N 3.05Å; L659-Q672 HydrophobicContact CD1-CB 4.1Å; L659-Q672 VanDerWaalsContact CD1-O 3.32Å; L659-Q672 WeakPolarHBondContact CD1-O 3.28Å; L659-L675 HydrophobicContact CD1-CB 4.34Å; L659-A676 HydrophobicContact CD2-CB 4Å; L659-I733 HydrophobicContact CD1-CG2 4.15Å; L659-L737 HydrophobicContact CD2-CB 4.32Å; L659-L737 HydrophobicContact CD2-CD1 3.99Å; L659-L737 HydrophobicContact CG-CD1 4.44Å; L659-L740 HydrophobicContact CD2-CD1 4.25Å |
| 660 | M | 84.7 | Confident | 84 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 176.8 | -68.2 | -159.4 | -31.6 | 0 | 0 | 112.3 | I656 S657 A662 I663 K664 L737 | I656-M660 HydrophobicContact CG2-CG 4.31Å; I656-M660 HydrophobicContact CG2-SD 4.44Å; I656-M660 WeakPolarHBondContact O-CG 3.37Å; I656-M660 PolarHBondContact O-N 3.04Å; S657-M660 PolarHBondContact O-N 3.33Å; M660-A662 VanDerWaalsContact C-N 3.33Å; M660-I663 PolarHBondContact O-N 3.05Å; M660-K664 VanDerWaalsContact O-CB 3.29Å; M660-K664 WeakPolarHBondContact O-CB 3.45Å; M660-K664 PolarHBondContact O-N 2.87Å; M660-L737 HydrophobicContact CG-CD1 4.15Å; M660-L737 HydrophobicContact CG-CD2 4.3Å |
| 661 | V | 75.5 | Confident | 83.4 | Confident | 101 Ų | 101 | 72 Ų | 72 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 173.7 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | S657 H658 L659 K664 A665 | S657-V661 VanDerWaalsContact O-CG2 3.28Å; S657-V661 WeakPolarHBondContact O-CG2 3.21Å; S657-V661 PolarHBondContact O-N 2.6Å; H658-V661 PolarHBondContact O-N 3.37Å; L659-V661 VanDerWaalsContact C-N 3.32Å; L659-V661 PolarHBondContact O-N 2.87Å; V661-K664 PolarHBondContact O-N 2.86Å; V661-A665 WeakPolarHBondContact O-CB 3.22Å; V661-A665 PolarHBondContact O-N 3.18Å |
| 662 | A | 77.1 | Confident | 83 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 2% | 0.017 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H658 L659 M660 A665 N666 L667 Q672 L675 | H658-A662 WeakPolarHBondContact O-CB 3.34Å; H658-A662 PolarHBondContact O-N 2.89Å; L659-A662 WeakPolarHBondContact O-CB 3.15Å; L659-A662 PolarHBondContact O-N 2.76Å; L659-A662 VanDerWaalsContact O-N 3.15Å; M660-A662 VanDerWaalsContact C-N 3.33Å; A662-A665 PolarHBondContact O-N 2.91Å; A662-N666 PolarHBondContact O-N 2.78Å; A662-L667 HydrophobicContact CB-CB 4.37Å; A662-L667 HydrophobicContact CB-CD1 3.8Å; A662-L667 HydrophobicContact CB-CG 4.33Å; A662-L667 PolarHBondContact O-N 2.9Å; A662-Q672 HydrophobicContact CB-CG 4.13Å; A662-L675 HydrophobicContact CB-CD1 3.59Å |
| 663 | I | 78.7 | Confident | 82.6 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63 | -50.3 | 175 | -67.3 | 164 | 0 | 0 | 0 | 109.8 | L659 M660 A665 N666 I733 L737 | L659-I663 HydrophobicContact CD1-CD1 4.24Å; L659-I663 HydrophobicContact CD1-CG1 4.36Å; L659-I663 HydrophobicContact CG-CD1 3.99Å; L659-I663 VanDerWaalsContact O-CG1 3.31Å; L659-I663 WeakPolarHBondContact O-CG1 3.48Å; L659-I663 PolarHBondContact O-N 3.05Å; M660-I663 PolarHBondContact O-N 3.05Å; I663-A665 PolarHBondContact O-N 3.45Å; I663-N666 PolarHBondContact O-N 2.95Å; I663-N666 PolarHBondContact O-OD1 2.69Å; I663-I733 HydrophobicContact CD1-CG2 3.89Å; I663-I733 HydrophobicContact CG1-CG2 4.26Å; I663-L737 HydrophobicContact CD1-CD2 4.01Å |
| 664 | K | 67.4 | Low | 82.4 | Confident | 170 Ų | 170 | 75.9 Ų | 75.9 | 74% | 0.739 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.3 | -32.2 | -179.7 | -170.7 | 176.6 | -179.4 | -179.1 | 0 | 112.5 | M660 V661 N666 | M660-K664 VanDerWaalsContact O-CB 3.29Å; M660-K664 WeakPolarHBondContact O-CB 3.45Å; M660-K664 PolarHBondContact O-N 2.87Å; V661-K664 PolarHBondContact O-N 2.86Å; K664-N666 VanDerWaalsContact C-N 3.25Å; K664-N666 PolarHBondContact O-N 3.43Å |
| 665 | A | 66.4 | Low | 82.3 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 51% | 0.512 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V661 A662 I663 L667 | V661-A665 WeakPolarHBondContact O-CB 3.22Å; V661-A665 PolarHBondContact O-N 3.18Å; A662-A665 PolarHBondContact O-N 2.91Å; I663-A665 PolarHBondContact O-N 3.45Å; A665-L667 HydrophobicContact CB-CD2 4.26Å; A665-L667 HydrophobicContact CB-CG 4.05Å; A665-L667 PolarHBondContact O-N 2.92Å |
| 666 | N | 72 | Confident | 82.3 | Confident | 141 Ų | 141 | 72 Ų | 72 | 75% | 0.754 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 40.4 | -175.5 | -73.6 | -39 | 0 | 0 | 0 | 112.9 | A662 I663 K664 | A662-N666 PolarHBondContact O-N 2.78Å; I663-N666 PolarHBondContact O-N 2.95Å; I663-N666 PolarHBondContact O-OD1 2.69Å; K664-N666 VanDerWaalsContact C-N 3.25Å; K664-N666 PolarHBondContact O-N 3.43Å |
| 667 | L | 77.8 | Confident | 82.2 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | trans | -62.2 | 156.7 | 175.3 | -64.6 | -173.6 | 0 | 0 | 0 | 110.3 | A662 A665 I669 T671 Q672 | A662-L667 HydrophobicContact CB-CB 4.37Å; A662-L667 HydrophobicContact CB-CD1 3.8Å; A662-L667 HydrophobicContact CB-CG 4.33Å; A662-L667 PolarHBondContact O-N 2.9Å; A665-L667 HydrophobicContact CB-CD2 4.26Å; A665-L667 HydrophobicContact CB-CG 4.05Å; A665-L667 PolarHBondContact O-N 2.92Å; L667-I669 PolarHBondContact O-N 3.37Å; L667-T671 HydrophobicContact CD1-CG2 4.43Å; L667-Q672 PolarHBondContact O-NE2 2.79Å | ||
| 668 | P | 81.8 | Confident | 82.4 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | trans | -49.3 | 137.6 | 177.5 | -27 | 34.9 | 0 | 0 | 0 | 111.8 | E670 T671 Q672 | P668-E670 PolarHBondContact O-N 3.18Å; P668-E670 VanDerWaalsContact O-N 3.09Å; P668-T671 WeakPolarHBondContact O-CA 3.12Å; P668-T671 WeakPolarHBondContact O-CB 3.31Å; P668-T671 PolarHBondContact O-N 3.27Å; P668-Q672 PolarHBondContact O-N 3.18Å; P668-Q672 VanDerWaalsContact O-N 3.15Å | ||
| 669 | I | 83.2 | Confident | 82.8 | Confident | 129 Ų | 129 | 71.5 Ų | 71.5 | 66% | 0.662 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -53.3 | -34.6 | -178.9 | -69.6 | 163.6 | 0 | 0 | 0 | 111.1 | L667 T671 Q672 A673 I733 | L667-I669 PolarHBondContact O-N 3.37Å; I669-T671 VanDerWaalsContact C-N 3.34Å; I669-T671 PolarHBondContact O-N 3.35Å; I669-Q672 PolarHBondContact O-N 2.81Å; I669-A673 VanDerWaalsContact O-CB 3.3Å; I669-A673 WeakPolarHBondContact O-CB 3.44Å; I669-A673 PolarHBondContact O-N 3.05Å; I669-I733 HydrophobicContact CG2-CD1 3.93Å |
| 670 | E | 85.8 | Confident | 83.2 | Confident | 164 Ų | 164 | 71.7 Ų | 71.7 | 77% | 0.766 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.3 | -42.5 | 174.5 | -62.3 | 171.6 | -173.2 | 0 | 0 | 112.6 | P668 Q674 | P668-E670 PolarHBondContact O-N 3.18Å; P668-E670 VanDerWaalsContact O-N 3.09Å; E670-Q674 WeakPolarHBondContact O-CB 3.4Å; E670-Q674 PolarHBondContact O-N 2.87Å |
| 671 | T | 83.7 | Confident | 83.7 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70 | -41.7 | 177 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | L667 P668 I669 Q674 L675 | L667-T671 HydrophobicContact CD1-CG2 4.43Å; P668-T671 WeakPolarHBondContact O-CA 3.12Å; P668-T671 WeakPolarHBondContact O-CB 3.31Å; P668-T671 PolarHBondContact O-N 3.27Å; I669-T671 VanDerWaalsContact C-N 3.34Å; I669-T671 PolarHBondContact O-N 3.35Å; T671-Q674 PolarHBondContact O-N 3.06Å; T671-L675 WeakPolarHBondContact O-CG 3.37Å; T671-L675 PolarHBondContact O-N 2.83Å |
| 672 | Q | 86 | Confident | 84.7 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 176.1 | -60.3 | -177.9 | 22 | 0 | 0 | 111 | L659 A662 L667 P668 I669 Q674 L675 A676 I733 | L659-Q672 HydrophobicContact CD1-CB 4.1Å; L659-Q672 VanDerWaalsContact CD1-O 3.32Å; L659-Q672 WeakPolarHBondContact CD1-O 3.28Å; A662-Q672 HydrophobicContact CB-CG 4.13Å; L667-Q672 PolarHBondContact O-NE2 2.79Å; P668-Q672 PolarHBondContact O-N 3.18Å; P668-Q672 VanDerWaalsContact O-N 3.15Å; I669-Q672 PolarHBondContact O-N 2.81Å; Q672-Q674 PolarHBondContact O-N 2.85Å; Q672-L675 PolarHBondContact O-N 2.85Å; Q672-A676 PolarHBondContact O-N 3.42Å; Q672-I733 HydrophobicContact CB-CD1 3.61Å |
| 673 | A | 86.9 | Confident | 85.6 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 28% | 0.281 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I669 L675 A676 I677 | I669-A673 VanDerWaalsContact O-CB 3.3Å; I669-A673 WeakPolarHBondContact O-CB 3.44Å; I669-A673 PolarHBondContact O-N 3.05Å; A673-L675 VanDerWaalsContact C-N 3.34Å; A673-L675 PolarHBondContact O-N 2.78Å; A673-A676 PolarHBondContact O-N 2.85Å; A673-I677 WeakPolarHBondContact O-CB 3.45Å; A673-I677 VanDerWaalsContact O-CG1 3.25Å; A673-I677 WeakPolarHBondContact O-CG1 3.13Å; A673-I677 PolarHBondContact O-N 2.97Å |
| 674 | Q | 89.7 | Confident | 86.5 | Confident | 139 Ų | 139 | 69 Ų | 69 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.6 | -40.3 | 176.3 | -172.6 | 179.1 | 3.4 | 0 | 0 | 112.3 | E670 T671 Q672 I677 S678 | E670-Q674 WeakPolarHBondContact O-CB 3.4Å; E670-Q674 PolarHBondContact O-N 2.87Å; T671-Q674 PolarHBondContact O-N 3.06Å; Q672-Q674 PolarHBondContact O-N 2.85Å; Q674-I677 PolarHBondContact O-N 3.47Å; Q674-S678 VanDerWaalsContact O-CB 3.31Å; Q674-S678 WeakPolarHBondContact O-CB 3.45Å; Q674-S678 PolarHBondContact O-N 2.79Å |
| 675 | L | 88.4 | Confident | 87.8 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175.5 | -71.5 | 171.5 | 0 | 0 | 0 | 112.2 | H658 L659 A662 T671 Q672 A673 S678 S679 | H658-L675 HydrophobicContact CB-CD2 4.47Å; L659-L675 HydrophobicContact CD1-CB 4.34Å; A662-L675 HydrophobicContact CB-CD1 3.59Å; T671-L675 WeakPolarHBondContact O-CG 3.37Å; T671-L675 PolarHBondContact O-N 2.83Å; Q672-L675 PolarHBondContact O-N 2.85Å; A673-L675 VanDerWaalsContact C-N 3.34Å; A673-L675 PolarHBondContact O-N 2.78Å; L675-S678 PolarHBondContact O-N 2.88Å; L675-S679 WeakPolarHBondContact O-CB 3.34Å; L675-S679 PolarHBondContact O-N 3.02Å; L675-S679 PolarHBondContact O-OG 2.78Å |
| 676 | A | 90.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L659 Q672 A673 S679 L680 | L659-A676 HydrophobicContact CD2-CB 4Å; Q672-A676 PolarHBondContact O-N 3.42Å; A673-A676 PolarHBondContact O-N 2.85Å; A676-S679 PolarHBondContact O-N 2.81Å; A676-L680 WeakPolarHBondContact O-CG 3.2Å; A676-L680 PolarHBondContact O-N 2.91Å |
| 677 | I | 91.5 | Very high | 90.1 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 177.2 | -68.1 | 165 | 0 | 0 | 0 | 110.8 | A673 Q674 S679 L680 D681 | A673-I677 WeakPolarHBondContact O-CB 3.45Å; A673-I677 VanDerWaalsContact O-CG1 3.25Å; A673-I677 WeakPolarHBondContact O-CG1 3.13Å; A673-I677 PolarHBondContact O-N 2.97Å; Q674-I677 PolarHBondContact O-N 3.47Å; I677-S679 VanDerWaalsContact C-N 3.3Å; I677-S679 PolarHBondContact O-N 3.22Å; I677-L680 PolarHBondContact O-N 2.86Å; I677-D681 WeakPolarHBondContact CG2-OD2 3.48Å; I677-D681 WeakPolarHBondContact O-CB 3.39Å; I677-D681 PolarHBondContact O-N 2.81Å |
| 678 | S | 91.4 | Very high | 90.8 | Very high | 70 Ų | 70 | 58 Ų | 58 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | Q674 L675 D681 E682 | Q674-S678 VanDerWaalsContact O-CB 3.31Å; Q674-S678 WeakPolarHBondContact O-CB 3.45Å; Q674-S678 PolarHBondContact O-N 2.79Å; L675-S678 PolarHBondContact O-N 2.88Å; S678-D681 PolarHBondContact O-N 2.85Å; S678-E682 WeakPolarHBondContact O-CB 3.15Å; S678-E682 PolarHBondContact O-N 3.45Å |
| 679 | S | 94.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | 178.5 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | G655 L675 A676 I677 F683 | G655-S679 VanDerWaalsContact CA-OG 3.3Å; G655-S679 WeakPolarHBondContact CA-OG 3.46Å; L675-S679 WeakPolarHBondContact O-CB 3.34Å; L675-S679 PolarHBondContact O-N 3.02Å; L675-S679 PolarHBondContact O-OG 2.78Å; A676-S679 PolarHBondContact O-N 2.81Å; I677-S679 VanDerWaalsContact C-N 3.3Å; I677-S679 PolarHBondContact O-N 3.22Å; S679-F683 WeakPolarHBondContact O-CB 3.27Å; S679-F683 PolarHBondContact O-N 2.94Å |
| 680 | L | 95.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 174.5 | -72.9 | 167 | 0 | 0 | 0 | 111.8 | A676 I677 F683 I684 A723 T726 R727 L740 Y743 | A676-L680 WeakPolarHBondContact O-CG 3.2Å; A676-L680 PolarHBondContact O-N 2.91Å; I677-L680 PolarHBondContact O-N 2.86Å; L680-F683 PolarHBondContact O-N 3.15Å; L680-I684 WeakPolarHBondContact O-CB 3.45Å; L680-I684 WeakPolarHBondContact O-CD1 3.34Å; L680-I684 WeakPolarHBondContact O-CG1 3.44Å; L680-I684 PolarHBondContact O-N 3.46Å; L680-A723 HydrophobicContact CD2-CB 4.33Å; L680-T726 HydrophobicContact CD1-CG2 4.31Å; L680-T726 HydrophobicContact CD2-CG2 4.29Å; L680-R727 HydrophobicContact CB-CB 4.5Å; L680-R727 HydrophobicContact CD1-CB 3.97Å; L680-R727 HydrophobicContact CD1-CG 4.33Å; L680-L740 HydrophobicContact CD2-CD2 3.72Å; L680-L740 HydrophobicContact CD2-CG 4.4Å; L680-L740 HydrophobicContact CG-CD2 4.06Å; L680-Y743 HydrophobicContact CD2-CE2 4.08Å |
| 681 | D | 95.5 | Very high | 92.2 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 178.7 | -79.3 | -26.3 | 0 | 0 | 0 | 111.7 | I677 S678 I684 M685 R727 | I677-D681 WeakPolarHBondContact CG2-OD2 3.48Å; I677-D681 WeakPolarHBondContact O-CB 3.39Å; I677-D681 PolarHBondContact O-N 2.81Å; S678-D681 PolarHBondContact O-N 2.85Å; D681-I684 PolarHBondContact O-N 2.82Å; D681-M685 WeakPolarHBondContact O-CB 3.03Å; D681-M685 PolarHBondContact O-N 2.84Å; D681-R727 WeakPolarHBondContact OD1-CD 3.24Å; D681-R727 IonicContact OD1-CZ 3.8Å; D681-R727 VanDerWaalsContact OD1-CZ 3.31Å; D681-R727 IonicContact OD1-NE 3.65Å; D681-R727 PolarHBondContact OD1-NE 2.95Å; D681-R727 IonicContact OD1-NH2 3.49Å; D681-R727 PolarHBondContact OD1-NH2 3.45Å; D681-R727 IonicContact OD2-CZ 2.67Å; D681-R727 IonicContact OD2-NE 2.73Å; D681-R727 IonicContact OD2-NH2 2.81Å; D681-R727 PolarHBondContact OD2-NH2 2.97Å |
| 682 | E | 95.5 | Very high | 92.6 | Very high | 80 Ų | 80 | 46 Ų | 46 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.8 | -172.6 | 168.8 | -139 | 0 | 0 | 111.1 | S678 I684 M685 D686 | S678-E682 WeakPolarHBondContact O-CB 3.15Å; S678-E682 PolarHBondContact O-N 3.45Å; E682-I684 PolarHBondContact O-N 2.82Å; E682-M685 WeakPolarHBondContact O-CB 3.18Å; E682-M685 PolarHBondContact O-N 3.08Å; E682-D686 WeakPolarHBondContact O-CB 3.45Å; E682-D686 PolarHBondContact O-N 2.74Å |
| 683 | F | 96.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.4 | -178.6 | -119.1 | 0 | 0 | 0 | 113.3 | I648 L652 S679 L680 M685 D686 C687 L719 A723 Y743 I747 | I648-F683 HydrophobicContact CG2-CD2 3.63Å; I648-F683 HydrophobicContact CG2-CE2 3.56Å; L652-F683 HydrophobicContact CD1-CD2 3.42Å; L652-F683 VanDerWaalsContact CD1-CD2 3.42Å; L652-F683 HydrophobicContact CD1-CE2 3.48Å; L652-F683 VanDerWaalsContact CD1-CE2 3.48Å; L652-F683 HydrophobicContact CD1-CG 4.1Å; L652-F683 HydrophobicContact CD1-CZ 4.19Å; L652-F683 HydrophobicContact CD2-CB 3.8Å; L652-F683 HydrophobicContact CD2-CD2 3.91Å; L652-F683 HydrophobicContact CD2-CG 3.82Å; L652-F683 HydrophobicContact CG-CB 4.32Å; L652-F683 HydrophobicContact CG-CD2 3.67Å; L652-F683 HydrophobicContact CG-CE2 4.25Å; L652-F683 HydrophobicContact CG-CG 4.11Å; S679-F683 WeakPolarHBondContact O-CB 3.27Å; S679-F683 PolarHBondContact O-N 2.94Å; L680-F683 PolarHBondContact O-N 3.15Å; F683-M685 VanDerWaalsContact C-N 3.29Å; F683-M685 PolarHBondContact O-N 3.45Å; F683-D686 WeakPolarHBondContact O-CB 3.06Å; F683-D686 PolarHBondContact O-N 3.5Å; F683-C687 PolarHBondContact O-N 2.86Å; F683-C687 PolarHBondContact O-SG 2.81Å; F683-C687 VanDerWaalsContact O-SG 3.33Å; F683-L719 HydrophobicContact CE1-CB 4.24Å; F683-L719 HydrophobicContact CZ-CB 4.03Å; F683-L719 HydrophobicContact CZ-CD1 4.36Å; F683-A723 HydrophobicContact CD1-CB 3.74Å; F683-A723 HydrophobicContact CE1-CB 4.01Å; F683-Y743 AromaticContact CD1-CD2 3.92Å; F683-Y743 HydrophobicContact CD1-CD2 3.92Å; F683-Y743 HydrophobicContact CD1-CG 4.43Å; F683-Y743 AromaticContact CE1-CD2 3.67Å; F683-Y743 HydrophobicContact CE1-CD2 3.67Å; F683-Y743 HydrophobicContact CE1-CE2 4.46Å; F683-Y743 AromaticContact CE1-CG 3.75Å; F683-Y743 HydrophobicContact CE1-CG 3.75Å; F683-Y743 HydrophobicContact CZ-CG 4.24Å; F683-I747 HydrophobicContact CE2-CD1 4.13Å; F683-I747 HydrophobicContact CE2-CG1 3.94Å; F683-I747 HydrophobicContact CZ-CD1 4.36Å; F683-I747 HydrophobicContact CZ-CG1 4.26Å |
| 684 | I | 96.1 | Very high | 93.1 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 175.8 | -71 | 161.7 | 0 | 0 | 0 | 110.5 | L680 D681 E682 N688 R720 A723 I724 | L680-I684 WeakPolarHBondContact O-CB 3.45Å; L680-I684 WeakPolarHBondContact O-CD1 3.34Å; L680-I684 WeakPolarHBondContact O-CG1 3.44Å; L680-I684 PolarHBondContact O-N 3.46Å; D681-I684 PolarHBondContact O-N 2.82Å; E682-I684 PolarHBondContact O-N 2.82Å; I684-N688 PolarHBondContact O-ND2 2.87Å; I684-R720 HydrophobicContact CG2-CG 4.29Å; I684-A723 HydrophobicContact CD1-CB 4.28Å; I684-A723 HydrophobicContact CG1-CB 3.72Å; I684-I724 HydrophobicContact CD1-CG1 3.86Å; I684-I724 HydrophobicContact CG1-CG1 4.15Å; I684-I724 HydrophobicContact CG2-CG1 4.23Å |
| 685 | M | 94.8 | Very high | 93.1 | Very high | 110 Ų | 110 | 53.8 Ų | 53.8 | 54% | 0.542 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.8 | -49.4 | 176 | -172.7 | -177.9 | 73.1 | 0 | 0 | 110.9 | D681 E682 F683 C687 N688 | D681-M685 WeakPolarHBondContact O-CB 3.03Å; D681-M685 PolarHBondContact O-N 2.84Å; E682-M685 WeakPolarHBondContact O-CB 3.18Å; E682-M685 PolarHBondContact O-N 3.08Å; F683-M685 VanDerWaalsContact C-N 3.29Å; F683-M685 PolarHBondContact O-N 3.45Å; M685-C687 VanDerWaalsContact C-N 3.29Å; M685-C687 PolarHBondContact O-N 3.17Å; M685-N688 WeakPolarHBondContact O-CB 3.47Å; M685-N688 PolarHBondContact O-N 3.46Å; M685-N688 PolarHBondContact O-ND2 3.37Å |
| 686 | D | 94.1 | Very high | 93 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54 | -41.4 | 178 | -88.4 | -0.6 | 0 | 0 | 0 | 112.3 | I648 H651 E682 F683 N688 H689 | I648-D686 HydrophobicContact CB-CB 4.42Å; I648-D686 HydrophobicContact CD1-CB 4.2Å; I648-D686 HydrophobicContact CG1-CB 3.85Å; I648-D686 HydrophobicContact CG2-CB 4Å; H651-D686 IonicContact CE1-OD2 3.84Å; H651-D686 IonicContact CG-OD2 2.8Å; H651-D686 IonicContact ND1-OD1 3.26Å; H651-D686 IonicContact ND1-OD2 2.78Å; H651-D686 PolarHBondContact ND1-OD2 3.01Å; E682-D686 WeakPolarHBondContact O-CB 3.45Å; E682-D686 PolarHBondContact O-N 2.74Å; F683-D686 WeakPolarHBondContact O-CB 3.06Å; F683-D686 PolarHBondContact O-N 3.5Å; D686-N688 PolarHBondContact O-N 3Å; D686-N688 VanDerWaalsContact O-N 3.14Å; D686-H689 WeakPolarHBondContact O-CB 3.44Å; D686-H689 PolarHBondContact O-CD2 3.32Å; D686-H689 PolarHBondContact O-N 3.13Å; D686-H689 VanDerWaalsContact O-N 3.11Å |
| 687 | C | 93.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.034 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.5 | 175.9 | -72.1 | 0 | 0 | 0 | 0 | 114.6 | F683 M685 R720 | F683-C687 PolarHBondContact O-N 2.86Å; F683-C687 PolarHBondContact O-SG 2.81Å; F683-C687 VanDerWaalsContact O-SG 3.33Å; M685-C687 VanDerWaalsContact C-N 3.29Å; M685-C687 PolarHBondContact O-N 3.17Å; C687-R720 HydrophobicContact CB-CB 3.84Å; C687-R720 HydrophobicContact CB-CG 4.24Å |
| 688 | N | 92.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7 | 175.8 | -58.3 | -63.3 | 0 | 0 | 0 | 113.4 | I684 M685 D686 T690 R720 | I684-N688 PolarHBondContact O-ND2 2.87Å; M685-N688 WeakPolarHBondContact O-CB 3.47Å; M685-N688 PolarHBondContact O-N 3.46Å; M685-N688 PolarHBondContact O-ND2 3.37Å; D686-N688 PolarHBondContact O-N 3Å; D686-N688 VanDerWaalsContact O-N 3.14Å; N688-T690 PolarHBondContact O-N 3.32Å; N688-R720 VanDerWaalsContact OD1-CD 3.29Å; N688-R720 WeakPolarHBondContact OD1-CD 3.42Å; N688-R720 PolarHBondContact OD1-NE 2.57Å |
| 689 | H | 91.8 | Very high | 92.7 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -66.5 | 127.1 | 176.6 | -74.6 | -107.2 | 0 | 0 | 0 | 109.9 | L644 D686 D789 | L644-H689 HydrophobicContact CD1-CB 3.81Å; L644-H689 HydrophobicContact CD2-CB 3.95Å; D686-H689 WeakPolarHBondContact O-CB 3.44Å; D686-H689 PolarHBondContact O-CD2 3.32Å; D686-H689 PolarHBondContact O-N 3.13Å; D686-H689 VanDerWaalsContact O-N 3.11Å; H689-D789 IonicContact CE1-OD1 2.9Å; H689-D789 IonicContact CE1-OD2 3.56Å; H689-D789 PolarHBondContact CE1-OD2 2.93Å; H689-D789 IonicContact CG-OD2 3.86Å; H689-D789 IonicContact ND1-OD1 3.95Å; H689-D789 IonicContact ND1-OD2 3.14Å; H689-D789 PolarHBondContact ND1-OD2 2.72Å |
| 690 | T | 92.2 | Very high | 92.5 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 136.2 | -177.9 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | N688 Y790 | N688-T690 PolarHBondContact O-N 3.32Å; T690-Y790 WeakPolarHBondContact O-CE1 3.36Å; T690-Y790 PolarHBondContact O-OH 3.12Å |
| 691 | L | 94.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 149.2 | 169.8 | -62 | 179.7 | 0 | 0 | 0 | 110.6 | A641 L644 Q693 R709 R712 E713 L716 | A641-L691 HydrophobicContact CB-CD2 4.14Å; L644-L691 HydrophobicContact CD2-CD2 4.16Å; L691-Q693 PolarHBondContact O-N 2.87Å; L691-R709 HydrophobicContact CD1-CG 4.16Å; L691-R712 HydrophobicContact CD1-CB 3.66Å; L691-E713 HydrophobicContact CD1-CG 3.8Å; L691-E713 HydrophobicContact CG-CG 4.41Å; L691-L716 HydrophobicContact CD2-CD1 4.32Å |
| 692 | P | 92.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 140.1 | 176.2 | -22.8 | 29.3 | 0 | 0 | 0 | 112.8 | F637 G640 A641 Y790 | F637-P692 HydrophobicContact CB-CB 4.28Å; G640-P692 VanDerWaalsContact C-CG 3.49Å; A641-P692 HydrophobicContact CB-CG 4.46Å; P692-Y790 HydrophobicContact CB-CD2 4.26Å; P692-Y790 HydrophobicContact CB-CE2 4.06Å; P692-Y790 HydrophobicContact CG-CD1 3.68Å; P692-Y790 HydrophobicContact CG-CD2 3.9Å; P692-Y790 HydrophobicContact CG-CE1 3.69Å; P692-Y790 HydrophobicContact CG-CE2 3.91Å; P692-Y790 HydrophobicContact CG-CG 3.81Å |
| 693 | Q | 90.6 | Very high | 92.1 | Very high | 148 Ų | 148 | 57.6 Ų | 57.6 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 147.7 | 173.7 | -65.4 | -168.7 | 2.1 | 0 | 0 | 110.9 | L691 | L691-Q693 PolarHBondContact O-N 2.87Š|
| 694 | W | 92 | Very high | 91.9 | Very high | 106 Ų | 106 | 57.4 Ų | 57.4 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 133.8 | 170.1 | 173.1 | 84.8 | 0 | 0 | 0 | 110.2 | I699 Q701 | W694-I699 PolarHBondContact NE1-O 2.97Å; W694-Q701 HydrophobicContact CG-CB 4.23Å |
| 695 | E | 89.5 | Confident | 91.9 | Very high | 100 Ų | 100 | 56.6 Ų | 56.6 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | trans | -112.8 | 152.1 | 177.7 | -59.8 | -174.4 | 168.1 | 0 | 0 | 111.7 | E697 N698 | E695-E697 PolarHBondContact O-N 2.74Å; E695-N698 WeakPolarHBondContact CB-OD1 3.14Å; E695-N698 PolarHBondContact N-OD1 3.35Å; E695-N698 WeakPolarHBondContact O-CB 3.4Å; E695-N698 PolarHBondContact O-N 2.85Å; E695-N698 PolarHBondContact O-OD1 2.92Å | ||
| 696 | P | 86.7 | Confident | 91.8 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 66% | 0.662 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.3 | 178.2 | -24.4 | 34 | 0 | 0 | 0 | 115.4 | R554 | R554-P696 PolarHBondContact NH1-O 3.41Š|
| 697 | E | 86 | Confident | 91.7 | Very high | 83 Ų | 83 | 57.3 Ų | 57.3 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -25.6 | 175.6 | -60.9 | -171.4 | 168.3 | 0 | 0 | 112.9 | R556 E695 | R556-E697 IonicContact CZ-OE2 2.97Å; R556-E697 IonicContact NH1-OE2 3.75Å; R556-E697 PolarHBondContact NH1-OE2 3.19Å; R556-E697 IonicContact NH2-OE2 2.67Å; R556-E697 PolarHBondContact NH2-OE2 3.4Å; E695-E697 PolarHBondContact O-N 2.74Å |
| 698 | N | 90.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -67.7 | 168.1 | 176.6 | -60.4 | 130.3 | 0 | 0 | 0 | 111.2 | D634 S636 F637 E695 | D634-N698 VanDerWaalsContact CG-ND2 3.28Å; D634-N698 WeakPolarHBondContact O-CB 3.25Å; D634-N698 PolarHBondContact O-ND2 3.11Å; D634-N698 PolarHBondContact OD1-ND2 2.85Å; S636-N698 PolarHBondContact OG-ND2 3.02Å; F637-N698 HydrophobicContact CD1-CB 4.13Å; F637-N698 HydrophobicContact CE1-CB 4.36Å; E695-N698 WeakPolarHBondContact CB-OD1 3.14Å; E695-N698 PolarHBondContact N-OD1 3.35Å; E695-N698 WeakPolarHBondContact O-CB 3.4Å; E695-N698 PolarHBondContact O-N 2.85Å; E695-N698 PolarHBondContact O-OD1 2.92Å |
| 699 | I | 91.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 152.4 | 165.4 | 61.6 | 166.9 | 0 | 0 | 0 | 110.7 | E633 D634 I635 F637 W694 Q701 | E633-I699 HydrophobicContact CB-CG2 3.6Å; D634-I699 PolarHBondContact O-N 3.28Å; I635-I699 HydrophobicContact CG2-CD1 3.41Å; I635-I699 VanDerWaalsContact CG2-CD1 3.41Å; I635-I699 HydrophobicContact CG2-CG1 3.88Å; F637-I699 HydrophobicContact CE1-CG1 4.37Å; W694-I699 PolarHBondContact NE1-O 2.97Å; I699-Q701 PolarHBondContact O-N 2.79Å |
| 700 | P | 90.6 | Very high | 91.5 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 133.1 | 177 | -23.4 | 33.2 | 0 | 0 | 0 | 111.7 | K551 N702 | K551-P700 HydrophobicContact CB-CG 3.61Å; K551-P700 HydrophobicContact CD-CG 4.45Å; P700-N702 PolarHBondContact O-N 3.34Å |
| 701 | Q | 91 | Very high | 91.4 | Very high | 74 Ų | 74 | 55.3 Ų | 55.3 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 129.9 | 172.6 | -168.5 | 179.7 | 13.4 | 0 | 0 | 109.6 | W694 I699 D705 I706 | W694-Q701 HydrophobicContact CG-CB 4.23Å; I699-Q701 PolarHBondContact O-N 2.79Å; Q701-D705 HydrophobicContact CG-CB 3.48Å; Q701-D705 VanDerWaalsContact CG-CB 3.48Å; Q701-I706 HydrophobicContact CG-CG1 4Å |
| 702 | N | 92.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | trans | -99.2 | 175.2 | 175.9 | 69.4 | 31.5 | 0 | 0 | 0 | 111.9 | G484 P485 R638 P700 M704 D705 I706 Q755 | G484-N702 WeakPolarHBondContact O-CB 3.43Å; G484-N702 PolarHBondContact O-ND2 2.95Å; P485-N702 PolarHBondContact O-ND2 3.01Å; R638-N702 PolarHBondContact NH2-ND2 3.37Å; P700-N702 PolarHBondContact O-N 3.34Å; N702-M704 VanDerWaalsContact C-N 3.31Å; N702-M704 PolarHBondContact O-N 3.48Å; N702-M704 WeakPolarHBondContact OD1-CB 3.32Å; N702-M704 PolarHBondContact OD1-N 3.23Å; N702-D705 VanDerWaalsContact CG-OD2 3.22Å; N702-D705 PolarHBondContact N-OD2 3Å; N702-D705 WeakPolarHBondContact O-CB 3.5Å; N702-D705 PolarHBondContact O-N 3.36Å; N702-D705 PolarHBondContact OD1-N 3.3Å; N702-D705 PolarHBondContact OD1-OD2 3.5Å; N702-D705 VanDerWaalsContact OD1-OD2 3.04Å; N702-I706 PolarHBondContact O-N 3.48Å; N702-Q755 PolarHBondContact ND2-OE1 3.39Å; N702-Q755 PolarHBondContact OD1-NE2 3.38Å; N702-Q755 VanDerWaalsContact OD1-NE2 3.16Å; N702-Q755 PolarHBondContact OD1-OE1 3.48Å | ||
| 703 | E | 92.3 | Very high | 91.3 | Very high | 108 Ų | 108 | 58 Ų | 58 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | -176.5 | -172 | 174.2 | 178.9 | 0 | 0 | 112.1 | T482 D705 I706 H707 | T482-E703 HydrophobicContact CG2-CB 4.01Å; T482-E703 HydrophobicContact CG2-CG 4.09Å; E703-D705 VanDerWaalsContact C-N 3.33Å; E703-D705 PolarHBondContact O-N 3.02Å; E703-I706 PolarHBondContact O-N 3.31Å; E703-H707 PolarHBondContact O-N 3.29Å; E703-H707 IonicContact OE1-CE1 3.9Å |
| 704 | M | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 176.6 | -177.3 | 56.6 | 179.8 | 0 | 0 | 112.4 | Q468 I469 F479 T482 N702 I706 H707 L708 P754 Q755 | Q468-M704 WeakPolarHBondContact O-CE 3.31Å; I469-M704 HydrophobicContact CB-CE 4.16Å; I469-M704 HydrophobicContact CG2-CE 4.15Å; F479-M704 HydrophobicContact CD2-SD 4.49Å; F479-M704 HydrophobicContact CE2-CE 4.2Å; F479-M704 HydrophobicContact CE2-SD 3.63Å; F479-M704 HydrophobicContact CZ-CE 4.41Å; F479-M704 HydrophobicContact CZ-SD 4.2Å; T482-M704 VanDerWaalsContact O-SD 3.33Å; N702-M704 VanDerWaalsContact C-N 3.31Å; N702-M704 PolarHBondContact O-N 3.48Å; N702-M704 WeakPolarHBondContact OD1-CB 3.32Å; N702-M704 PolarHBondContact OD1-N 3.23Å; M704-I706 VanDerWaalsContact C-N 3.33Å; M704-I706 PolarHBondContact O-N 2.93Å; M704-H707 PolarHBondContact O-N 3.15Å; M704-L708 HydrophobicContact CE-CD1 3.65Å; M704-L708 HydrophobicContact CE-CD2 3.6Å; M704-L708 HydrophobicContact CE-CG 3.45Å; M704-L708 VanDerWaalsContact CE-CG 3.45Å; M704-L708 HydrophobicContact CG-CD1 4.31Å; M704-L708 HydrophobicContact CG-CG 4.39Å; M704-L708 WeakPolarHBondContact O-CB 3.44Å; M704-L708 WeakPolarHBondContact O-CG 3.26Å; M704-L708 PolarHBondContact O-N 3.43Å; M704-L708 HydrophobicContact SD-CG 4.09Å; M704-P754 HydrophobicContact CE-CG 3.75Å; M704-Q755 HydrophobicContact CG-CG 4.26Å |
| 705 | D | 95 | Very high | 91.1 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.1 | -66.2 | -43.1 | 0 | 0 | 0 | 112.2 | F637 R638 Q701 N702 E703 R709 Q755 | F637-D705 HydrophobicContact CE2-CB 3.93Å; F637-D705 HydrophobicContact CZ-CB 4.41Å; F637-D705 WeakPolarHBondContact CZ-OD2 3.12Å; R638-D705 IonicContact CZ-OD1 3.19Å; R638-D705 IonicContact CZ-OD2 2.62Å; R638-D705 IonicContact NE-OD1 2.64Å; R638-D705 PolarHBondContact NE-OD1 3.47Å; R638-D705 IonicContact NE-OD2 3.79Å; R638-D705 IonicContact NH2-OD1 2.94Å; R638-D705 PolarHBondContact NH2-OD1 2.89Å; R638-D705 IonicContact NH2-OD2 3.61Å; R638-D705 PolarHBondContact NH2-OD2 3.28Å; Q701-D705 HydrophobicContact CG-CB 3.48Å; Q701-D705 VanDerWaalsContact CG-CB 3.48Å; N702-D705 VanDerWaalsContact CG-OD2 3.22Å; N702-D705 PolarHBondContact N-OD2 3Å; N702-D705 WeakPolarHBondContact O-CB 3.5Å; N702-D705 PolarHBondContact O-N 3.36Å; N702-D705 PolarHBondContact OD1-N 3.3Å; N702-D705 PolarHBondContact OD1-OD2 3.5Å; N702-D705 VanDerWaalsContact OD1-OD2 3.04Å; E703-D705 VanDerWaalsContact C-N 3.33Å; E703-D705 PolarHBondContact O-N 3.02Å; D705-R709 WeakPolarHBondContact O-CB 2.94Å; D705-R709 PolarHBondContact O-N 2.86Å; D705-Q755 PolarHBondContact OD1-NE2 3.44Å |
| 706 | I | 93.6 | Very high | 91.3 | Very high | 88 Ų | 88 | 44.6 Ų | 44.6 | 45% | 0.451 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.6 | -47.1 | 177.9 | -62.5 | 168.1 | 0 | 0 | 0 | 109.5 | Q701 N702 E703 M704 R709 K710 | Q701-I706 HydrophobicContact CG-CG1 4Å; N702-I706 PolarHBondContact O-N 3.48Å; E703-I706 PolarHBondContact O-N 3.31Å; M704-I706 VanDerWaalsContact C-N 3.33Å; M704-I706 PolarHBondContact O-N 2.93Å; I706-R709 PolarHBondContact O-N 2.83Å; I706-K710 PolarHBondContact O-N 3.18Å; I706-K710 VanDerWaalsContact O-N 3.11Å |
| 707 | H | 91.5 | Very high | 91.5 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.218 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -47.1 | 180 | -68.2 | 163.7 | 0 | 0 | 0 | 112.8 | F479 E703 M704 R709 K710 L711 | F479-H707 HydrophobicContact CB-CB 4.47Å; F479-H707 VanDerWaalsContact CB-ND1 3.31Å; F479-H707 WeakPolarHBondContact CB-ND1 3.48Å; F479-H707 HydrophobicContact CD1-CB 3.66Å; F479-H707 AromaticContact CD1-CG 3.93Å; F479-H707 HydrophobicContact CD2-CB 3.98Å; F479-H707 AromaticContact CD2-ND1 3.53Å; F479-H707 HydrophobicContact CE1-CB 3.75Å; F479-H707 HydrophobicContact CE2-CB 4.06Å; F479-H707 HydrophobicContact CG-CB 3.79Å; F479-H707 AromaticContact CG-CG 3.67Å; F479-H707 AromaticContact CG-ND1 3.4Å; F479-H707 WeakPolarHBondContact CG-ND1 3.46Å; F479-H707 HydrophobicContact CZ-CB 3.96Å; E703-H707 PolarHBondContact O-N 3.29Å; E703-H707 IonicContact OE1-CE1 3.9Å; M704-H707 PolarHBondContact O-N 3.15Å; H707-R709 PolarHBondContact O-N 3.09Å; H707-K710 PolarHBondContact O-N 3.35Å; H707-L711 VanDerWaalsContact O-CB 3.31Å; H707-L711 WeakPolarHBondContact O-CB 3.41Å; H707-L711 PolarHBondContact O-N 2.77Å |
| 708 | L | 91.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 177.2 | -78.8 | -178.2 | 0 | 0 | 0 | 112.6 | M704 L711 R712 P754 | M704-L708 HydrophobicContact CE-CD1 3.65Å; M704-L708 HydrophobicContact CE-CD2 3.6Å; M704-L708 HydrophobicContact CE-CG 3.45Å; M704-L708 VanDerWaalsContact CE-CG 3.45Å; M704-L708 HydrophobicContact CG-CD1 4.31Å; M704-L708 HydrophobicContact CG-CG 4.39Å; M704-L708 WeakPolarHBondContact O-CB 3.44Å; M704-L708 WeakPolarHBondContact O-CG 3.26Å; M704-L708 PolarHBondContact O-N 3.43Å; M704-L708 HydrophobicContact SD-CG 4.09Å; L708-L711 HydrophobicContact CD2-CD2 4.37Å; L708-L711 PolarHBondContact O-N 3.28Å; L708-R712 WeakPolarHBondContact O-CB 3.41Å; L708-R712 VanDerWaalsContact O-CG 3.3Å; L708-R712 WeakPolarHBondContact O-CG 3.41Å; L708-R712 PolarHBondContact O-N 3.44Å; L708-P754 HydrophobicContact CD1-CG 4.36Å |
| 709 | R | 93 | Very high | 91.7 | Very high | 81 Ų | 81 | 42.4 Ų | 42.4 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.1 | -49.8 | 178.2 | -175 | 174.8 | -174.9 | -69.3 | -13.7 | 110.7 | L691 D705 I706 H707 L711 R712 E713 | L691-R709 HydrophobicContact CD1-CG 4.16Å; D705-R709 WeakPolarHBondContact O-CB 2.94Å; D705-R709 PolarHBondContact O-N 2.86Å; I706-R709 PolarHBondContact O-N 2.83Å; H707-R709 PolarHBondContact O-N 3.09Å; R709-L711 PolarHBondContact O-N 3.38Å; R709-R712 PolarHBondContact O-N 3.18Å; R709-E713 IonicContact CZ-OE1 3.93Å; R709-E713 IonicContact CZ-OE2 2.71Å; R709-E713 IonicContact NE-OE1 3.56Å; R709-E713 IonicContact NH1-OE1 2.67Å; R709-E713 PolarHBondContact NH1-OE1 3.36Å; R709-E713 IonicContact NH1-OE2 2.88Å; R709-E713 PolarHBondContact NH1-OE2 3.03Å; R709-E713 VanDerWaalsContact NH1-OE2 3.09Å; R709-E713 IonicContact NH2-OE1 3.64Å; R709-E713 PolarHBondContact NH2-OE1 2.85Å; R709-E713 WeakPolarHBondContact O-CG 3.36Å; R709-E713 PolarHBondContact O-N 2.8Å |
| 710 | K | 91.1 | Very high | 91.8 | Very high | 85 Ų | 85 | 45.1 Ų | 45.1 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 176.3 | -176.7 | 176.8 | 177 | -178.4 | 0 | 111.4 | D477 I706 H707 R712 E713 D714 | D477-K710 VanDerWaalsContact CG-NZ 3.25Å; D477-K710 WeakPolarHBondContact OD1-CE 3.32Å; D477-K710 IonicContact OD1-NZ 2.6Å; D477-K710 PolarHBondContact OD1-NZ 3.01Å; D477-K710 IonicContact OD2-NZ 2.87Å; I706-K710 PolarHBondContact O-N 3.18Å; I706-K710 VanDerWaalsContact O-N 3.11Å; H707-K710 PolarHBondContact O-N 3.35Å; K710-R712 PolarHBondContact O-N 3.01Å; K710-E713 PolarHBondContact O-N 2.93Å; K710-D714 WeakPolarHBondContact O-CB 3.28Å; K710-D714 VanDerWaalsContact O-CG 3.23Å; K710-D714 PolarHBondContact O-N 3.25Å |
| 711 | L | 89 | Confident | 91.9 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.1 | -47.5 | 177.3 | 178 | 66.1 | 0 | 0 | 0 | 112.3 | R473 H707 L708 R709 Q715 | R473-L711 VanDerWaalsContact CZ-CD1 3.42Å; H707-L711 VanDerWaalsContact O-CB 3.31Å; H707-L711 WeakPolarHBondContact O-CB 3.41Å; H707-L711 PolarHBondContact O-N 2.77Å; L708-L711 HydrophobicContact CD2-CD2 4.37Å; L708-L711 PolarHBondContact O-N 3.28Å; R709-L711 PolarHBondContact O-N 3.38Å; L711-Q715 HydrophobicContact CD1-CG 4.28Å; L711-Q715 WeakPolarHBondContact O-CB 3.17Å; L711-Q715 VanDerWaalsContact O-CG 3.27Å; L711-Q715 WeakPolarHBondContact O-CG 3.28Å; L711-Q715 PolarHBondContact O-N 2.99Å |
| 712 | R | 92.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 4% | 0.038 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 179.2 | -73.8 | 171.1 | 174.9 | 150.6 | 4.9 | 111.4 | L645 L691 L708 R709 K710 Q715 L716 L750 I752 E753 | L645-R712 HydrophobicContact CD1-CG 4.16Å; L691-R712 HydrophobicContact CD1-CB 3.66Å; L708-R712 WeakPolarHBondContact O-CB 3.41Å; L708-R712 VanDerWaalsContact O-CG 3.3Å; L708-R712 WeakPolarHBondContact O-CG 3.41Å; L708-R712 PolarHBondContact O-N 3.44Å; R709-R712 PolarHBondContact O-N 3.18Å; K710-R712 PolarHBondContact O-N 3.01Å; R712-Q715 PolarHBondContact O-N 2.79Å; R712-L716 WeakPolarHBondContact O-CB 3.34Å; R712-L716 VanDerWaalsContact O-CG 3.3Å; R712-L716 WeakPolarHBondContact O-CG 3.24Å; R712-L716 PolarHBondContact O-N 3.44Å; R712-L750 PolarHBondContact NE-O 3.45Å; R712-L750 VanDerWaalsContact NE-O 3.09Å; R712-I752 PolarHBondContact NH2-O 3.39Å; R712-I752 VanDerWaalsContact NH2-O 3.14Å; R712-E753 IonicContact CZ-OE2 3.1Å; R712-E753 IonicContact NH1-OE2 3.36Å; R712-E753 PolarHBondContact NH1-OE2 3.19Å; R712-E753 IonicContact NH2-OE2 3.46Å; R712-E753 PolarHBondContact NH2-OE2 3.5Å |
| 713 | E | 93 | Very high | 91.8 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.6 | -48 | 176.6 | -72.8 | 176.3 | 153.4 | 0 | 0 | 111.6 | L691 R709 K710 Q715 L716 N717 | L691-E713 HydrophobicContact CD1-CG 3.8Å; L691-E713 HydrophobicContact CG-CG 4.41Å; R709-E713 IonicContact CZ-OE1 3.93Å; R709-E713 IonicContact CZ-OE2 2.71Å; R709-E713 IonicContact NE-OE1 3.56Å; R709-E713 IonicContact NH1-OE1 2.67Å; R709-E713 PolarHBondContact NH1-OE1 3.36Å; R709-E713 IonicContact NH1-OE2 2.88Å; R709-E713 PolarHBondContact NH1-OE2 3.03Å; R709-E713 VanDerWaalsContact NH1-OE2 3.09Å; R709-E713 IonicContact NH2-OE1 3.64Å; R709-E713 PolarHBondContact NH2-OE1 2.85Å; R709-E713 WeakPolarHBondContact O-CG 3.36Å; R709-E713 PolarHBondContact O-N 2.8Å; K710-E713 PolarHBondContact O-N 2.93Å; E713-Q715 PolarHBondContact O-N 2.61Å; E713-L716 PolarHBondContact O-N 3.39Å; E713-N717 WeakPolarHBondContact O-CB 3.5Å; E713-N717 PolarHBondContact O-N 2.72Å; E713-N717 PolarHBondContact O-ND2 3.34Å; E713-N717 VanDerWaalsContact O-ND2 3.15Å |
| 714 | D | 88.8 | Confident | 91.9 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -40.5 | -179.9 | -67.4 | -21.8 | 0 | 0 | 0 | 112.1 | K710 T718 | K710-D714 WeakPolarHBondContact O-CB 3.28Å; K710-D714 VanDerWaalsContact O-CG 3.23Å; K710-D714 PolarHBondContact O-N 3.25Å; D714-T718 WeakPolarHBondContact O-CB 3.49Å; D714-T718 PolarHBondContact O-N 3.01Å; D714-T718 PolarHBondContact O-OG1 3.24Å |
| 715 | Q | 88.4 | Confident | 91.7 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.3 | -38.7 | 178.8 | -69.9 | -59.2 | -77.8 | 0 | 0 | 113 | L711 R712 E713 N717 T718 L719 L750 | L711-Q715 HydrophobicContact CD1-CG 4.28Å; L711-Q715 WeakPolarHBondContact O-CB 3.17Å; L711-Q715 VanDerWaalsContact O-CG 3.27Å; L711-Q715 WeakPolarHBondContact O-CG 3.28Å; L711-Q715 PolarHBondContact O-N 2.99Å; R712-Q715 PolarHBondContact O-N 2.79Å; E713-Q715 PolarHBondContact O-N 2.61Å; Q715-N717 VanDerWaalsContact C-N 3.34Å; Q715-T718 PolarHBondContact O-N 2.86Å; Q715-L719 WeakPolarHBondContact O-CB 3.47Å; Q715-L719 WeakPolarHBondContact O-CG 3.2Å; Q715-L719 PolarHBondContact O-N 3.5Å; Q715-L750 HydrophobicContact CB-CD1 3.68Å; Q715-L750 HydrophobicContact CB-CD2 4.05Å; Q715-L750 HydrophobicContact CB-CG 4.49Å; Q715-L750 HydrophobicContact CG-CD1 4.49Å; Q715-L750 HydrophobicContact CG-CD2 4.06Å |
| 716 | L | 93.5 | Very high | 91.4 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 173.5 | -75.5 | 170.9 | 0 | 0 | 0 | 111.3 | L645 I648 L691 R712 E713 T718 L719 R720 I747 | L645-L716 HydrophobicContact CD2-CD1 4.15Å; L645-L716 HydrophobicContact CD2-CD2 3.98Å; L645-L716 HydrophobicContact CD2-CG 4.32Å; I648-L716 HydrophobicContact CD1-CD2 4.28Å; L691-L716 HydrophobicContact CD2-CD1 4.32Å; R712-L716 WeakPolarHBondContact O-CB 3.34Å; R712-L716 VanDerWaalsContact O-CG 3.3Å; R712-L716 WeakPolarHBondContact O-CG 3.24Å; R712-L716 PolarHBondContact O-N 3.44Å; E713-L716 PolarHBondContact O-N 3.39Å; L716-T718 VanDerWaalsContact C-N 3.35Å; L716-T718 PolarHBondContact O-N 3.25Å; L716-L719 PolarHBondContact O-N 2.98Å; L716-R720 WeakPolarHBondContact O-CB 3.27Å; L716-R720 PolarHBondContact O-N 2.86Å; L716-I747 HydrophobicContact CD2-CD1 3.63Å |
| 717 | N | 92.5 | Very high | 91.2 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 47% | 0.471 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.4 | -73.8 | -33.5 | 0 | 0 | 0 | 112 | E713 Q715 R720 E721 | E713-N717 WeakPolarHBondContact O-CB 3.5Å; E713-N717 PolarHBondContact O-N 2.72Å; E713-N717 PolarHBondContact O-ND2 3.34Å; E713-N717 VanDerWaalsContact O-ND2 3.15Å; Q715-N717 VanDerWaalsContact C-N 3.34Å; N717-R720 WeakPolarHBondContact O-CB 3.48Å; N717-R720 PolarHBondContact O-N 3.45Å; N717-E721 WeakPolarHBondContact O-CG 3.35Å; N717-E721 PolarHBondContact O-N 3.49Å; N717-E721 VanDerWaalsContact O-N 3.11Å |
| 718 | T | 88.4 | Confident | 91.1 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | D714 Q715 L716 R720 E721 Q722 | D714-T718 WeakPolarHBondContact O-CB 3.49Å; D714-T718 PolarHBondContact O-N 3.01Å; D714-T718 PolarHBondContact O-OG1 3.24Å; Q715-T718 PolarHBondContact O-N 2.86Å; L716-T718 VanDerWaalsContact C-N 3.35Å; L716-T718 PolarHBondContact O-N 3.25Å; T718-R720 VanDerWaalsContact C-N 3.3Å; T718-R720 PolarHBondContact O-N 3.44Å; T718-E721 PolarHBondContact O-N 2.97Å; T718-Q722 VanDerWaalsContact O-CG 3.32Å; T718-Q722 WeakPolarHBondContact O-CG 3.45Å; T718-Q722 PolarHBondContact O-N 3.36Å |
| 719 | L | 91.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 178.5 | -74.5 | 171 | 0 | 0 | 0 | 111.8 | F683 Q715 L716 Q722 A723 Y743 T746 I747 L750 | F683-L719 HydrophobicContact CE1-CB 4.24Å; F683-L719 HydrophobicContact CZ-CB 4.03Å; F683-L719 HydrophobicContact CZ-CD1 4.36Å; Q715-L719 WeakPolarHBondContact O-CB 3.47Å; Q715-L719 WeakPolarHBondContact O-CG 3.2Å; Q715-L719 PolarHBondContact O-N 3.5Å; L716-L719 PolarHBondContact O-N 2.98Å; L719-Q722 PolarHBondContact O-N 2.9Å; L719-A723 VanDerWaalsContact O-CB 3.32Å; L719-A723 WeakPolarHBondContact O-CB 3.39Å; L719-A723 PolarHBondContact O-N 3.47Å; L719-Y743 HydrophobicContact CD2-CD1 3.72Å; L719-Y743 HydrophobicContact CD2-CE1 4.38Å; L719-Y743 HydrophobicContact CD2-CG 4.45Å; L719-T746 HydrophobicContact CD1-CG2 3.91Å; L719-T746 HydrophobicContact CD2-CG2 4.16Å; L719-T746 HydrophobicContact CG-CG2 4.43Å; L719-I747 HydrophobicContact CD1-CD1 3.61Å; L719-I747 HydrophobicContact CD1-CG1 4.13Å; L719-L750 HydrophobicContact CD1-CD1 4.45Å |
| 720 | R | 94.4 | Very high | 90 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -49.6 | 174.7 | -177 | -178.8 | 161.1 | -72.6 | -7.8 | 111.8 | I684 C687 N688 L716 N717 T718 Q722 A723 I724 | I684-R720 HydrophobicContact CG2-CG 4.29Å; C687-R720 HydrophobicContact CB-CB 3.84Å; C687-R720 HydrophobicContact CB-CG 4.24Å; N688-R720 VanDerWaalsContact OD1-CD 3.29Å; N688-R720 WeakPolarHBondContact OD1-CD 3.42Å; N688-R720 PolarHBondContact OD1-NE 2.57Å; L716-R720 WeakPolarHBondContact O-CB 3.27Å; L716-R720 PolarHBondContact O-N 2.86Å; N717-R720 WeakPolarHBondContact O-CB 3.48Å; N717-R720 PolarHBondContact O-N 3.45Å; T718-R720 VanDerWaalsContact C-N 3.3Å; T718-R720 PolarHBondContact O-N 3.44Å; R720-Q722 VanDerWaalsContact C-N 3.31Å; R720-Q722 PolarHBondContact O-N 3.35Å; R720-A723 PolarHBondContact O-N 3.43Å; R720-I724 HydrophobicContact CG-CD1 4.23Å; R720-I724 WeakPolarHBondContact O-CG1 3.25Å; R720-I724 PolarHBondContact O-N 2.95Å |
| 721 | E | 92.3 | Very high | 89.4 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 177.2 | -66.3 | -61.1 | 138.8 | 0 | 0 | 111.6 | N717 T718 I724 N725 | N717-E721 WeakPolarHBondContact O-CG 3.35Å; N717-E721 PolarHBondContact O-N 3.49Å; N717-E721 VanDerWaalsContact O-N 3.11Å; T718-E721 PolarHBondContact O-N 2.97Å; E721-I724 PolarHBondContact O-N 3.45Å; E721-N725 WeakPolarHBondContact O-CB 3.31Å; E721-N725 PolarHBondContact O-N 3.49Å |
| 722 | Q | 89.4 | Confident | 89.2 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 173.2 | -73.1 | 178.4 | -6.5 | 0 | 0 | 112 | N219 T718 L719 R720 N725 T726 Y743 | N219-Q722 PolarHBondContact ND2-OE1 3.46Å; T718-Q722 VanDerWaalsContact O-CG 3.32Å; T718-Q722 WeakPolarHBondContact O-CG 3.45Å; T718-Q722 PolarHBondContact O-N 3.36Å; L719-Q722 PolarHBondContact O-N 2.9Å; R720-Q722 VanDerWaalsContact C-N 3.31Å; R720-Q722 PolarHBondContact O-N 3.35Å; Q722-N725 PolarHBondContact O-N 3Å; Q722-T726 WeakPolarHBondContact O-CB 3.4Å; Q722-T726 PolarHBondContact O-N 3.28Å; Q722-T726 PolarHBondContact O-OG1 2.99Å; Q722-Y743 HydrophobicContact CB-CE1 4.13Å; Q722-Y743 PolarHBondContact O-OH 2.92Å |
| 723 | A | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L680 F683 I684 L719 R720 T726 R727 Y743 | L680-A723 HydrophobicContact CD2-CB 4.33Å; F683-A723 HydrophobicContact CD1-CB 3.74Å; F683-A723 HydrophobicContact CE1-CB 4.01Å; I684-A723 HydrophobicContact CD1-CB 4.28Å; I684-A723 HydrophobicContact CG1-CB 3.72Å; L719-A723 VanDerWaalsContact O-CB 3.32Å; L719-A723 WeakPolarHBondContact O-CB 3.39Å; L719-A723 PolarHBondContact O-N 3.47Å; R720-A723 PolarHBondContact O-N 3.43Å; A723-T726 PolarHBondContact O-N 3.18Å; A723-R727 VanDerWaalsContact O-CB 3.27Å; A723-R727 WeakPolarHBondContact O-CB 3.43Å; A723-R727 PolarHBondContact O-N 2.9Å; A723-Y743 HydrophobicContact CB-CE2 4Å |
| 724 | I | 94.1 | Very high | 88.4 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 21% | 0.205 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | 172.3 | -68.1 | 165.7 | 0 | 0 | 0 | 109.9 | I684 R720 E721 T726 R727 E728 | I684-I724 HydrophobicContact CD1-CG1 3.86Å; I684-I724 HydrophobicContact CG1-CG1 4.15Å; I684-I724 HydrophobicContact CG2-CG1 4.23Å; R720-I724 HydrophobicContact CG-CD1 4.23Å; R720-I724 WeakPolarHBondContact O-CG1 3.25Å; R720-I724 PolarHBondContact O-N 2.95Å; E721-I724 PolarHBondContact O-N 3.45Å; I724-T726 PolarHBondContact O-N 3.29Å; I724-R727 WeakPolarHBondContact O-CB 3.32Å; I724-R727 PolarHBondContact O-N 3.45Å; I724-E728 WeakPolarHBondContact O-CG 3.43Å; I724-E728 PolarHBondContact O-N 2.97Å |
| 725 | N | 90.1 | Very high | 88.2 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 178.3 | 179 | 77.7 | 0 | 0 | 0 | 112.1 | E721 Q722 R727 E728 T729 | E721-N725 WeakPolarHBondContact O-CB 3.31Å; E721-N725 PolarHBondContact O-N 3.49Å; Q722-N725 PolarHBondContact O-N 3Å; N725-R727 VanDerWaalsContact C-N 3.31Å; N725-R727 PolarHBondContact O-N 3.13Å; N725-E728 PolarHBondContact O-N 3.48Å; N725-E728 VanDerWaalsContact O-N 3.16Å; N725-T729 PolarHBondContact ND2-OG1 3.08Å; N725-T729 WeakPolarHBondContact O-CB 3.36Å; N725-T729 WeakPolarHBondContact O-CG2 3.49Å; N725-T729 PolarHBondContact O-N 3.45Å; N725-T729 PolarHBondContact O-OG1 3.03Å; N725-T729 WeakPolarHBondContact OD1-CG2 3.45Å |
| 726 | T | 87.7 | Confident | 88.1 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 177.3 | -68.4 | 0 | 0 | 0 | 0 | 111.2 | L680 Q722 A723 I724 E728 T729 V730 E739 Y743 | L680-T726 HydrophobicContact CD1-CG2 4.31Å; L680-T726 HydrophobicContact CD2-CG2 4.29Å; Q722-T726 WeakPolarHBondContact O-CB 3.4Å; Q722-T726 PolarHBondContact O-N 3.28Å; Q722-T726 PolarHBondContact O-OG1 2.99Å; A723-T726 PolarHBondContact O-N 3.18Å; I724-T726 PolarHBondContact O-N 3.29Å; T726-E728 VanDerWaalsContact C-N 3.28Å; T726-E728 PolarHBondContact O-N 3.41Å; T726-T729 PolarHBondContact O-N 3.1Å; T726-V730 HydrophobicContact CG2-CB 4.35Å; T726-V730 HydrophobicContact CG2-CG2 3.88Å; T726-V730 VanDerWaalsContact O-CB 3.31Å; T726-V730 WeakPolarHBondContact O-CB 3.3Å; T726-V730 PolarHBondContact O-N 3.37Å; T726-E739 HydrophobicContact CG2-CB 3.97Å; T726-E739 HydrophobicContact CG2-CG 4.24Å; T726-Y743 WeakPolarHBondContact CB-OH 3.48Å; T726-Y743 PolarHBondContact OG1-OH 3.41Å |
| 727 | R | 89.6 | Confident | 87.8 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -34.9 | 175.9 | -171.5 | -172.1 | -176.4 | -79.7 | 3.8 | 113.1 | L680 D681 A723 I724 N725 | L680-R727 HydrophobicContact CB-CB 4.5Å; L680-R727 HydrophobicContact CD1-CB 3.97Å; L680-R727 HydrophobicContact CD1-CG 4.33Å; D681-R727 WeakPolarHBondContact OD1-CD 3.24Å; D681-R727 IonicContact OD1-CZ 3.8Å; D681-R727 VanDerWaalsContact OD1-CZ 3.31Å; D681-R727 IonicContact OD1-NE 3.65Å; D681-R727 PolarHBondContact OD1-NE 2.95Å; D681-R727 IonicContact OD1-NH2 3.49Å; D681-R727 PolarHBondContact OD1-NH2 3.45Å; D681-R727 IonicContact OD2-CZ 2.67Å; D681-R727 IonicContact OD2-NE 2.73Å; D681-R727 IonicContact OD2-NH2 2.81Å; D681-R727 PolarHBondContact OD2-NH2 2.97Å; A723-R727 VanDerWaalsContact O-CB 3.27Å; A723-R727 WeakPolarHBondContact O-CB 3.43Å; A723-R727 PolarHBondContact O-N 2.9Å; I724-R727 WeakPolarHBondContact O-CB 3.32Å; I724-R727 PolarHBondContact O-N 3.45Å; N725-R727 VanDerWaalsContact C-N 3.31Å; N725-R727 PolarHBondContact O-N 3.13Å |
| 728 | E | 89 | Confident | 87.5 | Confident | 147 Ų | 147 | 67.6 Ų | 67.6 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -87.2 | -29 | -178.5 | -70.3 | -178.2 | 174.8 | 0 | 0 | 114 | I724 N725 T726 | I724-E728 WeakPolarHBondContact O-CG 3.43Å; I724-E728 PolarHBondContact O-N 2.97Å; N725-E728 PolarHBondContact O-N 3.48Å; N725-E728 VanDerWaalsContact O-N 3.16Å; T726-E728 VanDerWaalsContact C-N 3.28Å; T726-E728 PolarHBondContact O-N 3.41Å |
| 729 | T | 82.5 | Confident | 87.5 | Confident | 84 Ų | 84 | 67.1 Ų | 67.1 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -110.4 | -27.9 | -167.9 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | N725 T726 S731 | N725-T729 PolarHBondContact ND2-OG1 3.08Å; N725-T729 WeakPolarHBondContact O-CB 3.36Å; N725-T729 WeakPolarHBondContact O-CG2 3.49Å; N725-T729 PolarHBondContact O-N 3.45Å; N725-T729 PolarHBondContact O-OG1 3.03Å; N725-T729 WeakPolarHBondContact OD1-CG2 3.45Å; T726-T729 PolarHBondContact O-N 3.1Å; T729-S731 PolarHBondContact O-N 3.43Å |
| 730 | V | 79.7 | Confident | 87.4 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 30% | 0.297 | 34% | 0.34 | S | S | . | . | trans | -81.7 | 119.7 | -174.2 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | T726 E732 D735 A736 | T726-V730 HydrophobicContact CG2-CB 4.35Å; T726-V730 HydrophobicContact CG2-CG2 3.88Å; T726-V730 VanDerWaalsContact O-CB 3.31Å; T726-V730 WeakPolarHBondContact O-CB 3.3Å; T726-V730 PolarHBondContact O-N 3.37Å; V730-E732 VanDerWaalsContact CG1-O 3.24Å; V730-E732 WeakPolarHBondContact CG1-O 3.3Å; V730-D735 HydrophobicContact CG1-CB 3.59Å; V730-A736 HydrophobicContact CG1-CB 4.04Å | ||
| 731 | S | 78.8 | Confident | 87.3 | Confident | 116 Ų | 116 | 68.5 Ų | 68.5 | 81% | 0.811 | 35% | 0.348 | S | S | * | . | trans | -94.8 | -24.1 | -179.8 | 54 | 0 | 0 | 0 | 0 | 114.2 | T729 | T729-S731 PolarHBondContact O-N 3.43Š| ||
| 732 | E | 84.3 | Confident | 86.9 | Confident | 121 Ų | 121 | 63.7 Ų | 63.7 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -102.5 | 139.1 | -177.4 | -62.8 | -163.3 | 175.8 | 0 | 0 | 111.9 | V730 D734 D735 A736 | V730-E732 VanDerWaalsContact CG1-O 3.24Å; V730-E732 WeakPolarHBondContact CG1-O 3.3Å; E732-D734 PolarHBondContact O-N 2.88Å; E732-D735 PolarHBondContact O-N 3.37Å; E732-A736 PolarHBondContact O-N 3.25Å |
| 733 | I | 85.6 | Confident | 87.1 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.6 | -35.9 | -175 | -67.9 | 163.8 | 0 | 0 | 0 | 111.6 | L659 I663 I669 Q672 D735 A736 L737 | L659-I733 HydrophobicContact CD1-CG2 4.15Å; I663-I733 HydrophobicContact CD1-CG2 3.89Å; I663-I733 HydrophobicContact CG1-CG2 4.26Å; I669-I733 HydrophobicContact CG2-CD1 3.93Å; Q672-I733 HydrophobicContact CB-CD1 3.61Å; I733-D735 VanDerWaalsContact C-N 3.32Å; I733-D735 PolarHBondContact O-N 3.09Å; I733-A736 PolarHBondContact O-N 2.93Å; I733-L737 WeakPolarHBondContact O-CB 3.45Å; I733-L737 PolarHBondContact O-N 2.83Å |
| 734 | D | 84.4 | Confident | 87.2 | Confident | 110 Ų | 110 | 64 Ų | 64 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.5 | -37.3 | 179.4 | -73.9 | -41.6 | 0 | 0 | 0 | 111.9 | E732 L737 K738 | E732-D734 PolarHBondContact O-N 2.88Å; D734-L737 PolarHBondContact O-N 3.38Å; D734-K738 WeakPolarHBondContact O-CB 3.37Å; D734-K738 PolarHBondContact O-N 2.9Å |
| 735 | D | 84.2 | Confident | 86.9 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 173.4 | -76.4 | -24.2 | 0 | 0 | 0 | 111.2 | V730 E732 I733 L737 K738 E739 | V730-D735 HydrophobicContact CG1-CB 3.59Å; E732-D735 PolarHBondContact O-N 3.37Å; I733-D735 VanDerWaalsContact C-N 3.32Å; I733-D735 PolarHBondContact O-N 3.09Å; D735-L737 VanDerWaalsContact C-N 3.34Å; D735-L737 PolarHBondContact O-N 2.97Å; D735-K738 WeakPolarHBondContact O-CB 3.32Å; D735-K738 PolarHBondContact O-N 3.17Å; D735-E739 PolarHBondContact O-N 3.45Å |
| 736 | A | 86.7 | Confident | 86.8 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V730 E732 I733 K738 E739 L740 | V730-A736 HydrophobicContact CG1-CB 4.04Å; E732-A736 PolarHBondContact O-N 3.25Å; I733-A736 PolarHBondContact O-N 2.93Å; A736-K738 VanDerWaalsContact C-N 3.34Å; A736-K738 PolarHBondContact O-N 3Å; A736-E739 PolarHBondContact O-N 3.07Å; A736-L740 WeakPolarHBondContact O-CG 3.49Å; A736-L740 PolarHBondContact O-N 2.8Å |
| 737 | L | 87.4 | Confident | 87.1 | Confident | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -38.6 | 176.2 | -179 | 65.8 | 0 | 0 | 0 | 111.9 | I656 L659 M660 I663 I733 D734 D735 K741 | I656-L737 HydrophobicContact CG2-CD1 4.02Å; L659-L737 HydrophobicContact CD2-CB 4.32Å; L659-L737 HydrophobicContact CD2-CD1 3.99Å; L659-L737 HydrophobicContact CG-CD1 4.44Å; M660-L737 HydrophobicContact CG-CD1 4.15Å; M660-L737 HydrophobicContact CG-CD2 4.3Å; I663-L737 HydrophobicContact CD1-CD2 4.01Å; I733-L737 WeakPolarHBondContact O-CB 3.45Å; I733-L737 PolarHBondContact O-N 2.83Å; D734-L737 PolarHBondContact O-N 3.38Å; D735-L737 VanDerWaalsContact C-N 3.34Å; D735-L737 PolarHBondContact O-N 2.97Å; L737-K741 HydrophobicContact CG-CD 4.4Å; L737-K741 WeakPolarHBondContact O-CB 3.45Å; L737-K741 WeakPolarHBondContact O-CG 3.48Å; L737-K741 PolarHBondContact O-N 2.91Å; L737-K741 VanDerWaalsContact O-N 3.09Å |
| 738 | K | 85.1 | Confident | 87.3 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 50% | 0.504 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 176 | -175.4 | -177.2 | 175.7 | -172.3 | 0 | 111.6 | D734 D735 A736 S742 | D734-K738 WeakPolarHBondContact O-CB 3.37Å; D734-K738 PolarHBondContact O-N 2.9Å; D735-K738 WeakPolarHBondContact O-CB 3.32Å; D735-K738 PolarHBondContact O-N 3.17Å; A736-K738 VanDerWaalsContact C-N 3.34Å; A736-K738 PolarHBondContact O-N 3Å; K738-S742 PolarHBondContact O-N 3.32Å; K738-S742 VanDerWaalsContact O-N 3.12Å |
| 739 | E | 87.9 | Confident | 87.2 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 176.3 | -70.3 | -56.7 | 128.4 | 0 | 0 | 112.5 | T726 D735 A736 K741 S742 Y743 | T726-E739 HydrophobicContact CG2-CB 3.97Å; T726-E739 HydrophobicContact CG2-CG 4.24Å; D735-E739 PolarHBondContact O-N 3.45Å; A736-E739 PolarHBondContact O-N 3.07Å; E739-K741 VanDerWaalsContact C-N 3.34Å; E739-K741 PolarHBondContact O-N 3Å; E739-S742 WeakPolarHBondContact O-CA 3.49Å; E739-S742 VanDerWaalsContact O-CB 3.25Å; E739-S742 WeakPolarHBondContact O-CB 3.34Å; E739-S742 PolarHBondContact O-N 3.11Å; E739-Y743 HydrophobicContact CB-CE2 4.25Å; E739-Y743 WeakPolarHBondContact O-CD2 3.29Å; E739-Y743 VanDerWaalsContact O-CG 3.29Å; E739-Y743 PolarHBondContact O-N 2.94Å |
| 740 | L | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 175 | -75.2 | 170.2 | 0 | 0 | 0 | 112.2 | L652 I656 L659 L680 A736 S742 Y743 R744 | L652-L740 HydrophobicContact CD2-CD2 3.78Å; I656-L740 HydrophobicContact CD1-CB 4.18Å; I656-L740 HydrophobicContact CG1-CB 3.92Å; L659-L740 HydrophobicContact CD2-CD1 4.25Å; L680-L740 HydrophobicContact CD2-CD2 3.72Å; L680-L740 HydrophobicContact CD2-CG 4.4Å; L680-L740 HydrophobicContact CG-CD2 4.06Å; A736-L740 WeakPolarHBondContact O-CG 3.49Å; A736-L740 PolarHBondContact O-N 2.8Å; L740-S742 VanDerWaalsContact C-N 3.29Å; L740-S742 PolarHBondContact O-N 3.39Å; L740-Y743 PolarHBondContact O-N 2.93Å; L740-R744 PolarHBondContact O-N 3.5Å; L740-R744 VanDerWaalsContact O-N 3.09Å |
| 741 | K | 90.7 | Very high | 88.3 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 40% | 0.404 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 174.9 | -75 | 173.7 | 179 | 175.1 | 0 | 111.9 | I656 L737 E739 E745 | I656-K741 HydrophobicContact CD1-CG 4.06Å; I656-K741 HydrophobicContact CG2-CG 4.35Å; L737-K741 HydrophobicContact CG-CD 4.4Å; L737-K741 WeakPolarHBondContact O-CB 3.45Å; L737-K741 WeakPolarHBondContact O-CG 3.48Å; L737-K741 PolarHBondContact O-N 2.91Å; L737-K741 VanDerWaalsContact O-N 3.09Å; E739-K741 VanDerWaalsContact C-N 3.34Å; E739-K741 PolarHBondContact O-N 3Å; K741-E745 PolarHBondContact O-N 3.47Å |
| 742 | S | 85.4 | Confident | 89 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 174.7 | 161.6 | 0 | 0 | 0 | 0 | 112.4 | C240 R274 K738 E739 L740 E745 T746 | C240-S742 PolarHBondContact SG-OG 3.1Å; R274-S742 PolarHBondContact NH2-OG 3.46Å; K738-S742 PolarHBondContact O-N 3.32Å; K738-S742 VanDerWaalsContact O-N 3.12Å; E739-S742 WeakPolarHBondContact O-CA 3.49Å; E739-S742 VanDerWaalsContact O-CB 3.25Å; E739-S742 WeakPolarHBondContact O-CB 3.34Å; E739-S742 PolarHBondContact O-N 3.11Å; L740-S742 VanDerWaalsContact C-N 3.29Å; L740-S742 PolarHBondContact O-N 3.39Å; S742-E745 PolarHBondContact O-N 3.47Å; S742-T746 PolarHBondContact O-N 3.07Å; S742-T746 PolarHBondContact O-OG1 3.45Å |
| 743 | Y | 93.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -46.7 | 179.2 | -59.7 | -24 | 0 | 0 | 0 | 111.3 | L680 F683 L719 Q722 A723 T726 E739 L740 E745 T746 I747 | L680-Y743 HydrophobicContact CD2-CE2 4.08Å; F683-Y743 AromaticContact CD1-CD2 3.92Å; F683-Y743 HydrophobicContact CD1-CD2 3.92Å; F683-Y743 HydrophobicContact CD1-CG 4.43Å; F683-Y743 AromaticContact CE1-CD2 3.67Å; F683-Y743 HydrophobicContact CE1-CD2 3.67Å; F683-Y743 HydrophobicContact CE1-CE2 4.46Å; F683-Y743 AromaticContact CE1-CG 3.75Å; F683-Y743 HydrophobicContact CE1-CG 3.75Å; F683-Y743 HydrophobicContact CZ-CG 4.24Å; L719-Y743 HydrophobicContact CD2-CD1 3.72Å; L719-Y743 HydrophobicContact CD2-CE1 4.38Å; L719-Y743 HydrophobicContact CD2-CG 4.45Å; Q722-Y743 HydrophobicContact CB-CE1 4.13Å; Q722-Y743 PolarHBondContact O-OH 2.92Å; A723-Y743 HydrophobicContact CB-CE2 4Å; T726-Y743 WeakPolarHBondContact CB-OH 3.48Å; T726-Y743 PolarHBondContact OG1-OH 3.41Å; E739-Y743 HydrophobicContact CB-CE2 4.25Å; E739-Y743 WeakPolarHBondContact O-CD2 3.29Å; E739-Y743 VanDerWaalsContact O-CG 3.29Å; E739-Y743 PolarHBondContact O-N 2.94Å; L740-Y743 PolarHBondContact O-N 2.93Å; Y743-E745 PolarHBondContact O-N 3.31Å; Y743-T746 WeakPolarHBondContact O-CB 3.31Å; Y743-T746 PolarHBondContact O-N 3.46Å; Y743-T746 VanDerWaalsContact O-N 3.16Å; Y743-I747 WeakPolarHBondContact O-CG1 3.35Å; Y743-I747 PolarHBondContact O-N 3.46Å |
| 744 | R | 94.3 | Very high | 89.8 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55 | -49.7 | 175.7 | 178.2 | -167.1 | 168.1 | -86.4 | 8 | 112 | L652 E653 I656 L740 T746 I747 L748 | L652-R744 HydrophobicContact CB-CB 4.28Å; L652-R744 HydrophobicContact CD1-CB 4.11Å; E653-R744 WeakPolarHBondContact OE2-CD 3.3Å; E653-R744 IonicContact OE2-CZ 3.79Å; E653-R744 IonicContact OE2-NE 3.27Å; E653-R744 PolarHBondContact OE2-NE 3.39Å; E653-R744 IonicContact OE2-NH2 3.28Å; I656-R744 HydrophobicContact CD1-CB 4.33Å; L740-R744 PolarHBondContact O-N 3.5Å; L740-R744 VanDerWaalsContact O-N 3.09Å; R744-T746 VanDerWaalsContact C-N 3.27Å; R744-T746 PolarHBondContact O-N 2.89Å; R744-I747 PolarHBondContact O-N 3.4Å; R744-L748 HydrophobicContact CG-CD1 4.32Å; R744-L748 WeakPolarHBondContact O-CG 3.4Å; R744-L748 PolarHBondContact O-N 3.19Å |
| 745 | E | 87.7 | Confident | 90.3 | Very high | 87 Ų | 87 | 38.9 Ų | 38.9 | 41% | 0.407 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.5 | -37.3 | -179.2 | -165.3 | 65.2 | -170 | 0 | 0 | 111.7 | K741 S742 Y743 L748 N749 | K741-E745 PolarHBondContact O-N 3.47Å; S742-E745 PolarHBondContact O-N 3.47Å; Y743-E745 PolarHBondContact O-N 3.31Å; E745-L748 PolarHBondContact O-N 3.43Å; E745-N749 PolarHBondContact O-N 3.21Å; E745-N749 VanDerWaalsContact O-N 3.12Å; E745-N749 PolarHBondContact O-ND2 2.63Å; E745-N749 VanDerWaalsContact O-ND2 3.08Å |
| 746 | T | 88.3 | Confident | 90.6 | Very high | 12 Ų | 12 | 38 Ų | 38 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 176.6 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | L719 S742 Y743 R744 N749 L750 | L719-T746 HydrophobicContact CD1-CG2 3.91Å; L719-T746 HydrophobicContact CD2-CG2 4.16Å; L719-T746 HydrophobicContact CG-CG2 4.43Å; S742-T746 PolarHBondContact O-N 3.07Å; S742-T746 PolarHBondContact O-OG1 3.45Å; Y743-T746 WeakPolarHBondContact O-CB 3.31Å; Y743-T746 PolarHBondContact O-N 3.46Å; Y743-T746 VanDerWaalsContact O-N 3.16Å; R744-T746 VanDerWaalsContact C-N 3.27Å; R744-T746 PolarHBondContact O-N 2.89Å; T746-N749 PolarHBondContact O-N 2.72Å; T746-L750 WeakPolarHBondContact O-CG 3.38Å; T746-L750 PolarHBondContact O-N 3.28Å; T746-L750 VanDerWaalsContact O-N 3.11Å |
| 747 | I | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.9 | -64.6 | -68.1 | 0 | 0 | 0 | 111.6 | L645 I648 A649 F683 L716 L719 Y743 R744 N749 L750 A751 | L645-I747 HydrophobicContact CB-CG2 4.17Å; L645-I747 HydrophobicContact CD2-CD1 4.39Å; L645-I747 HydrophobicContact CD2-CG2 4.36Å; L645-I747 WeakPolarHBondContact O-CG2 3.02Å; I648-I747 HydrophobicContact CB-CG2 4.26Å; I648-I747 HydrophobicContact CG2-CD1 4.32Å; I648-I747 HydrophobicContact CG2-CG1 4.29Å; I648-I747 HydrophobicContact CG2-CG2 4.39Å; A649-I747 HydrophobicContact CB-CB 4.41Å; A649-I747 HydrophobicContact CB-CG2 3.87Å; F683-I747 HydrophobicContact CE2-CD1 4.13Å; F683-I747 HydrophobicContact CE2-CG1 3.94Å; F683-I747 HydrophobicContact CZ-CD1 4.36Å; F683-I747 HydrophobicContact CZ-CG1 4.26Å; L716-I747 HydrophobicContact CD2-CD1 3.63Å; L719-I747 HydrophobicContact CD1-CD1 3.61Å; L719-I747 HydrophobicContact CD1-CG1 4.13Å; Y743-I747 WeakPolarHBondContact O-CG1 3.35Å; Y743-I747 PolarHBondContact O-N 3.46Å; R744-I747 PolarHBondContact O-N 3.4Å; I747-N749 VanDerWaalsContact C-N 3.28Å; I747-N749 PolarHBondContact O-N 3.15Å; I747-L750 HydrophobicContact CD1-CD1 4.44Å; I747-L750 WeakPolarHBondContact O-CB 3.35Å; I747-L750 PolarHBondContact O-N 3.34Å; I747-L750 VanDerWaalsContact O-N 3.09Å; I747-A751 PolarHBondContact O-N 2.95Å |
| 748 | L | 93.6 | Very high | 91.4 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 29% | 0.288 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 176 | -72.2 | 174.7 | 0 | 0 | 0 | 111.9 | L646 A649 R744 E745 L750 A751 | L646-L748 HydrophobicContact CD2-CD2 4.18Å; A649-L748 HydrophobicContact CB-CD2 3.74Å; A649-L748 HydrophobicContact CB-CG 4.04Å; R744-L748 HydrophobicContact CG-CD1 4.32Å; R744-L748 WeakPolarHBondContact O-CG 3.4Å; R744-L748 PolarHBondContact O-N 3.19Å; E745-L748 PolarHBondContact O-N 3.43Å; L748-L750 VanDerWaalsContact C-N 3.34Å; L748-L750 PolarHBondContact O-N 3.21Å; L748-A751 PolarHBondContact O-N 3.34Å |
| 749 | N | 87.6 | Confident | 91.9 | Very high | 81 Ų | 81 | 31.7 Ų | 31.7 | 43% | 0.433 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66 | -34.5 | 175.1 | -71.7 | -37.5 | 0 | 0 | 0 | 112.7 | E745 T746 I747 A751 | E745-N749 PolarHBondContact O-N 3.21Å; E745-N749 VanDerWaalsContact O-N 3.12Å; E745-N749 PolarHBondContact O-ND2 2.63Å; E745-N749 VanDerWaalsContact O-ND2 3.08Å; T746-N749 PolarHBondContact O-N 2.72Å; I747-N749 VanDerWaalsContact C-N 3.28Å; I747-N749 PolarHBondContact O-N 3.15Å; N749-A751 VanDerWaalsContact C-N 3.34Å |
| 750 | L | 90.7 | Very high | 92.3 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.8 | -25.3 | 176.3 | -69.5 | 171.3 | 0 | 0 | 0 | 113.6 | L645 R712 Q715 L719 T746 I747 L748 I752 | L645-L750 HydrophobicContact CD1-CB 3.99Å; L645-L750 WeakPolarHBondContact CD1-O 3.38Å; L645-L750 HydrophobicContact CD2-CB 4.43Å; R712-L750 PolarHBondContact NE-O 3.45Å; R712-L750 VanDerWaalsContact NE-O 3.09Å; Q715-L750 HydrophobicContact CB-CD1 3.68Å; Q715-L750 HydrophobicContact CB-CD2 4.05Å; Q715-L750 HydrophobicContact CB-CG 4.49Å; Q715-L750 HydrophobicContact CG-CD1 4.49Å; Q715-L750 HydrophobicContact CG-CD2 4.06Å; L719-L750 HydrophobicContact CD1-CD1 4.45Å; T746-L750 WeakPolarHBondContact O-CG 3.38Å; T746-L750 PolarHBondContact O-N 3.28Å; T746-L750 VanDerWaalsContact O-N 3.11Å; I747-L750 HydrophobicContact CD1-CD1 4.44Å; I747-L750 WeakPolarHBondContact O-CB 3.35Å; I747-L750 PolarHBondContact O-N 3.34Å; I747-L750 VanDerWaalsContact O-N 3.09Å; L748-L750 VanDerWaalsContact C-N 3.34Å; L748-L750 PolarHBondContact O-N 3.21Å; L750-I752 PolarHBondContact O-N 2.83Å |
| 751 | A | 94.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -9.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V642 L645 L646 I747 L748 N749 E753 | V642-A751 WeakPolarHBondContact CG1-O 3.26Å; V642-A751 WeakPolarHBondContact CG2-O 3.34Å; L645-A751 HydrophobicContact CB-CB 3.86Å; L646-A751 HydrophobicContact CD2-CB 3.75Å; L646-A751 HydrophobicContact CG-CB 3.99Å; I747-A751 PolarHBondContact O-N 2.95Å; L748-A751 PolarHBondContact O-N 3.34Å; N749-A751 VanDerWaalsContact C-N 3.34Å; A751-E753 PolarHBondContact O-N 2.83Å |
| 752 | I | 92.4 | Very high | 92.8 | Very high | 73 Ų | 73 | 26.3 Ų | 26.3 | 37% | 0.374 | 13% | 0.134 | S | C | . | . | trans | -67.7 | 125.6 | 175.8 | -59.9 | 174.8 | 0 | 0 | 0 | 109.3 | Q468 R712 L750 | Q468-I752 HydrophobicContact CG-CG2 3.99Å; R712-I752 PolarHBondContact NH2-O 3.39Å; R712-I752 VanDerWaalsContact NH2-O 3.14Å; L750-I752 PolarHBondContact O-N 2.83Å | ||
| 753 | E | 94.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | trans | -120.6 | 107.6 | 178.3 | -179.8 | 54 | -114.8 | 0 | 0 | 110.3 | R638 V642 R712 A751 Q755 M756 | R638-E753 HydrophobicContact CB-CG 4.38Å; V642-E753 HydrophobicContact CG2-CB 3.46Å; V642-E753 VanDerWaalsContact CG2-CB 3.46Å; V642-E753 HydrophobicContact CG2-CG 4.15Å; R712-E753 IonicContact CZ-OE2 3.1Å; R712-E753 IonicContact NH1-OE2 3.36Å; R712-E753 PolarHBondContact NH1-OE2 3.19Å; R712-E753 IonicContact NH2-OE2 3.46Å; R712-E753 PolarHBondContact NH2-OE2 3.5Å; A751-E753 PolarHBondContact O-N 2.83Å; E753-Q755 VanDerWaalsContact C-N 3.31Å; E753-Q755 PolarHBondContact O-N 2.86Å; E753-Q755 WeakPolarHBondContact OE1-CB 3.25Å; E753-Q755 PolarHBondContact OE1-N 2.84Å; E753-M756 HydrophobicContact CB-CG 4.02Å; E753-M756 HydrophobicContact CB-SD 4.43Å; E753-M756 HydrophobicContact CG-CG 3.93Å; E753-M756 WeakPolarHBondContact O-CG 3.45Å | ||
| 754 | P | 92.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 25.9 Ų | 25.9 | 17% | 0.169 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -23.2 | -179.7 | 28.1 | -34.1 | 0 | 0 | 0 | 112.8 | Q468 I469 M704 L708 M756 | Q468-P754 HydrophobicContact CB-CB 4.32Å; I469-P754 HydrophobicContact CG2-CB 3.81Å; I469-P754 HydrophobicContact CG2-CG 3.92Å; M704-P754 HydrophobicContact CE-CG 3.75Å; L708-P754 HydrophobicContact CD1-CG 4.36Å; P754-M756 VanDerWaalsContact C-N 3.35Å; P754-M756 PolarHBondContact O-N 2.86Å |
| 755 | Q | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 42.4 | -173.8 | -51.8 | -166.1 | 102.7 | 0 | 0 | 113.6 | F483 R638 N702 M704 D705 E753 S757 | F483-Q755 HydrophobicContact CD2-CG 3.95Å; F483-Q755 HydrophobicContact CE2-CB 4.38Å; F483-Q755 HydrophobicContact CE2-CG 3.78Å; R638-Q755 PolarHBondContact NH1-O 3.23Å; N702-Q755 PolarHBondContact ND2-OE1 3.39Å; N702-Q755 PolarHBondContact OD1-NE2 3.38Å; N702-Q755 VanDerWaalsContact OD1-NE2 3.16Å; N702-Q755 PolarHBondContact OD1-OE1 3.48Å; M704-Q755 HydrophobicContact CG-CG 4.26Å; D705-Q755 PolarHBondContact OD1-NE2 3.44Å; E753-Q755 VanDerWaalsContact C-N 3.31Å; E753-Q755 PolarHBondContact O-N 2.86Å; E753-Q755 WeakPolarHBondContact OE1-CB 3.25Å; E753-Q755 PolarHBondContact OE1-N 2.84Å; Q755-S757 PolarHBondContact O-N 2.83Å; Q755-S757 VanDerWaalsContact O-N 3.08Å |
| 756 | M | 90.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 19.3 Ų | 19.3 | 28% | 0.281 | 10% | 0.103 | S | C | . | . | trans | -80 | 82.9 | 178.4 | -67.2 | -111 | -96.2 | 0 | 0 | 111.3 | N489 L639 E753 P754 H780 | N489-M756 PolarHBondContact ND2-O 2.65Å; L639-M756 HydrophobicContact CD2-SD 3.5Å; L639-M756 VanDerWaalsContact CD2-SD 3.5Å; E753-M756 HydrophobicContact CB-CG 4.02Å; E753-M756 HydrophobicContact CB-SD 4.43Å; E753-M756 HydrophobicContact CG-CG 3.93Å; E753-M756 WeakPolarHBondContact O-CG 3.45Å; P754-M756 VanDerWaalsContact C-N 3.35Å; P754-M756 PolarHBondContact O-N 2.86Å; M756-H780 WeakPolarHBondContact CE-ND1 3.12Å | ||
| 757 | S | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | trans | -74.8 | -26.2 | -177.5 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | N489 E633 Q755 | N489-S757 VanDerWaalsContact ND2-C 3.32Å; N489-S757 PolarHBondContact ND2-O 3.28Å; N489-S757 PolarHBondContact OD1-O 2.93Å; E633-S757 WeakPolarHBondContact CG-OG 3.33Å; E633-S757 WeakPolarHBondContact OE1-CB 3.27Å; E633-S757 PolarHBondContact OE1-OG 3.26Å; Q755-S757 PolarHBondContact O-N 2.83Å; Q755-S757 VanDerWaalsContact O-N 3.08Å | ||
| 758 | I | 95.9 | Very high | 92.6 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -75 | 127.1 | 176.5 | -57.4 | -177.7 | 0 | 0 | 0 | 109.5 | N489 I584 W632 I635 L639 A779 F829 | N489-I758 VanDerWaalsContact ND2-C 3.31Å; N489-I758 PolarHBondContact ND2-O 3.5Å; I584-I758 HydrophobicContact CD1-CG2 3.9Å; W632-I758 HydrophobicContact CB-CD1 4.34Å; W632-I758 HydrophobicContact CB-CG1 4.11Å; W632-I758 HydrophobicContact CG-CG1 4.44Å; W632-I758 HydrophobicContact CG-CG2 4.36Å; I635-I758 HydrophobicContact CD1-CD1 4.39Å; I635-I758 HydrophobicContact CD1-CG1 4.12Å; I635-I758 HydrophobicContact CG1-CD1 3.98Å; I635-I758 HydrophobicContact CG1-CG1 4.1Å; L639-I758 HydrophobicContact CD1-CD1 4.04Å; I758-A779 HydrophobicContact CB-CB 4.32Å; I758-A779 HydrophobicContact CG2-CB 3.72Å; I758-F829 HydrophobicContact CD1-CE1 4.17Å; I758-F829 HydrophobicContact CD1-CZ 4.5Å; I758-F829 HydrophobicContact CG2-CE1 3.9Å; I758-F829 HydrophobicContact CG2-CZ 3.92Å |
| 759 | P | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 162.3 | 178 | -18.7 | 29.7 | 0 | 0 | 0 | 113.4 | N489 Y517 I584 W632 | N489-P759 WeakPolarHBondContact OD1-CG 3.41Å; Y517-P759 HydrophobicContact CD2-CB 4.03Å; Y517-P759 HydrophobicContact CD2-CG 4.25Å; Y517-P759 HydrophobicContact CE2-CB 4.06Å; Y517-P759 HydrophobicContact CE2-CG 3.77Å; I584-P759 HydrophobicContact CG1-CB 4.3Å; W632-P759 HydrophobicContact CE3-CG 4.45Å; W632-P759 HydrophobicContact CH2-CG 3.51Å; W632-P759 HydrophobicContact CZ2-CG 4.02Å; W632-P759 HydrophobicContact CZ3-CG 3.75Å |
| 760 | D | 96.2 | Very high | 91.5 | Very high | 24 Ų | 24 | 25.4 Ų | 25.4 | 13% | 0.128 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 149.2 | 169.9 | -68.3 | 6.2 | 0 | 0 | 0 | 110.4 | Y491 R776 | Y491-D760 HydrophobicContact CE1-CB 4.37Å; Y491-D760 WeakPolarHBondContact OH-CB 3.06Å; Y491-D760 PolarHBondContact OH-N 3.13Å; Y491-D760 PolarHBondContact OH-OD1 2.89Å; D760-R776 IonicContact OD2-CZ 3.45Å; D760-R776 IonicContact OD2-NE 2.79Å; D760-R776 PolarHBondContact OD2-NE 3.1Å; D760-R776 IonicContact OD2-NH2 3.16Å; D760-R776 PolarHBondContact OD2-NH2 2.81Å |
| 761 | I | 97.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 128 | 168 | -61.4 | 154.6 | 0 | 0 | 0 | 107.6 | L560 I582 S583 I584 R776 I777 V782 V827 F829 | L560-I761 HydrophobicContact CD1-CD1 3.7Å; L560-I761 HydrophobicContact CD1-CG1 4.24Å; L560-I761 HydrophobicContact CD1-CG2 4.5Å; L560-I761 HydrophobicContact CD2-CB 4.49Å; L560-I761 HydrophobicContact CD2-CD1 4.33Å; L560-I761 HydrophobicContact CD2-CG1 3.93Å; L560-I761 HydrophobicContact CD2-CG2 3.81Å; I582-I761 HydrophobicContact CG2-CG2 4.2Å; S583-I761 CarbonylContact O-C 3.48Å; S583-I761 WeakPolarHBondContact O-CA 3.43Å; I584-I761 HydrophobicContact CB-CG1 4.33Å; I584-I761 HydrophobicContact CD1-CG1 4.01Å; I584-I761 HydrophobicContact CG1-CG1 4.34Å; I761-R776 CarbonylContact O-C 3.56Å; I761-R776 WeakPolarHBondContact O-CA 3.29Å; I761-I777 HydrophobicContact CB-CB 4.23Å; I761-I777 PolarHBondContact N-O 3.45Å; I761-I777 PolarHBondContact O-N 3.45Å; I761-V782 HydrophobicContact CD1-CG2 3.41Å; I761-V782 VanDerWaalsContact CD1-CG2 3.41Å; I761-V827 HydrophobicContact CD1-CG1 4.35Å; I761-F829 HydrophobicContact CD1-CB 4.29Å |
| 762 | I | 96 | Very high | 91 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.2 | -180 | -49 | 179.1 | 0 | 0 | 0 | 108.7 | I582 S583 W764 H775 R776 | I582-I762 WeakPolarHBondContact CA-O 3.41Å; S583-I762 PolarHBondContact N-O 3.41Å; S583-I762 PolarHBondContact O-N 2.86Å; I762-W764 HydrophobicContact CG2-CD2 4.45Å; I762-W764 HydrophobicContact CG2-CG 4.32Å; I762-W764 HydrophobicContact CG2-CZ2 4.46Å; I762-W764 VanDerWaalsContact CG2-NE1 3.33Å; I762-H775 WeakPolarHBondContact CA-O 3.25Å; I762-R776 HydrophobicContact CG1-CG 4.29Å |
| 763 | I | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.1 | 169.8 | -48.4 | -166.1 | 0 | 0 | 0 | 107.5 | F564 E581 I582 Y774 H775 I777 I801 L823 | F564-I763 HydrophobicContact CE1-CG2 4.48Å; E581-I763 CarbonylContact O-C 3.58Å; E581-I763 WeakPolarHBondContact O-CA 3.39Å; I582-I763 HydrophobicContact CD1-CB 4.03Å; I582-I763 HydrophobicContact CD1-CD1 3.9Å; I582-I763 HydrophobicContact CD1-CG1 3.52Å; I582-I763 HydrophobicContact CD1-CG2 3.9Å; I763-Y774 CarbonylContact O-C 3.55Å; I763-Y774 WeakPolarHBondContact O-CA 3.46Å; I763-H775 PolarHBondContact N-O 3.44Å; I763-H775 PolarHBondContact O-N 2.92Å; I763-I777 HydrophobicContact CD1-CD1 3.82Å; I763-I777 HydrophobicContact CG1-CD1 4.22Å; I763-I801 HydrophobicContact CD1-CD1 4.17Å; I763-L823 HydrophobicContact CG2-CD1 3.81Å |
| 764 | W | 94.9 | Very high | 91 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 137.6 | 173.2 | -77.1 | 104.1 | 0 | 0 | 0 | 110.9 | P494 V515 A516 F580 E581 I762 L766 R771 Y774 | P494-W764 HydrophobicContact CB-CH2 4.2Å; P494-W764 HydrophobicContact CG-CH2 4.3Å; V515-W764 HydrophobicContact CB-CH2 4.45Å; V515-W764 HydrophobicContact CG2-CH2 4Å; V515-W764 HydrophobicContact CG2-CZ2 4.45Å; A516-W764 HydrophobicContact CB-CZ2 4.07Å; F580-W764 CarbonylContact C-O 3.46Å; F580-W764 WeakPolarHBondContact CA-O 3.49Å; E581-W764 HydrophobicContact CB-CB 4.21Å; E581-W764 PolarHBondContact N-O 3.1Å; E581-W764 PolarHBondContact O-N 3.38Å; I762-W764 HydrophobicContact CG2-CD2 4.45Å; I762-W764 HydrophobicContact CG2-CG 4.32Å; I762-W764 HydrophobicContact CG2-CZ2 4.46Å; I762-W764 VanDerWaalsContact CG2-NE1 3.33Å; W764-L766 HydrophobicContact CB-CD1 3.78Å; W764-R771 HydrophobicContact CB-CG 4.37Å; W764-R771 HydrophobicContact CD2-CB 4.23Å; W764-R771 HydrophobicContact CD2-CG 3.92Å; W764-R771 HydrophobicContact CE3-CB 3.53Å; W764-R771 HydrophobicContact CE3-CG 3.75Å; W764-R771 HydrophobicContact CG-CG 4.2Å; W764-R771 HydrophobicContact CZ3-CB 3.77Å; W764-R771 HydrophobicContact CZ3-CG 4.35Å; W764-Y774 HydrophobicContact CH2-CD1 4.43Å; W764-Y774 HydrophobicContact CH2-CG 4.23Å; W764-Y774 HydrophobicContact CZ3-CD1 4.4Å; W764-Y774 HydrophobicContact CZ3-CG 4.28Å |
| 765 | M | 93.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 3% | 0.034 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.7 | 162.6 | -178.9 | -173.6 | -173.4 | 0 | 0 | 108.7 | I570 I578 F580 T772 A773 L803 P820 A821 | I570-M765 HydrophobicContact CG2-CE 3.94Å; I578-M765 HydrophobicContact CD1-CE 3.61Å; I578-M765 HydrophobicContact CG1-CE 4.04Å; I578-M765 HydrophobicContact CG2-CE 3.87Å; I578-M765 HydrophobicContact CG2-CG 4.01Å; F580-M765 HydrophobicContact CD1-CB 4.02Å; F580-M765 HydrophobicContact CD1-CG 4.28Å; F580-M765 HydrophobicContact CE1-CB 3.83Å; F580-M765 HydrophobicContact CE1-CG 3.73Å; F580-M765 HydrophobicContact CE1-SD 4.48Å; M765-T772 PolarHBondContact O-N 2.67Å; M765-T772 PolarHBondContact O-OG1 2.74Å; M765-A773 HydrophobicContact CB-CB 4.16Å; M765-A773 PolarHBondContact N-O 3.32Å; M765-A773 HydrophobicContact SD-CB 4.28Å; M765-L803 HydrophobicContact CB-CD1 3.64Å; M765-L803 HydrophobicContact CG-CD1 4.4Å; M765-L803 HydrophobicContact SD-CD1 4.28Å; M765-P820 HydrophobicContact SD-CB 4.41Å; M765-A821 HydrophobicContact CE-CB 4.36Å; M765-A821 HydrophobicContact SD-CB 4.07Å |
| 766 | L | 90.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.2 | 177.2 | -65.5 | 81.3 | 0 | 0 | 0 | 109.5 | I578 E579 E581 W764 K770 R771 | I578-L766 VanDerWaalsContact CA-O 3.31Å; I578-L766 WeakPolarHBondContact CA-O 3.07Å; E579-L766 HydrophobicContact CG-CB 3.65Å; E579-L766 HydrophobicContact CG-CD1 4.35Å; E579-L766 HydrophobicContact CG-CD2 4.31Å; E579-L766 HydrophobicContact CG-CG 4.32Å; E579-L766 PolarHBondContact N-O 3Å; E579-L766 PolarHBondContact O-N 3.08Å; E581-L766 HydrophobicContact CB-CD1 3.48Å; E581-L766 VanDerWaalsContact CB-CD1 3.48Å; W764-L766 HydrophobicContact CB-CD1 3.78Å; L766-K770 CarbonylContact C-O 3.52Å; L766-K770 WeakPolarHBondContact CA-O 3.38Å; L766-R771 HydrophobicContact CG-CG 4.14Å |
| 767 | C | 86.1 | Confident | 91.5 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 113.9 | 174.1 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | G769 K770 T772 | C767-G769 PolarHBondContact O-N 3.01Å; C767-K770 PolarHBondContact N-O 2.97Å; C767-K770 PolarHBondContact O-N 3.31Å; C767-K770 VanDerWaalsContact O-N 3.11Å; C767-T772 HydrophobicContact CB-CG2 3.91Å; C767-T772 PolarHBondContact SG-OG1 3.01Å; C767-T772 VanDerWaalsContact SG-OG1 3.33Å |
| 768 | G | 75.7 | Confident | 91.6 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 59% | 0.588 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 30.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P577 | P577-G768 PolarHBondContact O-N 2.77Å; P577-G768 VanDerWaalsContact O-N 3.09Å |
| 769 | G | 75.6 | Confident | 91.6 | Very high | 53 Ų | 53 | 26 Ų | 26 | 55% | 0.546 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -1.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C767 | C767-G769 PolarHBondContact O-N 3.01Š|
| 770 | K | 83.4 | Confident | 91.5 | Very high | 143 Ų | 143 | 26.9 Ų | 26.9 | 62% | 0.622 | 16% | 0.161 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 138.2 | 175.6 | -63.4 | -175.4 | 179.6 | -177.8 | 0 | 111.4 | L766 C767 T772 | L766-K770 CarbonylContact C-O 3.52Å; L766-K770 WeakPolarHBondContact CA-O 3.38Å; C767-K770 PolarHBondContact N-O 2.97Å; C767-K770 PolarHBondContact O-N 3.31Å; C767-K770 VanDerWaalsContact O-N 3.11Å; K770-T772 PolarHBondContact O-N 3.06Å |
| 771 | R | 87.7 | Confident | 91.5 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 113.1 | 178.9 | -74.1 | 174.9 | 173.4 | 148.4 | -0.4 | 110.2 | R495 E496 E581 N589 W764 L766 | R495-R771 PolarHBondContact O-NH1 2.72Å; E496-R771 WeakPolarHBondContact OE1-CB 3.36Å; E496-R771 PolarHBondContact OE1-N 3.33Å; E581-R771 IonicContact OE1-CZ 3.72Å; E581-R771 IonicContact OE1-NE 3.62Å; E581-R771 PolarHBondContact OE1-NE 3.21Å; E581-R771 IonicContact OE1-NH2 3.85Å; E581-R771 PolarHBondContact OE1-NH2 2.63Å; E581-R771 IonicContact OE2-NH2 3.85Å; N589-R771 PolarHBondContact OD1-NH2 2.97Å; W764-R771 HydrophobicContact CB-CG 4.37Å; W764-R771 HydrophobicContact CD2-CB 4.23Å; W764-R771 HydrophobicContact CD2-CG 3.92Å; W764-R771 HydrophobicContact CE3-CB 3.53Å; W764-R771 HydrophobicContact CE3-CG 3.75Å; W764-R771 HydrophobicContact CG-CG 4.2Å; W764-R771 HydrophobicContact CZ3-CB 3.77Å; W764-R771 HydrophobicContact CZ3-CG 4.35Å; L766-R771 HydrophobicContact CG-CG 4.14Å |
| 772 | T | 87.1 | Confident | 91.4 | Very high | 57 Ų | 57 | 28.1 Ų | 28.1 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -29.3 | -174 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | M765 C767 K770 | M765-T772 PolarHBondContact O-N 2.67Å; M765-T772 PolarHBondContact O-OG1 2.74Å; C767-T772 HydrophobicContact CB-CG2 3.91Å; C767-T772 PolarHBondContact SG-OG1 3.01Å; C767-T772 VanDerWaalsContact SG-OG1 3.33Å; K770-T772 PolarHBondContact O-N 3.06Å |
| 773 | A | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 159.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | M765 L803 K804 P820 | M765-A773 HydrophobicContact CB-CB 4.16Å; M765-A773 PolarHBondContact N-O 3.32Å; M765-A773 HydrophobicContact SD-CB 4.28Å; A773-L803 HydrophobicContact CB-CB 4.05Å; A773-L803 HydrophobicContact CB-CD1 4.34Å; A773-K804 CarbonylContact C-O 3.55Å; A773-K804 VanDerWaalsContact CA-O 3.29Å; A773-K804 WeakPolarHBondContact CA-O 3.48Å; A773-K804 WeakPolarHBondContact CB-O 3.41Å; A773-P820 HydrophobicContact CB-CB 3.64Å; A773-P820 HydrophobicContact CB-CG 3.86Å |
| 774 | Y | 94.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 167.1 | -177.7 | 79 | -73 | 0 | 0 | 0 | 113.5 | V515 I763 W764 R776 K804 P806 | V515-Y774 HydrophobicContact CB-CD1 4.11Å; V515-Y774 HydrophobicContact CB-CD2 4.18Å; V515-Y774 HydrophobicContact CB-CE1 3.69Å; V515-Y774 HydrophobicContact CB-CE2 3.76Å; V515-Y774 HydrophobicContact CB-CG 4.36Å; V515-Y774 HydrophobicContact CG1-CD1 4.34Å; V515-Y774 HydrophobicContact CG1-CE1 3.47Å; V515-Y774 VanDerWaalsContact CG1-CE1 3.47Å; V515-Y774 HydrophobicContact CG1-CE2 4.02Å; V515-Y774 WeakPolarHBondContact CG1-OH 3.49Å; I763-Y774 CarbonylContact O-C 3.55Å; I763-Y774 WeakPolarHBondContact O-CA 3.46Å; W764-Y774 HydrophobicContact CH2-CD1 4.43Å; W764-Y774 HydrophobicContact CH2-CG 4.23Å; W764-Y774 HydrophobicContact CZ3-CD1 4.4Å; W764-Y774 HydrophobicContact CZ3-CG 4.28Å; Y774-R776 HydrophobicContact CD2-CG 4.17Å; Y774-R776 HydrophobicContact CE2-CG 4.04Å; Y774-K804 HydrophobicContact CD1-CG 4.43Å; Y774-K804 WeakPolarHBondContact CD1-O 3.47Å; Y774-K804 HydrophobicContact CE1-CG 4Å; Y774-K804 PolarHBondContact N-O 2.97Å; Y774-K804 WeakPolarHBondContact O-CG 3.42Å; Y774-K804 PolarHBondContact O-N 3.44Å; Y774-K804 VanDerWaalsContact OH-CE 3.26Å; Y774-K804 WeakPolarHBondContact OH-CE 3.23Å; Y774-P806 HydrophobicContact CD1-CG 4.2Å; Y774-P806 HydrophobicContact CE1-CG 4.3Å |
| 775 | H | 96.2 | Very high | 91.4 | Very high | 55 Ų | 55 | 32.2 Ų | 32.2 | 26% | 0.255 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 145 | 162.9 | -163.8 | 91.6 | 0 | 0 | 0 | 110.1 | I762 I763 I801 N802 L803 | I762-H775 WeakPolarHBondContact CA-O 3.25Å; I763-H775 PolarHBondContact N-O 3.44Å; I763-H775 PolarHBondContact O-N 2.92Å; H775-I801 HydrophobicContact CB-CG2 3.74Å; H775-I801 VanDerWaalsContact CD2-CG2 3.47Å; H775-I801 WeakPolarHBondContact CD2-CG2 3.15Å; H775-I801 VanDerWaalsContact ND1-CG2 3.35Å; H775-I801 WeakPolarHBondContact ND1-CG2 3.19Å; H775-N802 PolarHBondContact ND1-O 3.07Å; H775-L803 HydrophobicContact CB-CD2 3.72Å |
| 776 | R | 95.4 | Very high | 91.2 | Very high | 45 Ų | 45 | 36.7 Ų | 36.7 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.2 | 177.2 | -77.2 | 176.6 | 59.1 | 179.1 | -0.7 | 109.3 | Y491 G514 D760 I761 I762 Y774 | Y491-R776 VanDerWaalsContact CE2-NH2 3.3Å; Y491-R776 VanDerWaalsContact CZ-NH2 3.34Å; G514-R776 PolarHBondContact O-NH1 3.27Å; D760-R776 IonicContact OD2-CZ 3.45Å; D760-R776 IonicContact OD2-NE 2.79Å; D760-R776 PolarHBondContact OD2-NE 3.1Å; D760-R776 IonicContact OD2-NH2 3.16Å; D760-R776 PolarHBondContact OD2-NH2 2.81Å; I761-R776 CarbonylContact O-C 3.56Å; I761-R776 WeakPolarHBondContact O-CA 3.29Å; I762-R776 HydrophobicContact CG1-CG 4.29Å; Y774-R776 HydrophobicContact CD2-CG 4.17Å; Y774-R776 HydrophobicContact CE2-CG 4.04Å |
| 777 | I | 96.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114 | 177.8 | -54.1 | 175.1 | 0 | 0 | 0 | 107.4 | I761 I763 A779 V782 I801 V827 | I761-I777 HydrophobicContact CB-CB 4.23Å; I761-I777 PolarHBondContact N-O 3.45Å; I761-I777 PolarHBondContact O-N 3.45Å; I763-I777 HydrophobicContact CD1-CD1 3.82Å; I763-I777 HydrophobicContact CG1-CD1 4.22Å; I777-A779 PolarHBondContact O-N 3.27Å; I777-V782 HydrophobicContact CG2-CG1 3.95Å; I777-V782 HydrophobicContact CG2-CG2 4.22Å; I777-I801 HydrophobicContact CD1-CD1 3.63Å; I777-I801 HydrophobicContact CG1-CD1 4.32Å; I777-V827 HydrophobicContact CD1-CG2 4.24Å |
| 778 | P | 95.7 | Very high | 91.6 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 20% | 0.195 | 24% | 0.24 | C | C | . | . | trans | -57.3 | 136 | 172.6 | -24.3 | 34.7 | 0 | 0 | 0 | 111.3 | H780 E781 | P778-H780 VanDerWaalsContact C-N 3.28Å; P778-H780 VanDerWaalsContact CB-CE1 3.42Å; P778-H780 WeakPolarHBondContact CB-CE1 3.27Å; P778-H780 PolarHBondContact O-N 2.95Å; P778-E781 HydrophobicContact CB-CG 4.32Å; P778-E781 WeakPolarHBondContact CD-OE1 3.42Å; P778-E781 WeakPolarHBondContact CG-OE1 3.4Å; P778-E781 PolarHBondContact O-N 3.09Å | ||
| 779 | A | 95.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -59.3 | -36.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I758 I777 E781 V782 L783 F829 | I758-A779 HydrophobicContact CB-CB 4.32Å; I758-A779 HydrophobicContact CG2-CB 3.72Å; I777-A779 PolarHBondContact O-N 3.27Å; A779-E781 VanDerWaalsContact C-N 3.3Å; A779-E781 PolarHBondContact O-N 2.76Å; A779-V782 PolarHBondContact O-N 3.39Å; A779-L783 WeakPolarHBondContact O-CB 2.9Å; A779-L783 PolarHBondContact O-N 3.1Å; A779-F829 HydrophobicContact CB-CD1 4.15Å; A779-F829 HydrophobicContact CB-CE1 4.06Å |
| 780 | H | 95.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 9% | 0.088 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -63.6 | -31.3 | -179 | 71.4 | -82 | 0 | 0 | 0 | 113.4 | L639 N643 M756 P778 V782 L783 G792 | L639-H780 HydrophobicContact CB-CB 4.26Å; L639-H780 HydrophobicContact CD2-CB 4.2Å; N643-H780 PolarHBondContact ND2-O 2.91Å; N643-H780 VanDerWaalsContact ND2-O 3.1Å; N643-H780 PolarHBondContact OD1-CD2 3.11Å; N643-H780 PolarHBondContact OD1-O 2.99Å; N643-H780 VanDerWaalsContact OD1-O 3.07Å; M756-H780 WeakPolarHBondContact CE-ND1 3.12Å; P778-H780 VanDerWaalsContact C-N 3.28Å; P778-H780 VanDerWaalsContact CB-CE1 3.42Å; P778-H780 WeakPolarHBondContact CB-CE1 3.27Å; P778-H780 PolarHBondContact O-N 2.95Å; H780-V782 PolarHBondContact O-N 3.22Å; H780-L783 PolarHBondContact O-N 2.91Å; H780-G792 WeakPolarHBondContact O-CA 3.49Å |
| 781 | E | 94.8 | Very high | 93.9 | Very high | 51 Ų | 51 | 37.2 Ų | 37.2 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -61.6 | -27.6 | 179.3 | -71.5 | -170.6 | -147.4 | 0 | 0 | 112.6 | P778 A779 G792 L793 K794 C795 | P778-E781 HydrophobicContact CB-CG 4.32Å; P778-E781 WeakPolarHBondContact CD-OE1 3.42Å; P778-E781 WeakPolarHBondContact CG-OE1 3.4Å; P778-E781 PolarHBondContact O-N 3.09Å; A779-E781 VanDerWaalsContact C-N 3.3Å; A779-E781 PolarHBondContact O-N 2.76Å; E781-G792 CarbonylContact O-C 3.38Å; E781-G792 VanDerWaalsContact O-C 3.24Å; E781-G792 WeakPolarHBondContact O-CA 3.24Å; E781-L793 PolarHBondContact O-N 3.4Å; E781-K794 CarbonylContact O-C 3.38Å; E781-K794 WeakPolarHBondContact O-CA 3.24Å; E781-K794 PolarHBondContact O-N 3.4Å; E781-K794 IonicContact OE2-NZ 2.64Å; E781-K794 PolarHBondContact OE2-NZ 3.42Å; E781-C795 PolarHBondContact O-N 2.8Å |
| 782 | V | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -123 | 12.1 | -174.5 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | I761 I777 A779 H780 K794 C795 V827 F829 | I761-V782 HydrophobicContact CD1-CG2 3.41Å; I761-V782 VanDerWaalsContact CD1-CG2 3.41Å; I777-V782 HydrophobicContact CG2-CG1 3.95Å; I777-V782 HydrophobicContact CG2-CG2 4.22Å; A779-V782 PolarHBondContact O-N 3.39Å; H780-V782 PolarHBondContact O-N 3.22Å; V782-K794 HydrophobicContact CG1-CB 4.34Å; V782-C795 PolarHBondContact O-SG 3.04Å; V782-V827 HydrophobicContact CB-CB 4.23Å; V782-V827 HydrophobicContact CB-CG1 3.79Å; V782-V827 HydrophobicContact CG1-CB 3.83Å; V782-V827 HydrophobicContact CG1-CG1 3.78Å; V782-V827 HydrophobicContact CG2-CG1 3.76Å; V782-F829 HydrophobicContact CG2-CB 4.08Å; V782-F829 PolarHBondContact O-N 3.04Å |
| 783 | L | 96.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 128.7 | 179.6 | -176.1 | 73.3 | 0 | 0 | 0 | 111.1 | Y558 L639 A779 H780 G792 C795 F829 | Y558-L783 HydrophobicContact CE1-CD1 4.26Å; L639-L783 HydrophobicContact CB-CD2 3.58Å; L639-L783 HydrophobicContact CD1-CD2 3.72Å; L639-L783 HydrophobicContact CG-CD2 4.28Å; A779-L783 WeakPolarHBondContact O-CB 2.9Å; A779-L783 PolarHBondContact O-N 3.1Å; H780-L783 PolarHBondContact O-N 2.91Å; L783-G792 PolarHBondContact O-N 3.43Å; L783-C795 VanDerWaalsContact C-SG 3.58Å; L783-F829 CarbonylContact C-O 3.51Å; L783-F829 VanDerWaalsContact CA-O 3.27Å; L783-F829 WeakPolarHBondContact CA-O 3.25Å; L783-F829 HydrophobicContact CD1-CD1 3.65Å; L783-F829 HydrophobicContact CD1-CE1 3.91Å |
| 784 | Y | 96.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 41 Ų | 41 | 15% | 0.153 | 20% | 0.196 | C | C | . | . | trans | -80.2 | 140.7 | 173.6 | -176.9 | -97.8 | 0 | 0 | 0 | 111.4 | D786 C795 W828 F829 D834 A837 | Y784-D786 WeakPolarHBondContact CE1-OD1 3.35Å; Y784-D786 PolarHBondContact OH-OD1 3.43Å; Y784-C795 VanDerWaalsContact CA-SG 3.58Å; Y784-C795 PolarHBondContact N-SG 3.48Å; Y784-W828 AromaticContact CD1-CZ2 3.92Å; Y784-W828 HydrophobicContact CD1-CZ2 3.92Å; Y784-W828 HydrophobicContact CD2-CZ2 4.34Å; Y784-W828 AromaticContact CD2-NE1 3.23Å; Y784-W828 AromaticContact CG-CE2 3.73Å; Y784-W828 AromaticContact CG-CZ2 3.69Å; Y784-W828 HydrophobicContact CG-CZ2 3.69Å; Y784-W828 AromaticContact CG-NE1 3.38Å; Y784-F829 PolarHBondContact N-O 2.98Å; Y784-D834 HydrophobicContact CD1-CB 3.67Å; Y784-D834 HydrophobicContact CE1-CB 3.67Å; Y784-A837 HydrophobicContact CD2-CB 4.14Å; Y784-A837 HydrophobicContact CE1-CB 3.88Å; Y784-A837 HydrophobicContact CE2-CB 3.41Å; Y784-A837 VanDerWaalsContact CE2-CB 3.41Å; Y784-A837 VanDerWaalsContact OH-CB 3.28Å; Y784-A837 WeakPolarHBondContact OH-CB 3.36Å | ||
| 785 | H | 94.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 22% | 0.222 | 20% | 0.199 | C | C | . | . | trans | -149.4 | 145.6 | 170.1 | -163.9 | -78.9 | 0 | 0 | 0 | 108.8 | N787 Y790 R791 | H785-N787 PolarHBondContact ND1-N 3.49Å; H785-N787 VanDerWaalsContact ND1-N 3.1Å; H785-N787 PolarHBondContact ND1-O 3.22Å; H785-Y790 AromaticContact CE1-CD2 3.58Å; H785-Y790 AromaticContact ND1-CD2 3.81Å; H785-R791 HydrophobicContact CB-CB 4.47Å; H785-R791 PolarHBondContact O-NE 2.9Å; H785-R791 PolarHBondContact O-NH2 2.95Å | ||
| 786 | D | 90.8 | Very high | 94.3 | Very high | 102 Ų | 102 | 39.8 Ų | 39.8 | 55% | 0.545 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -61.7 | -48.9 | 179.4 | -71.7 | -22.5 | 0 | 0 | 0 | 111 | Y784 E788 R791 | Y784-D786 WeakPolarHBondContact CE1-OD1 3.35Å; Y784-D786 PolarHBondContact OH-OD1 3.43Å; D786-E788 PolarHBondContact O-N 2.95Å; D786-R791 PolarHBondContact O-NH2 2.96Å |
| 787 | N | 93.1 | Very high | 94 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -67.4 | 122.2 | 168.6 | -171.5 | -10.9 | 0 | 0 | 0 | 110.7 | H785 D789 Y790 R791 | H785-N787 PolarHBondContact ND1-N 3.49Å; H785-N787 VanDerWaalsContact ND1-N 3.1Å; H785-N787 PolarHBondContact ND1-O 3.22Å; N787-D789 VanDerWaalsContact C-N 3.29Å; N787-D789 PolarHBondContact O-N 3.49Å; N787-D789 PolarHBondContact OD1-N 2.99Å; N787-Y790 HydrophobicContact CB-CD2 3.81Å; N787-Y790 HydrophobicContact CB-CE2 4.15Å; N787-Y790 HydrophobicContact CB-CG 4.39Å; N787-Y790 WeakPolarHBondContact ND2-CE2 3.47Å; N787-Y790 PolarHBondContact O-N 2.83Å; N787-R791 PolarHBondContact O-N 3.42Å |
| 788 | E | 90.5 | Very high | 93.7 | Very high | 121 Ų | 121 | 41.4 Ų | 41.4 | 57% | 0.565 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -59.9 | -38 | 179.8 | -64.1 | -167.6 | 157 | 0 | 0 | 112.4 | R647 D786 Y790 R791 | R647-E788 PolarHBondContact NH1-O 2.86Å; R647-E788 VanDerWaalsContact NH1-O 3.12Å; R647-E788 PolarHBondContact NH2-O 3.19Å; D786-E788 PolarHBondContact O-N 2.95Å; E788-Y790 PolarHBondContact O-N 3.18Å; E788-Y790 VanDerWaalsContact O-N 3.13Å; E788-R791 VanDerWaalsContact O-CB 3.31Å; E788-R791 WeakPolarHBondContact O-CB 3.37Å; E788-R791 PolarHBondContact O-N 2.52Å |
| 789 | D | 92 | Very high | 93.5 | Very high | 37 Ų | 37 | 41 Ų | 41 | 20% | 0.198 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -58 | -29.5 | -178.5 | -70.1 | -19.7 | 0 | 0 | 0 | 113.2 | L644 H689 N787 | L644-D789 VanDerWaalsContact CA-O 3.3Å; L644-D789 WeakPolarHBondContact CA-O 3.44Å; L644-D789 HydrophobicContact CD1-CB 4.2Å; L644-D789 PolarHBondContact N-O 2.8Å; H689-D789 IonicContact CE1-OD1 2.9Å; H689-D789 IonicContact CE1-OD2 3.56Å; H689-D789 PolarHBondContact CE1-OD2 2.93Å; H689-D789 IonicContact CG-OD2 3.86Å; H689-D789 IonicContact ND1-OD1 3.95Å; H689-D789 IonicContact ND1-OD2 3.14Å; H689-D789 PolarHBondContact ND1-OD2 2.72Å; N787-D789 VanDerWaalsContact C-N 3.29Å; N787-D789 PolarHBondContact O-N 3.49Å; N787-D789 PolarHBondContact OD1-N 2.99Å |
| 790 | Y | 95.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 9% | 0.09 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -99.5 | -4 | -176.5 | -52.8 | -25.4 | 0 | 0 | 0 | 112.6 | N643 L644 T690 P692 H785 N787 E788 | N643-Y790 WeakPolarHBondContact CB-O 3.48Å; N643-Y790 PolarHBondContact ND2-O 2.82Å; L644-Y790 HydrophobicContact CB-CD1 4.29Å; L644-Y790 HydrophobicContact CD2-CE1 4.26Å; T690-Y790 WeakPolarHBondContact O-CE1 3.36Å; T690-Y790 PolarHBondContact O-OH 3.12Å; P692-Y790 HydrophobicContact CB-CD2 4.26Å; P692-Y790 HydrophobicContact CB-CE2 4.06Å; P692-Y790 HydrophobicContact CG-CD1 3.68Å; P692-Y790 HydrophobicContact CG-CD2 3.9Å; P692-Y790 HydrophobicContact CG-CE1 3.69Å; P692-Y790 HydrophobicContact CG-CE2 3.91Å; P692-Y790 HydrophobicContact CG-CG 3.81Å; H785-Y790 AromaticContact CE1-CD2 3.58Å; H785-Y790 AromaticContact ND1-CD2 3.81Å; N787-Y790 HydrophobicContact CB-CD2 3.81Å; N787-Y790 HydrophobicContact CB-CE2 4.15Å; N787-Y790 HydrophobicContact CB-CG 4.39Å; N787-Y790 WeakPolarHBondContact ND2-CE2 3.47Å; N787-Y790 PolarHBondContact O-N 2.83Å; E788-Y790 PolarHBondContact O-N 3.18Å; E788-Y790 VanDerWaalsContact O-N 3.13Å |
| 791 | R | 95.9 | Very high | 93.3 | Very high | 56 Ų | 56 | 42 Ų | 42 | 21% | 0.211 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -78.4 | 139.8 | -179.9 | -168.7 | -179.3 | -61.8 | 156.5 | 5.1 | 110.3 | R647 H785 D786 N787 E788 L793 C795 | R647-R791 PolarHBondContact NH2-O 3.24Å; H785-R791 HydrophobicContact CB-CB 4.47Å; H785-R791 PolarHBondContact O-NE 2.9Å; H785-R791 PolarHBondContact O-NH2 2.95Å; D786-R791 PolarHBondContact O-NH2 2.96Å; N787-R791 PolarHBondContact O-N 3.42Å; E788-R791 VanDerWaalsContact O-CB 3.31Å; E788-R791 WeakPolarHBondContact O-CB 3.37Å; E788-R791 PolarHBondContact O-N 2.52Å; R791-L793 PolarHBondContact O-N 3.13Å; R791-C795 HydrophobicContact CG-CB 3.82Å |
| 792 | G | 95.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | -56.6 | 135.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N643 H780 E781 L783 K794 C795 | N643-G792 WeakPolarHBondContact ND2-CA 3.42Å; N643-G792 PolarHBondContact ND2-N 3.38Å; N643-G792 VanDerWaalsContact ND2-N 3.18Å; H780-G792 WeakPolarHBondContact O-CA 3.49Å; E781-G792 CarbonylContact O-C 3.38Å; E781-G792 VanDerWaalsContact O-C 3.24Å; E781-G792 WeakPolarHBondContact O-CA 3.24Å; L783-G792 PolarHBondContact O-N 3.43Å; G792-K794 PolarHBondContact O-N 2.78Å; G792-C795 VanDerWaalsContact O-CB 3.24Å; G792-C795 WeakPolarHBondContact O-CB 3.48Å; G792-C795 PolarHBondContact O-N 3.23Å | ||
| 793 | L | 92.6 | Very high | 93.3 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 37% | 0.372 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.2 | -175.2 | -73.3 | 170.3 | 0 | 0 | 0 | 113.6 | L646 R647 D650 E781 R791 | L646-L793 HydrophobicContact CB-CD1 4.08Å; R647-L793 HydrophobicContact CB-CD2 4.15Å; R647-L793 HydrophobicContact CG-CD2 4.32Å; D650-L793 HydrophobicContact CB-CD1 4.5Å; E781-L793 PolarHBondContact O-N 3.4Å; R791-L793 PolarHBondContact O-N 3.13Å |
| 794 | K | 92.2 | Very high | 93 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 10.8 | -179.7 | -55.8 | -177 | -168.1 | 151.2 | 0 | 113.2 | E781 V782 G792 G796 T797 Q799 | E781-K794 CarbonylContact O-C 3.38Å; E781-K794 WeakPolarHBondContact O-CA 3.24Å; E781-K794 PolarHBondContact O-N 3.4Å; E781-K794 IonicContact OE2-NZ 2.64Å; E781-K794 PolarHBondContact OE2-NZ 3.42Å; V782-K794 HydrophobicContact CG1-CB 4.34Å; G792-K794 PolarHBondContact O-N 2.78Å; K794-G796 PolarHBondContact O-N 3.28Å; K794-T797 VanDerWaalsContact C-OG1 3.32Å; K794-T797 VanDerWaalsContact CA-OG1 3.31Å; K794-T797 WeakPolarHBondContact CA-OG1 3.47Å; K794-T797 PolarHBondContact O-OG1 3.42Å; K794-Q799 VanDerWaalsContact CD-OE1 3.28Å |
| 795 | C | 95.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -68.5 | 121.2 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | E781 V782 L783 Y784 R791 G792 T797 | E781-C795 PolarHBondContact O-N 2.8Å; V782-C795 PolarHBondContact O-SG 3.04Å; L783-C795 VanDerWaalsContact C-SG 3.58Å; Y784-C795 VanDerWaalsContact CA-SG 3.58Å; Y784-C795 PolarHBondContact N-SG 3.48Å; R791-C795 HydrophobicContact CG-CB 3.82Å; G792-C795 VanDerWaalsContact O-CB 3.24Å; G792-C795 WeakPolarHBondContact O-CB 3.48Å; G792-C795 PolarHBondContact O-N 3.23Å; C795-T797 PolarHBondContact O-N 3.37Å; C795-T797 VanDerWaalsContact O-N 3.15Å |
| 796 | G | 90.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 24% | 0.237 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 4.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K794 V826 V827 | K794-G796 PolarHBondContact O-N 3.28Å; G796-V826 VanDerWaalsContact C-CG1 3.43Å; G796-V826 VanDerWaalsContact O-CG1 3.3Å; G796-V826 WeakPolarHBondContact O-CG1 3.22Å; G796-V827 PolarHBondContact N-O 2.98Å |
| 797 | T | 89.6 | Confident | 92 | Very high | 67 Ų | 67 | 42.7 Ų | 42.7 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -100.9 | 150.6 | 176.1 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | K794 C795 | K794-T797 VanDerWaalsContact C-OG1 3.32Å; K794-T797 VanDerWaalsContact CA-OG1 3.31Å; K794-T797 WeakPolarHBondContact CA-OG1 3.47Å; K794-T797 PolarHBondContact O-OG1 3.42Å; C795-T797 PolarHBondContact O-N 3.37Å; C795-T797 VanDerWaalsContact O-N 3.15Å |
| 798 | A | 90.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 141.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L565 V825 V826 D1209 | L565-A798 HydrophobicContact CD1-CB 4.07Å; A798-V825 WeakPolarHBondContact CA-O 3.38Å; A798-V826 HydrophobicContact CB-CG2 4.21Å; A798-D1209 VanDerWaalsContact CB-OD2 3.28Å; A798-D1209 WeakPolarHBondContact CB-OD2 3.48Å |
| 799 | Q | 90.8 | Very high | 90.5 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 147.4 | 176.2 | 58.3 | 178.4 | -46 | 0 | 0 | 110.7 | K794 I801 R824 V825 | K794-Q799 VanDerWaalsContact CD-OE1 3.28Å; Q799-I801 HydrophobicContact CG-CD1 4.32Å; Q799-I801 HydrophobicContact CG-CG1 4.37Å; Q799-R824 WeakPolarHBondContact O-CA 3.2Å; Q799-V825 HydrophobicContact CG-CG2 3.9Å; Q799-V825 PolarHBondContact N-O 2.85Å; Q799-V825 PolarHBondContact O-N 3.46Å |
| 800 | T | 93.7 | Very high | 89.3 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 23% | 0.233 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.3 | 176.6 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | Q822 L823 P1212 | T800-Q822 HydrophobicContact CG2-CG 3.52Å; T800-L823 CarbonylContact C-O 3.58Å; T800-L823 VanDerWaalsContact CA-O 3.32Å; T800-L823 WeakPolarHBondContact CA-O 3.33Å; T800-P1212 HydrophobicContact CG2-CG 3.79Å; T800-P1212 VanDerWaalsContact OG1-CD 3.25Å; T800-P1212 WeakPolarHBondContact OG1-CD 3.05Å |
| 801 | I | 94.3 | Very high | 88.1 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.5 | -173.7 | -60.9 | 179.2 | 0 | 0 | 0 | 109.4 | I763 H775 I777 Q799 L803 Q822 L823 V825 | I763-I801 HydrophobicContact CD1-CD1 4.17Å; H775-I801 HydrophobicContact CB-CG2 3.74Å; H775-I801 VanDerWaalsContact CD2-CG2 3.47Å; H775-I801 WeakPolarHBondContact CD2-CG2 3.15Å; H775-I801 VanDerWaalsContact ND1-CG2 3.35Å; H775-I801 WeakPolarHBondContact ND1-CG2 3.19Å; I777-I801 HydrophobicContact CD1-CD1 3.63Å; I777-I801 HydrophobicContact CG1-CD1 4.32Å; Q799-I801 HydrophobicContact CG-CD1 4.32Å; Q799-I801 HydrophobicContact CG-CG1 4.37Å; I801-L803 HydrophobicContact CG2-CD2 4.41Å; I801-Q822 WeakPolarHBondContact O-CA 3.32Å; I801-L823 PolarHBondContact N-O 3.18Å; I801-L823 PolarHBondContact O-N 3.45Å; I801-V825 HydrophobicContact CD1-CG2 3.65Å; I801-V825 HydrophobicContact CG1-CG2 4.3Å |
| 802 | N | 94.4 | Very high | 86.5 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.2 | 169.2 | -62.3 | -37.5 | 0 | 0 | 0 | 109.3 | H775 I819 Q822 Q1233 | H775-N802 PolarHBondContact ND1-O 3.07Å; N802-I819 HydrophobicContact CB-CD1 4.14Å; N802-I819 HydrophobicContact CB-CG2 4.01Å; N802-Q822 WeakPolarHBondContact OD1-CG 3.48Å; N802-Q822 PolarHBondContact OD1-NE2 2.84Å; N802-Q1233 PolarHBondContact ND2-OE1 2.69Å; N802-Q1233 VanDerWaalsContact ND2-OE1 3.14Å |
| 803 | L | 94.9 | Very high | 84.9 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | trans | -75.4 | 160.6 | 176 | -58.9 | -170 | 0 | 0 | 0 | 111.2 | F580 M765 A773 H775 I801 P820 A821 L823 | F580-L803 HydrophobicContact CD1-CD1 4.4Å; F580-L803 HydrophobicContact CE1-CD1 3.94Å; M765-L803 HydrophobicContact CB-CD1 3.64Å; M765-L803 HydrophobicContact CG-CD1 4.4Å; M765-L803 HydrophobicContact SD-CD1 4.28Å; A773-L803 HydrophobicContact CB-CB 4.05Å; A773-L803 HydrophobicContact CB-CD1 4.34Å; H775-L803 HydrophobicContact CB-CD2 3.72Å; I801-L803 HydrophobicContact CG2-CD2 4.41Å; L803-P820 VanDerWaalsContact O-CD 3.26Å; L803-P820 WeakPolarHBondContact O-CD 3.38Å; L803-A821 HydrophobicContact CD1-CB 4.01Å; L803-A821 HydrophobicContact CG-CB 4.38Å; L803-A821 PolarHBondContact N-O 3.36Å; L803-L823 HydrophobicContact CD1-CD1 4.17Å; L803-L823 HydrophobicContact CD1-CG 4.48Å; L803-L823 HydrophobicContact CD2-CD1 3.9Å; L803-L823 HydrophobicContact CD2-CG 4.4Å; L803-L823 HydrophobicContact CG-CD1 4.23Å; L803-L823 HydrophobicContact CG-CG 4.34Å | ||
| 804 | K | 91.2 | Very high | 83.6 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 35% | 0.352 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -137 | 156.1 | 175.5 | 57.5 | 179.2 | 176.6 | 175 | 0 | 111.8 | A773 Y774 | A773-K804 CarbonylContact C-O 3.55Å; A773-K804 VanDerWaalsContact CA-O 3.29Å; A773-K804 WeakPolarHBondContact CA-O 3.48Å; A773-K804 WeakPolarHBondContact CB-O 3.41Å; Y774-K804 HydrophobicContact CD1-CG 4.43Å; Y774-K804 WeakPolarHBondContact CD1-O 3.47Å; Y774-K804 HydrophobicContact CE1-CG 4Å; Y774-K804 PolarHBondContact N-O 2.97Å; Y774-K804 WeakPolarHBondContact O-CG 3.42Å; Y774-K804 PolarHBondContact O-N 3.44Å; Y774-K804 VanDerWaalsContact OH-CE 3.26Å; Y774-K804 WeakPolarHBondContact OH-CE 3.23Å |
| 805 | K | 89.4 | Confident | 81.9 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 27% | 0.265 | 32% | 0.315 | S | S | . | . | trans | -83.4 | 153.7 | 174 | -62.6 | 178.3 | -166.5 | 155.1 | 0 | 110.5 | T807 E816 P820 | K805-T807 PolarHBondContact O-N 3.24Å; K805-E816 WeakPolarHBondContact CD-OE2 3.5Å; K805-E816 IonicContact NZ-OE1 2.74Å; K805-E816 IonicContact NZ-OE2 3.78Å; K805-E816 PolarHBondContact NZ-OE2 2.65Å; K805-P820 HydrophobicContact CG-CG 3.94Å | ||
| 806 | P | 87.4 | Confident | 80.7 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | trans | -61.7 | 126.7 | 168.2 | -21.6 | 33.8 | 0 | 0 | 0 | 111.6 | P494 Y504 V515 Y774 | P494-P806 HydrophobicContact CG-CB 4.25Å; P494-P806 HydrophobicContact CG-CG 3.95Å; Y504-P806 HydrophobicContact CD1-CB 4.24Å; Y504-P806 HydrophobicContact CE1-CB 3.8Å; Y504-P806 VanDerWaalsContact CE1-O 3.24Å; Y504-P806 WeakPolarHBondContact CE1-O 3.5Å; Y504-P806 HydrophobicContact CE2-CB 4.24Å; Y504-P806 PolarHBondContact OH-O 2.84Å; V515-P806 HydrophobicContact CG1-CB 4.12Å; V515-P806 HydrophobicContact CG2-CB 4.3Å; V515-P806 HydrophobicContact CG2-CG 4.35Å; Y774-P806 HydrophobicContact CD1-CG 4.2Å; Y774-P806 HydrophobicContact CE1-CG 4.3Å | ||
| 807 | T | 83.3 | Confident | 80.1 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 37% | 0.368 | 34% | 0.339 | S | S | . | . | trans | -132.2 | 147 | -178.5 | 35.3 | 0 | 0 | 0 | 0 | 111.4 | K805 | K805-T807 PolarHBondContact O-N 3.24Š| ||
| 808 | L | 80.3 | Confident | 79.9 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | trans | -95.8 | 154.4 | 171.4 | -64.5 | 176.5 | 0 | 0 | 0 | 110 | K503 Y504 A506 L507 K810 D811 E812 | K503-L808 WeakPolarHBondContact O-CD1 3.3Å; Y504-L808 HydrophobicContact CD1-CD2 4.17Å; Y504-L808 HydrophobicContact CD1-CG 4.1Å; A506-L808 HydrophobicContact CB-CD2 4.15Å; L507-L808 HydrophobicContact CD2-CD2 3.85Å; L507-L808 HydrophobicContact CG-CD2 3.8Å; L808-K810 HydrophobicContact CB-CG 4.07Å; L808-K810 VanDerWaalsContact CD1-CE 3.47Å; L808-K810 PolarHBondContact O-N 3.22Å; L808-K810 VanDerWaalsContact O-N 3.12Å; L808-D811 WeakPolarHBondContact O-CA 3.47Å; L808-D811 WeakPolarHBondContact O-CB 3.32Å; L808-D811 PolarHBondContact O-N 3.39Å; L808-E812 PolarHBondContact O-N 2.94Å | ||
| 809 | L | 70.8 | Confident | 79.8 | Confident | 94 Ų | 94 | 69.3 Ų | 69.3 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -49.5 | -40 | 176.9 | -84.4 | 153 | 0 | 0 | 0 | 113.5 | K511 D811 E812 | K511-L809 VanDerWaalsContact C-CD1 3.48Å; K511-L809 HydrophobicContact CB-CD1 4.48Å; L809-D811 PolarHBondContact O-N 2.88Å; L809-E812 PolarHBondContact O-N 3.35Å |
| 810 | K | 68.4 | Low | 79.8 | Confident | 163 Ų | 163 | 69 Ų | 69 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -65.8 | -22.6 | 177.2 | 68.3 | -176.8 | -179 | -171.4 | 0 | 114.1 | L808 | L808-K810 HydrophobicContact CB-CG 4.07Å; L808-K810 VanDerWaalsContact CD1-CE 3.47Å; L808-K810 PolarHBondContact O-N 3.22Å; L808-K810 VanDerWaalsContact O-N 3.12Å |
| 811 | D | 68.7 | Low | 79.8 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -98.9 | -11.7 | -177.2 | -65.4 | -56.3 | 0 | 0 | 0 | 112.4 | L808 L809 K813 K814 | L808-D811 WeakPolarHBondContact O-CA 3.47Å; L808-D811 WeakPolarHBondContact O-CB 3.32Å; L808-D811 PolarHBondContact O-N 3.39Å; L809-D811 PolarHBondContact O-N 2.88Å; D811-K813 PolarHBondContact O-N 3.28Å; D811-K813 VanDerWaalsContact O-N 3.1Å; D811-K814 HydrophobicContact CB-CD 4.37Å; D811-K814 WeakPolarHBondContact O-CB 2.97Å; D811-K814 PolarHBondContact O-N 3.39Å; D811-K814 WeakPolarHBondContact OD1-CE 3.45Å; D811-K814 IonicContact OD1-NZ 3.87Å; D811-K814 PolarHBondContact OD1-NZ 3.14Å |
| 812 | E | 63.6 | Low | 79.8 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.2 | -179.3 | -72.4 | -170.1 | 161 | 0 | 0 | 113.7 | L808 L809 K814 | L808-E812 PolarHBondContact O-N 2.94Å; L809-E812 PolarHBondContact O-N 3.35Å; E812-K814 VanDerWaalsContact C-N 3.33Å |
| 813 | K | 61.7 | Low | 79.9 | Confident | 189 Ų | 189 | 65.6 Ų | 65.6 | 82% | 0.822 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.8 | 175.5 | -64.4 | -175.1 | -179.6 | 178.4 | 0 | 113.6 | D811 | D811-K813 PolarHBondContact O-N 3.28Å; D811-K813 VanDerWaalsContact O-N 3.1Å |
| 814 | K | 64.5 | Low | 79.9 | Confident | 131 Ų | 131 | 65.9 Ų | 65.9 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -75 | 136.7 | 176 | -74.2 | 177 | 175.1 | 161.9 | 0 | 110.2 | D811 E812 E816 | D811-K814 HydrophobicContact CB-CD 4.37Å; D811-K814 WeakPolarHBondContact O-CB 2.97Å; D811-K814 PolarHBondContact O-N 3.39Å; D811-K814 WeakPolarHBondContact OD1-CE 3.45Å; D811-K814 IonicContact OD1-NZ 3.87Å; D811-K814 PolarHBondContact OD1-NZ 3.14Å; E812-K814 VanDerWaalsContact C-N 3.33Å; K814-E816 VanDerWaalsContact C-N 3.27Å; K814-E816 PolarHBondContact O-N 2.93Å |
| 815 | P | 58.2 | Low | 80.1 | Confident | 103 Ų | 103 | 62 Ų | 62 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | trans | -77.9 | 72.3 | -176.7 | 32.1 | -35.2 | 0 | 0 | 0 | 111.6 | ||||
| 816 | E | 68.7 | Low | 80.4 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 58% | 0.575 | 29% | 0.286 | S | S | * | . | trans | -94.4 | 105.7 | 162.9 | -75.3 | -157.4 | -176.2 | 0 | 0 | 109.7 | K805 K814 | K805-E816 WeakPolarHBondContact CD-OE2 3.5Å; K805-E816 IonicContact NZ-OE1 2.74Å; K805-E816 IonicContact NZ-OE2 3.78Å; K805-E816 PolarHBondContact NZ-OE2 2.65Å; K814-E816 VanDerWaalsContact C-N 3.27Å; K814-E816 PolarHBondContact O-N 2.93Å | ||
| 817 | W | 78.8 | Confident | 80.8 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 24% | 0.242 | 28% | 0.283 | C | S | . | . | trans | -99.7 | -14.9 | -179.1 | 61.5 | -96.6 | 0 | 0 | 0 | 113.9 | F1218 F1228 R1231 | W817-F1218 HydrophobicContact CE3-CE1 4.47Å; W817-F1218 HydrophobicContact CE3-CZ 4.44Å; W817-F1218 AromaticContact CH2-CE1 3.46Å; W817-F1218 HydrophobicContact CH2-CE1 3.46Å; W817-F1218 VanDerWaalsContact CH2-CE1 3.46Å; W817-F1218 AromaticContact CH2-CZ 3.55Å; W817-F1218 HydrophobicContact CH2-CZ 3.55Å; W817-F1218 AromaticContact CZ2-CE1 3.81Å; W817-F1218 HydrophobicContact CZ2-CE1 3.81Å; W817-F1218 HydrophobicContact CZ2-CZ 4.35Å; W817-F1218 AromaticContact CZ3-CE1 3.83Å; W817-F1218 HydrophobicContact CZ3-CE1 3.83Å; W817-F1218 AromaticContact CZ3-CZ 3.59Å; W817-F1218 HydrophobicContact CZ3-CZ 3.59Å; W817-F1228 HydrophobicContact CB-CB 4.44Å; W817-F1228 HydrophobicContact CB-CD1 3.36Å; W817-F1228 HydrophobicContact CB-CD2 4.49Å; W817-F1228 HydrophobicContact CB-CE1 3.56Å; W817-F1228 HydrophobicContact CB-CG 3.86Å; W817-F1228 HydrophobicContact CB-CZ 4.2Å; W817-F1228 HydrophobicContact CD2-CB 3.69Å; W817-F1228 HydrophobicContact CD2-CD1 4.11Å; W817-F1228 AromaticContact CD2-CD2 3.83Å; W817-F1228 HydrophobicContact CD2-CD2 3.83Å; W817-F1228 HydrophobicContact CD2-CE2 4.46Å; W817-F1228 AromaticContact CD2-CG 3.61Å; W817-F1228 HydrophobicContact CD2-CG 3.61Å; W817-F1228 HydrophobicContact CE3-CB 4.27Å; W817-F1228 HydrophobicContact CE3-CD1 4.48Å; W817-F1228 AromaticContact CE3-CD2 3.56Å; W817-F1228 HydrophobicContact CE3-CD2 3.56Å; W817-F1228 AromaticContact CE3-CE2 3.91Å; W817-F1228 HydrophobicContact CE3-CE2 3.91Å; W817-F1228 AromaticContact CE3-CG 3.86Å; W817-F1228 HydrophobicContact CE3-CG 3.86Å; W817-F1228 HydrophobicContact CE3-CZ 4.49Å; W817-F1228 HydrophobicContact CG-CB 3.73Å; W817-F1228 AromaticContact CG-CD1 3.62Å; W817-F1228 HydrophobicContact CG-CD1 3.62Å; W817-F1228 HydrophobicContact CG-CD2 4.24Å; W817-F1228 HydrophobicContact CG-CE1 4.24Å; W817-F1228 AromaticContact CG-CG 3.6Å; W817-F1228 HydrophobicContact CG-CG 3.6Å; W817-F1228 HydrophobicContact CZ2-CB 4.4Å; W817-F1228 HydrophobicContact CZ3-CD2 4.09Å; W817-R1231 PolarHBondContact O-NH2 3.43Å | ||
| 818 | K | 84.5 | Confident | 81.4 | Confident | 76 Ų | 76 | 56.2 Ų | 56.2 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | -76.6 | 134.5 | -173.9 | -67.1 | -170.8 | 179.4 | -164.2 | 0 | 111.7 | E571 | E571-K818 VanDerWaalsContact CD-CD 3.49Å; E571-K818 HydrophobicContact CG-CD 4.27Å; E571-K818 WeakPolarHBondContact OE1-CD 3.24Å; E571-K818 IonicContact OE1-NZ 3.94Å; E571-K818 PolarHBondContact OE1-NZ 3.33Å; E571-K818 VanDerWaalsContact OE1-NZ 3.1Å | ||
| 819 | I | 87.6 | Confident | 82.3 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | trans | -84.4 | 126.2 | 171.4 | -60 | 178 | 0 | 0 | 0 | 108.2 | N802 A821 M1214 | N802-I819 HydrophobicContact CB-CD1 4.14Å; N802-I819 HydrophobicContact CB-CG2 4.01Å; I819-A821 VanDerWaalsContact CG2-O 3.3Å; I819-A821 WeakPolarHBondContact CG2-O 3.39Å; I819-M1214 HydrophobicContact CD1-CE 4.33Å | ||
| 820 | P | 91.4 | Very high | 83.4 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -62.3 | -41.6 | 177.4 | -25 | 35.1 | 0 | 0 | 0 | 113.9 | I570 E571 M765 A773 L803 K805 | I570-P820 WeakPolarHBondContact CA-O 3.48Å; E571-P820 PolarHBondContact N-O 2.86Å; M765-P820 HydrophobicContact SD-CB 4.41Å; A773-P820 HydrophobicContact CB-CB 3.64Å; A773-P820 HydrophobicContact CB-CG 3.86Å; L803-P820 VanDerWaalsContact O-CD 3.26Å; L803-P820 WeakPolarHBondContact O-CD 3.38Å; K805-P820 HydrophobicContact CG-CG 3.94Å |
| 821 | A | 93.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -163.2 | 151.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I570 M765 L803 I819 | I570-A821 HydrophobicContact CG1-CB 3.91Å; M765-A821 HydrophobicContact CE-CB 4.36Å; M765-A821 HydrophobicContact SD-CB 4.07Å; L803-A821 HydrophobicContact CD1-CB 4.01Å; L803-A821 HydrophobicContact CG-CB 4.38Å; L803-A821 PolarHBondContact N-O 3.36Å; I819-A821 VanDerWaalsContact CG2-O 3.3Å; I819-A821 WeakPolarHBondContact CG2-O 3.39Å | ||
| 822 | Q | 95.2 | Very high | 85.7 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129 | 168.3 | 178.8 | 173.1 | 90.5 | 0 | 0 | 109.3 | A567 T568 M569 T800 I801 N802 M1214 | A567-Q822 WeakPolarHBondContact CA-O 3.31Å; T568-Q822 PolarHBondContact N-O 2.85Å; T568-Q822 PolarHBondContact O-N 2.99Å; M569-Q822 HydrophobicContact CB-CB 3.93Å; M569-Q822 HydrophobicContact CG-CB 4.19Å; T800-Q822 HydrophobicContact CG2-CG 3.52Å; I801-Q822 WeakPolarHBondContact O-CA 3.32Å; N802-Q822 WeakPolarHBondContact OD1-CG 3.48Å; N802-Q822 PolarHBondContact OD1-NE2 2.84Å; Q822-M1214 PolarHBondContact NE2-SD 3.31Å |
| 823 | L | 96.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.3 | -179.6 | -54 | -177.4 | 0 | 0 | 0 | 109.9 | F564 A567 F580 I763 T800 I801 L803 V825 | F564-L823 HydrophobicContact CE1-CD1 4.23Å; A567-L823 HydrophobicContact CB-CD2 3.61Å; F580-L823 HydrophobicContact CD1-CD1 3.96Å; F580-L823 HydrophobicContact CD1-CD2 4.22Å; F580-L823 HydrophobicContact CD2-CD2 4.28Å; F580-L823 HydrophobicContact CE1-CD1 4.05Å; F580-L823 HydrophobicContact CE1-CD2 3.62Å; F580-L823 HydrophobicContact CE1-CG 4.38Å; F580-L823 HydrophobicContact CE2-CD2 3.67Å; F580-L823 HydrophobicContact CG-CD1 4.39Å; F580-L823 HydrophobicContact CZ-CD2 3.33Å; I763-L823 HydrophobicContact CG2-CD1 3.81Å; T800-L823 CarbonylContact C-O 3.58Å; T800-L823 VanDerWaalsContact CA-O 3.32Å; T800-L823 WeakPolarHBondContact CA-O 3.33Å; I801-L823 PolarHBondContact N-O 3.18Å; I801-L823 PolarHBondContact O-N 3.45Å; L803-L823 HydrophobicContact CD1-CD1 4.17Å; L803-L823 HydrophobicContact CD1-CG 4.48Å; L803-L823 HydrophobicContact CD2-CD1 3.9Å; L803-L823 HydrophobicContact CD2-CG 4.4Å; L803-L823 HydrophobicContact CG-CD1 4.23Å; L803-L823 HydrophobicContact CG-CG 4.34Å; L823-V825 HydrophobicContact CB-CG1 4.09Å |
| 824 | R | 94.7 | Very high | 88.3 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 117.2 | 163.9 | -163.8 | 170 | -170.8 | -150.2 | -0.3 | 109 | L565 S566 Q799 D1209 | L565-R824 HydrophobicContact CB-CB 4.39Å; L565-R824 HydrophobicContact CB-CG 4.46Å; L565-R824 WeakPolarHBondContact CB-O 3.24Å; L565-R824 HydrophobicContact CD1-CG 4.36Å; L565-R824 PolarHBondContact N-O 3.29Å; S566-R824 PolarHBondContact N-O 3.43Å; S566-R824 PolarHBondContact O-N 3.04Å; S566-R824 WeakPolarHBondContact OG-CB 3.38Å; Q799-R824 WeakPolarHBondContact O-CA 3.2Å; R824-D1209 IonicContact CZ-OD2 3.88Å; R824-D1209 PolarHBondContact NH2-O 3.14Å; R824-D1209 IonicContact NH2-OD2 3.09Å; R824-D1209 PolarHBondContact NH2-OD2 3.35Å |
| 825 | V | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153 | -170.4 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | V562 A563 F564 A798 Q799 I801 L823 V827 | V562-V825 HydrophobicContact CG1-CB 4.15Å; V562-V825 HydrophobicContact CG1-CG1 4.28Å; A563-V825 CarbonylContact O-C 3.56Å; A563-V825 VanDerWaalsContact O-CA 3.23Å; A563-V825 WeakPolarHBondContact O-CA 3.42Å; F564-V825 HydrophobicContact CD1-CG1 3.7Å; F564-V825 HydrophobicContact CE1-CG1 4.06Å; F564-V825 HydrophobicContact CG-CG1 4.22Å; A798-V825 WeakPolarHBondContact CA-O 3.38Å; Q799-V825 HydrophobicContact CG-CG2 3.9Å; Q799-V825 PolarHBondContact N-O 2.85Å; Q799-V825 PolarHBondContact O-N 3.46Å; I801-V825 HydrophobicContact CD1-CG2 3.65Å; I801-V825 HydrophobicContact CG1-CG2 4.3Å; L823-V825 HydrophobicContact CB-CG1 4.09Å; V825-V827 HydrophobicContact CB-CG2 4.32Å; V825-V827 HydrophobicContact CG2-CG2 3.82Å |
| 826 | V | 94.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.048 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.5 | 163.2 | -172 | 0 | 0 | 0 | 0 | 106.9 | V562 A563 L565 G796 A798 W838 | V562-V826 CarbonylContact C-O 3.54Å; V562-V826 VanDerWaalsContact CA-O 3.31Å; V562-V826 WeakPolarHBondContact CA-O 3.45Å; A563-V826 HydrophobicContact CB-CB 4.33Å; A563-V826 PolarHBondContact N-O 3.33Å; A563-V826 PolarHBondContact O-N 2.87Å; L565-V826 HydrophobicContact CD1-CG2 3.83Å; L565-V826 HydrophobicContact CD2-CG2 4.32Å; L565-V826 HydrophobicContact CG-CG2 4.16Å; G796-V826 VanDerWaalsContact C-CG1 3.43Å; G796-V826 VanDerWaalsContact O-CG1 3.3Å; G796-V826 WeakPolarHBondContact O-CG1 3.22Å; A798-V826 HydrophobicContact CB-CG2 4.21Å; V826-W838 HydrophobicContact CB-CH2 4.35Å; V826-W838 HydrophobicContact CB-CZ3 4.45Å; V826-W838 HydrophobicContact CG1-CH2 4.22Å; V826-W838 HydrophobicContact CG1-CZ3 3.86Å |
| 827 | V | 97 | Very high | 91.5 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.7 | -175.7 | -176.5 | 0 | 0 | 0 | 0 | 109 | L560 V562 I761 I777 V782 G796 V825 | L560-V827 HydrophobicContact CD1-CG1 3.93Å; V562-V827 HydrophobicContact CG1-CG2 4.1Å; V562-V827 HydrophobicContact CG2-CG1 4.16Å; V562-V827 HydrophobicContact CG2-CG2 4.28Å; I761-V827 HydrophobicContact CD1-CG1 4.35Å; I777-V827 HydrophobicContact CD1-CG2 4.24Å; V782-V827 HydrophobicContact CB-CB 4.23Å; V782-V827 HydrophobicContact CB-CG1 3.79Å; V782-V827 HydrophobicContact CG1-CB 3.83Å; V782-V827 HydrophobicContact CG1-CG1 3.78Å; V782-V827 HydrophobicContact CG2-CG1 3.76Å; G796-V827 PolarHBondContact N-O 2.98Å; V825-V827 HydrophobicContact CB-CG2 4.32Å; V825-V827 HydrophobicContact CG2-CG2 3.82Å |
| 828 | W | 96.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.6 | 175.8 | -178.2 | 100.7 | 0 | 0 | 0 | 109.2 | Q559 L560 Y561 Y784 D834 W838 | Q559-W828 HydrophobicContact CB-CZ3 4.29Å; Q559-W828 WeakPolarHBondContact O-CZ3 3.49Å; L560-W828 CarbonylContact C-O 3.5Å; L560-W828 WeakPolarHBondContact CA-O 3.44Å; Y561-W828 AromaticContact CD2-CE3 3.77Å; Y561-W828 HydrophobicContact CD2-CE3 3.77Å; Y561-W828 HydrophobicContact CD2-CZ3 4.08Å; Y561-W828 HydrophobicContact CE2-CE3 4.47Å; Y561-W828 HydrophobicContact CE2-CZ3 4.35Å; Y561-W828 PolarHBondContact N-O 3.07Å; Y561-W828 PolarHBondContact O-N 3.33Å; Y784-W828 AromaticContact CD1-CZ2 3.92Å; Y784-W828 HydrophobicContact CD1-CZ2 3.92Å; Y784-W828 HydrophobicContact CD2-CZ2 4.34Å; Y784-W828 AromaticContact CD2-NE1 3.23Å; Y784-W828 AromaticContact CG-CE2 3.73Å; Y784-W828 AromaticContact CG-CZ2 3.69Å; Y784-W828 HydrophobicContact CG-CZ2 3.69Å; Y784-W828 AromaticContact CG-NE1 3.38Å; W828-D834 HydrophobicContact CZ2-CB 4.37Å; W828-D834 WeakPolarHBondContact CZ2-O 3.49Å; W828-W838 HydrophobicContact CB-CD2 4.26Å; W828-W838 HydrophobicContact CB-CE3 3.3Å; W828-W838 HydrophobicContact CB-CZ3 3.67Å; W828-W838 HydrophobicContact CD2-CB 4.02Å; W828-W838 HydrophobicContact CE3-CB 4.42Å; W828-W838 HydrophobicContact CG-CB 4.2Å; W828-W838 AromaticContact CG-CE3 3.82Å; W828-W838 HydrophobicContact CG-CE3 3.82Å |
| 829 | F | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.4 | 176.8 | 178 | -118 | 0 | 0 | 0 | 109.2 | Y558 L560 I584 W632 I758 I761 A779 V782 L783 Y784 | Y558-F829 AromaticContact CD1-CE1 3.95Å; Y558-F829 HydrophobicContact CD1-CE1 3.95Å; Y558-F829 AromaticContact CD1-CE2 3.95Å; Y558-F829 HydrophobicContact CD1-CE2 3.95Å; 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 4.29Å; Y558-F829 HydrophobicContact CG-CE2 4.1Å; Y558-F829 AromaticContact CG-CZ 3.88Å; Y558-F829 HydrophobicContact CG-CZ 3.88Å; L560-F829 HydrophobicContact CB-CD2 4.01Å; L560-F829 HydrophobicContact CD1-CB 4.12Å; L560-F829 HydrophobicContact CD1-CD2 4.42Å; I584-F829 HydrophobicContact CD1-CD2 4.32Å; I584-F829 HydrophobicContact CD1-CE1 4.34Å; I584-F829 HydrophobicContact CD1-CE2 3.68Å; I584-F829 HydrophobicContact CD1-CZ 3.69Å; W632-F829 AromaticContact CD1-CZ 3.89Å; I758-F829 HydrophobicContact CD1-CE1 4.17Å; I758-F829 HydrophobicContact CD1-CZ 4.5Å; I758-F829 HydrophobicContact CG2-CE1 3.9Å; I758-F829 HydrophobicContact CG2-CZ 3.92Å; I761-F829 HydrophobicContact CD1-CB 4.29Å; A779-F829 HydrophobicContact CB-CD1 4.15Å; A779-F829 HydrophobicContact CB-CE1 4.06Å; V782-F829 HydrophobicContact CG2-CB 4.08Å; V782-F829 PolarHBondContact O-N 3.04Å; L783-F829 CarbonylContact C-O 3.51Å; L783-F829 VanDerWaalsContact CA-O 3.27Å; L783-F829 WeakPolarHBondContact CA-O 3.25Å; L783-F829 HydrophobicContact CD1-CD1 3.65Å; L783-F829 HydrophobicContact CD1-CE1 3.91Å; Y784-F829 PolarHBondContact N-O 2.98Å |
| 830 | G | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y558 Q559 | Y558-G830 CarbonylContact C-O 3.57Å; Y558-G830 VanDerWaalsContact CA-O 3.26Å; Y558-G830 WeakPolarHBondContact CA-O 3.47Å; Y558-G830 VanDerWaalsContact CD1-C 3.49Å; Y558-G830 WeakPolarHBondContact CD1-O 3.39Å; Q559-G830 PolarHBondContact N-O 3.11Å; Q559-G830 PolarHBondContact O-N 3.28Å; Q559-G830 VanDerWaalsContact O-N 3.08Å |
| 831 | L | 94.4 | Very high | 90.7 | Very high | 16 Ų | 16 | 29 Ų | 29 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 146.5 | 176.4 | -68.3 | 168.4 | 0 | 0 | 0 | 110.3 | R556 Y558 K833 D834 | R556-L831 HydrophobicContact CB-CD2 3.69Å; R556-L831 HydrophobicContact CG-CD2 4.44Å; Y558-L831 HydrophobicContact CD1-CD2 4.2Å; Y558-L831 HydrophobicContact CD1-CG 4.5Å; Y558-L831 HydrophobicContact CD2-CD2 4.02Å; Y558-L831 HydrophobicContact CE1-CD2 3.74Å; Y558-L831 HydrophobicContact CE1-CG 3.98Å; Y558-L831 HydrophobicContact CE2-CD2 3.56Å; Y558-L831 HydrophobicContact CG-CD2 4.31Å; L831-K833 HydrophobicContact CB-CG 3.86Å; L831-K833 PolarHBondContact O-N 3.21Å; L831-K833 VanDerWaalsContact O-N 3.11Å; L831-D834 PolarHBondContact O-N 3.12Å |
| 832 | E | 90.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 29.9 Ų | 29.9 | 19% | 0.187 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -55 | -32.6 | 179.2 | -176.2 | -172.8 | -130.8 | 0 | 0 | 112.4 | K557 Q559 D834 R835 | K557-E832 HydrophobicContact CB-CB 3.9Å; K557-E832 WeakPolarHBondContact CD-OE2 3.09Å; K557-E832 IonicContact NZ-OE1 3.1Å; K557-E832 PolarHBondContact NZ-OE1 3.01Å; K557-E832 IonicContact NZ-OE2 2.79Å; K557-E832 PolarHBondContact NZ-OE2 2.73Å; K557-E832 PolarHBondContact O-N 3.5Å; Q559-E832 HydrophobicContact CG-CB 4.29Å; Q559-E832 HydrophobicContact CG-CG 4.38Å; E832-D834 VanDerWaalsContact C-N 3.25Å; E832-D834 PolarHBondContact O-N 3.43Å; E832-R835 WeakPolarHBondContact O-CB 3.41Å; E832-R835 VanDerWaalsContact O-CD 3.27Å; E832-R835 WeakPolarHBondContact O-CD 3.32Å; E832-R835 VanDerWaalsContact O-CG 3.26Å; E832-R835 WeakPolarHBondContact O-CG 3.41Å |
| 833 | K | 88.7 | Confident | 88.7 | Confident | 117 Ų | 117 | 35.5 Ų | 35.5 | 51% | 0.509 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -64.7 | -26.8 | 176.4 | 55.9 | 153.4 | -169.7 | 173.4 | 0 | 113.6 | L831 | L831-K833 HydrophobicContact CB-CG 3.86Å; L831-K833 PolarHBondContact O-N 3.21Å; L831-K833 VanDerWaalsContact O-N 3.11Å |
| 834 | D | 91.3 | Very high | 87.7 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -99.6 | 4.9 | -172.1 | -53 | -30.6 | 0 | 0 | 0 | 112.2 | Y784 W828 L831 E832 T836 A837 | Y784-D834 HydrophobicContact CD1-CB 3.67Å; Y784-D834 HydrophobicContact CE1-CB 3.67Å; W828-D834 HydrophobicContact CZ2-CB 4.37Å; W828-D834 WeakPolarHBondContact CZ2-O 3.49Å; L831-D834 PolarHBondContact O-N 3.12Å; E832-D834 VanDerWaalsContact C-N 3.25Å; E832-D834 PolarHBondContact O-N 3.43Å; D834-T836 PolarHBondContact O-N 3.41Å; D834-A837 VanDerWaalsContact O-CB 3.24Å; D834-A837 WeakPolarHBondContact O-CB 3.34Å; D834-A837 PolarHBondContact O-N 2.94Å |
| 835 | R | 85.7 | Confident | 87.1 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -22.9 | 179.2 | 70.7 | -175.2 | -172.5 | 152.6 | 5.7 | 114.8 | E832 A837 W838 T839 E1090 T1091 | E832-R835 WeakPolarHBondContact O-CB 3.41Å; E832-R835 VanDerWaalsContact O-CD 3.27Å; E832-R835 WeakPolarHBondContact O-CD 3.32Å; E832-R835 VanDerWaalsContact O-CG 3.26Å; E832-R835 WeakPolarHBondContact O-CG 3.41Å; R835-A837 PolarHBondContact O-N 2.76Å; R835-W838 WeakPolarHBondContact O-CB 3.15Å; R835-W838 PolarHBondContact O-N 3.17Å; R835-W838 VanDerWaalsContact O-N 3.15Å; R835-T839 PolarHBondContact O-N 2.89Å; R835-T839 PolarHBondContact O-OG1 2.88Å; R835-E1090 PolarHBondContact NH1-O 3.4Å; R835-E1090 IonicContact NH2-OE2 3.51Å; R835-T1091 VanDerWaalsContact CZ-CG2 3.42Å; R835-T1091 VanDerWaalsContact NH2-CG2 3.32Å |
| 836 | T | 85.2 | Confident | 86.5 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 41% | 0.405 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.5 | -31.6 | 177.3 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | D834 W838 T839 E840 | D834-T836 PolarHBondContact O-N 3.41Å; T836-W838 VanDerWaalsContact C-N 3.3Å; T836-W838 PolarHBondContact O-N 3.48Å; T836-T839 WeakPolarHBondContact CA-OG1 3.45Å; T836-T839 PolarHBondContact O-N 3.42Å; T836-T839 VanDerWaalsContact O-N 3.13Å; T836-T839 PolarHBondContact O-OG1 3.06Å; T836-E840 VanDerWaalsContact O-CB 3.28Å; T836-E840 WeakPolarHBondContact O-CB 3.37Å; T836-E840 VanDerWaalsContact O-CG 3.27Å; T836-E840 WeakPolarHBondContact O-CG 3.31Å; T836-E840 PolarHBondContact O-N 2.86Å |
| 837 | A | 87.5 | Confident | 86 | Confident | 16 Ų | 16 | 47 Ų | 47 | 13% | 0.132 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -37.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y784 D834 R835 S841 | Y784-A837 HydrophobicContact CD2-CB 4.14Å; Y784-A837 HydrophobicContact CE1-CB 3.88Å; Y784-A837 HydrophobicContact CE2-CB 3.41Å; Y784-A837 VanDerWaalsContact CE2-CB 3.41Å; Y784-A837 VanDerWaalsContact OH-CB 3.28Å; Y784-A837 WeakPolarHBondContact OH-CB 3.36Å; D834-A837 VanDerWaalsContact O-CB 3.24Å; D834-A837 WeakPolarHBondContact O-CB 3.34Å; D834-A837 PolarHBondContact O-N 2.94Å; R835-A837 PolarHBondContact O-N 2.76Å; A837-S841 WeakPolarHBondContact O-CB 3.5Å; A837-S841 PolarHBondContact O-N 3.33Å; A837-S841 PolarHBondContact O-OG 3.12Å |
| 838 | W | 87.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 173.3 | 166.9 | -100.7 | 0 | 0 | 0 | 112.1 | Y561 A563 V826 W828 R835 T836 S841 H842 | Y561-W838 AromaticContact CD1-CD1 3.78Å; Y561-W838 AromaticContact CD1-CE2 3.96Å; Y561-W838 HydrophobicContact CD1-CG 4.42Å; Y561-W838 AromaticContact CD1-NE1 3.47Å; Y561-W838 HydrophobicContact CD2-CB 4.44Å; Y561-W838 AromaticContact CD2-CD1 4Å; Y561-W838 HydrophobicContact CD2-CD2 4.39Å; Y561-W838 HydrophobicContact CD2-CG 4.01Å; Y561-W838 AromaticContact CG-CD1 3.76Å; Y561-W838 AromaticContact CG-CD2 3.96Å; Y561-W838 HydrophobicContact CG-CD2 3.96Å; Y561-W838 AromaticContact CG-CE2 3.82Å; Y561-W838 AromaticContact CG-CG 3.96Å; Y561-W838 HydrophobicContact CG-CG 3.96Å; Y561-W838 HydrophobicContact CG-CZ2 4.45Å; Y561-W838 AromaticContact CG-NE1 3.68Å; A563-W838 HydrophobicContact CB-CH2 3.9Å; A563-W838 HydrophobicContact CB-CZ2 4.2Å; V826-W838 HydrophobicContact CB-CH2 4.35Å; V826-W838 HydrophobicContact CB-CZ3 4.45Å; V826-W838 HydrophobicContact CG1-CH2 4.22Å; V826-W838 HydrophobicContact CG1-CZ3 3.86Å; W828-W838 HydrophobicContact CB-CD2 4.26Å; W828-W838 HydrophobicContact CB-CE3 3.3Å; W828-W838 HydrophobicContact CB-CZ3 3.67Å; W828-W838 HydrophobicContact CD2-CB 4.02Å; W828-W838 HydrophobicContact CE3-CB 4.42Å; W828-W838 HydrophobicContact CG-CB 4.2Å; W828-W838 AromaticContact CG-CE3 3.82Å; W828-W838 HydrophobicContact CG-CE3 3.82Å; R835-W838 WeakPolarHBondContact O-CB 3.15Å; R835-W838 PolarHBondContact O-N 3.17Å; R835-W838 VanDerWaalsContact O-N 3.15Å; T836-W838 VanDerWaalsContact C-N 3.3Å; T836-W838 PolarHBondContact O-N 3.48Å; W838-S841 PolarHBondContact O-OG 3.17Å; W838-H842 AromaticContact CD2-CE1 3.75Å; W838-H842 AromaticContact CD2-ND1 3.84Å; W838-H842 AromaticContact CE2-CE1 3.95Å; W838-H842 AromaticContact CE2-ND1 3.94Å; W838-H842 AromaticContact CE3-CE1 3.29Å; W838-H842 AromaticContact CE3-ND1 3.84Å; W838-H842 AromaticContact CH2-CE1 3.36Å; W838-H842 WeakPolarHBondContact CH2-CE1 3Å; W838-H842 AromaticContact CH2-NE2 3.66Å; W838-H842 AromaticContact CZ2-CE1 3.77Å; W838-H842 AromaticContact CZ3-CE1 3.12Å; W838-H842 WeakPolarHBondContact CZ3-CE1 3.13Å; W838-H842 AromaticContact CZ3-NE2 3.74Å; W838-H842 PolarHBondContact O-ND1 2.93Å |
| 839 | T | 79.5 | Confident | 85.2 | Confident | 70 Ų | 70 | 49 Ų | 49 | 43% | 0.429 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.2 | -38.5 | -176.6 | 14.7 | 0 | 0 | 0 | 0 | 111.6 | R835 T836 H842 | R835-T839 PolarHBondContact O-N 2.89Å; R835-T839 PolarHBondContact O-OG1 2.88Å; T836-T839 WeakPolarHBondContact CA-OG1 3.45Å; T836-T839 PolarHBondContact O-N 3.42Å; T836-T839 VanDerWaalsContact O-N 3.13Å; T836-T839 PolarHBondContact O-OG1 3.06Å; T839-H842 PolarHBondContact O-N 3.21Å |
| 840 | E | 80.4 | Confident | 84.9 | Confident | 128 Ų | 128 | 49.1 Ų | 49.1 | 60% | 0.598 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -73.6 | -25.7 | 176.6 | -69.4 | 173.6 | -176.5 | 0 | 0 | 112.9 | T836 H842 N843 | T836-E840 VanDerWaalsContact O-CB 3.28Å; T836-E840 WeakPolarHBondContact O-CB 3.37Å; T836-E840 VanDerWaalsContact O-CG 3.27Å; T836-E840 WeakPolarHBondContact O-CG 3.31Å; T836-E840 PolarHBondContact O-N 2.86Å; E840-H842 PolarHBondContact O-N 2.79Å; E840-N843 PolarHBondContact O-ND2 2.79Å; E840-N843 PolarHBondContact O-OD1 2.93Å |
| 841 | S | 78.7 | Confident | 84.7 | Confident | 66 Ų | 66 | 49.1 Ų | 49.1 | 46% | 0.462 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13 | 176.8 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | A837 W838 | A837-S841 WeakPolarHBondContact O-CB 3.5Å; A837-S841 PolarHBondContact O-N 3.33Å; A837-S841 PolarHBondContact O-OG 3.12Å; W838-S841 PolarHBondContact O-OG 3.17Å |
| 842 | H | 77.4 | Confident | 84.6 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 47.6 | -175.8 | -61.3 | 87.8 | 0 | 0 | 0 | 113.4 | W838 T839 E840 E844 A845 M1133 | W838-H842 AromaticContact CD2-CE1 3.75Å; W838-H842 AromaticContact CD2-ND1 3.84Å; W838-H842 AromaticContact CE2-CE1 3.95Å; W838-H842 AromaticContact CE2-ND1 3.94Å; W838-H842 AromaticContact CE3-CE1 3.29Å; W838-H842 AromaticContact CE3-ND1 3.84Å; W838-H842 AromaticContact CH2-CE1 3.36Å; W838-H842 WeakPolarHBondContact CH2-CE1 3Å; W838-H842 AromaticContact CH2-NE2 3.66Å; W838-H842 AromaticContact CZ2-CE1 3.77Å; W838-H842 AromaticContact CZ3-CE1 3.12Å; W838-H842 WeakPolarHBondContact CZ3-CE1 3.13Å; W838-H842 AromaticContact CZ3-NE2 3.74Å; W838-H842 PolarHBondContact O-ND1 2.93Å; T839-H842 PolarHBondContact O-N 3.21Å; E840-H842 PolarHBondContact O-N 2.79Å; H842-E844 PolarHBondContact O-N 3.24Å; H842-A845 PolarHBondContact O-N 3.35Å; H842-M1133 HydrophobicContact CB-CE 3.37Å |
| 843 | N | 70.1 | Confident | 84.7 | Confident | 130 Ų | 130 | 47.4 Ų | 47.4 | 70% | 0.695 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -21.8 | -177.2 | -67.2 | -43.2 | 0 | 0 | 0 | 115.3 | E840 | E840-N843 PolarHBondContact O-ND2 2.79Å; E840-N843 PolarHBondContact O-OD1 2.93Å |
| 844 | E | 74.6 | Confident | 84.8 | Confident | 50 Ų | 50 | 42 Ų | 42 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.6 | 179 | 59.6 | -170.6 | -164.7 | 0 | 0 | 114.6 | H842 F1135 R1136 G1201 D1202 | H842-E844 PolarHBondContact O-N 3.24Å; E844-F1135 HydrophobicContact CG-CD1 4.09Å; E844-F1135 HydrophobicContact CG-CE1 3.88Å; E844-F1135 WeakPolarHBondContact OE1-CE1 3.33Å; E844-R1136 PolarHBondContact O-N 3.1Å; E844-G1201 WeakPolarHBondContact OE2-CA 3.15Å; E844-D1202 WeakPolarHBondContact OE2-CA 3.23Å; E844-D1202 VanDerWaalsContact OE2-CB 3.24Å; E844-D1202 WeakPolarHBondContact OE2-CB 3.45Å; E844-D1202 PolarHBondContact OE2-N 2.59Å |
| 845 | A | 82.7 | Confident | 84.9 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | H842 M1133 R1134 F1135 | H842-A845 PolarHBondContact O-N 3.35Å; A845-M1133 HydrophobicContact CB-CB 4.33Å; A845-M1133 HydrophobicContact CB-CE 3.63Å; A845-R1134 CarbonylContact C-O 3.58Å; A845-R1134 VanDerWaalsContact CA-O 3.28Å; A845-R1134 WeakPolarHBondContact CA-O 3.23Å; A845-F1135 HydrophobicContact CB-CD1 3.95Å; A845-F1135 HydrophobicContact CB-CD2 4.05Å; A845-F1135 HydrophobicContact CB-CE1 3.98Å; A845-F1135 HydrophobicContact CB-CE2 4.05Å; A845-F1135 HydrophobicContact CB-CG 4Å; A845-F1135 HydrophobicContact CB-CZ 4.02Å |
| 846 | K | 82.5 | Confident | 85.3 | Confident | 144 Ų | 144 | 40.7 Ų | 40.7 | 63% | 0.626 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.2 | 172.2 | -172.4 | 178.6 | 178 | -178.1 | 0 | 108.9 | Q848 R1134 | K846-Q848 PolarHBondContact O-N 2.98Å; K846-R1134 PolarHBondContact N-O 3.19Å; K846-R1134 PolarHBondContact O-N 3.36Å |
| 847 | L | 84.7 | Confident | 85.7 | Confident | 55 Ų | 55 | 38.6 Ų | 38.6 | 29% | 0.288 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 120.9 | 171.1 | -164.6 | 132.5 | 0 | 0 | 0 | 109.2 | Y561 V849 I1131 F1132 M1133 | Y561-L847 HydrophobicContact CE1-CD1 4.44Å; L847-V849 HydrophobicContact CD2-CG2 3.74Å; L847-I1131 HydrophobicContact CD1-CG2 4Å; L847-I1131 HydrophobicContact CD2-CG2 3.82Å; L847-I1131 HydrophobicContact CG-CG2 3.73Å; L847-F1132 WeakPolarHBondContact CA-O 3.14Å; L847-M1133 HydrophobicContact CB-SD 4.05Å; L847-M1133 HydrophobicContact CD1-SD 3.97Å; L847-M1133 HydrophobicContact CG-SD 4.3Å |
| 848 | Q | 86.2 | Confident | 85.8 | Confident | 40 Ų | 40 | 38 Ų | 38 | 19% | 0.187 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.6 | -179.4 | -171.9 | 178.1 | 9.3 | 0 | 0 | 109.5 | K846 V850 I1131 F1132 | K846-Q848 PolarHBondContact O-N 2.98Å; Q848-V850 HydrophobicContact CG-CG1 3.98Å; Q848-I1131 WeakPolarHBondContact O-CA 3.46Å; Q848-F1132 PolarHBondContact N-O 3.36Å; Q848-F1132 PolarHBondContact O-N 3Å |
| 849 | V | 89.3 | Confident | 85.7 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.3 | 176.9 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | L847 W896 L1082 C1094 P1129 I1131 | L847-V849 HydrophobicContact CD2-CG2 3.74Å; V849-W896 HydrophobicContact CB-CH2 4.42Å; V849-W896 HydrophobicContact CB-CZ3 4.15Å; V849-W896 HydrophobicContact CG1-CH2 4.47Å; V849-W896 HydrophobicContact CG1-CZ3 4.32Å; V849-W896 HydrophobicContact CG2-CH2 4.02Å; V849-W896 HydrophobicContact CG2-CZ3 4.18Å; V849-L1082 HydrophobicContact CG1-CD1 4.35Å; V849-L1082 PolarHBondContact O-N 3.42Å; V849-C1094 HydrophobicContact CG1-CB 4.48Å; V849-P1129 HydrophobicContact CG1-CB 3.59Å; V849-P1129 HydrophobicContact CG1-CG 3.66Å; V849-I1131 HydrophobicContact CG2-CG1 4.44Å |
| 850 | V | 90.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.2 | -177.9 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | Q848 H1079 R1080 A1081 P1129 R1130 F1132 | Q848-V850 HydrophobicContact CG-CG1 3.98Å; V850-H1079 HydrophobicContact CB-CB 4.46Å; V850-R1080 CarbonylContact C-O 3.54Å; V850-R1080 WeakPolarHBondContact CA-O 3.43Å; V850-A1081 HydrophobicContact CG1-CB 4.45Å; V850-P1129 CarbonylContact O-C 3.54Å; V850-P1129 VanDerWaalsContact O-CA 3.28Å; V850-P1129 WeakPolarHBondContact O-CA 3.41Å; V850-P1129 WeakPolarHBondContact O-CB 3.5Å; V850-R1130 HydrophobicContact CG2-CB 3.8Å; V850-R1130 PolarHBondContact N-O 3.33Å; V850-R1130 PolarHBondContact O-N 3.21Å; V850-F1132 HydrophobicContact CG2-CD2 4.12Å; V850-F1132 HydrophobicContact CG2-CE2 3.8Å |
| 851 | A | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 140 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | W898 W902 H1079 R1080 L1082 L1096 | A851-W898 HydrophobicContact CB-CH2 3.62Å; A851-W898 HydrophobicContact CB-CZ3 3.67Å; A851-W902 HydrophobicContact CB-CH2 3.82Å; A851-W902 HydrophobicContact CB-CZ3 4.42Å; A851-H1079 CarbonylContact O-C 3.48Å; A851-H1079 VanDerWaalsContact O-CA 3.27Å; A851-H1079 WeakPolarHBondContact O-CA 3.35Å; A851-R1080 PolarHBondContact N-O 3.08Å; A851-R1080 PolarHBondContact O-N 3.16Å; A851-L1082 HydrophobicContact CB-CD1 3.99Å; A851-L1096 HydrophobicContact CB-CD1 3.76Å |
| 852 | E | 92.1 | Very high | 85.1 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.9 | -177.5 | 179.2 | 173 | 89.8 | 0 | 0 | 110.3 | Y854 L885 R1077 W1078 H1079 R1130 | E852-Y854 HydrophobicContact CG-CD2 4.41Å; E852-Y854 HydrophobicContact CG-CE2 3.7Å; E852-L885 WeakPolarHBondContact O-CD2 3.4Å; E852-R1077 HydrophobicContact CG-CG 4.24Å; E852-R1077 WeakPolarHBondContact OE2-CD 3.43Å; E852-W1078 WeakPolarHBondContact CA-O 3.47Å; E852-H1079 IonicContact OE2-CD2 3.18Å; E852-H1079 IonicContact OE2-CE1 3.73Å; E852-H1079 IonicContact OE2-NE2 3.1Å; E852-H1079 PolarHBondContact OE2-NE2 2.88Å; E852-R1130 HydrophobicContact CB-CG 4.32Å; E852-R1130 IonicContact OE1-NE 3.16Å; E852-R1130 PolarHBondContact OE1-NE 3.41Å; E852-R1130 IonicContact OE1-NH2 2.79Å |
| 853 | T | 92.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 157.2 | 168.9 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | W876 S877 L885 K887 W902 W1078 | T853-W876 HydrophobicContact CG2-CE3 3.83Å; T853-W876 HydrophobicContact CG2-CZ3 3.96Å; T853-S877 CarbonylContact C-O 3.58Å; T853-S877 PolarHBondContact OG1-O 2.95Å; T853-L885 PolarHBondContact OG1-O 2.81Å; T853-K887 HydrophobicContact CG2-CG 3.75Å; T853-W902 HydrophobicContact CG2-CE3 4.26Å; T853-W902 HydrophobicContact CG2-CH2 3.87Å; T853-W902 HydrophobicContact CG2-CZ3 3.7Å; T853-W1078 HydrophobicContact CG2-CB 3.97Å; T853-W1078 PolarHBondContact N-O 3.35Å; T853-W1078 PolarHBondContact O-N 2.76Å |
| 854 | Y | 92 | Very high | 86.2 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126 | -179.4 | -68.6 | -103 | 0 | 0 | 0 | 109.9 | E852 W876 S877 N879 R1075 R1076 R1077 | E852-Y854 HydrophobicContact CG-CD2 4.41Å; E852-Y854 HydrophobicContact CG-CE2 3.7Å; Y854-W876 CarbonylContact O-C 3.47Å; Y854-W876 WeakPolarHBondContact O-CA 3.46Å; Y854-S877 PolarHBondContact N-O 3.38Å; Y854-S877 PolarHBondContact O-N 3.21Å; Y854-N879 HydrophobicContact CD2-CB 4.29Å; Y854-N879 HydrophobicContact CE2-CB 3.5Å; Y854-N879 VanDerWaalsContact CE2-CB 3.5Å; Y854-R1075 HydrophobicContact CD1-CG 4.18Å; Y854-R1076 CarbonylContact C-O 3.37Å; Y854-R1076 VanDerWaalsContact CA-O 3.29Å; Y854-R1076 WeakPolarHBondContact CA-O 3.37Å; Y854-R1077 HydrophobicContact CD1-CB 3.99Å; Y854-R1077 HydrophobicContact CD1-CG 4.25Å; Y854-R1077 HydrophobicContact CE1-CB 3.63Å; Y854-R1077 HydrophobicContact CE1-CG 3.64Å; Y854-R1077 HydrophobicContact CE2-CG 4.11Å; Y854-R1077 VanDerWaalsContact CZ-CD 3.42Å; Y854-R1077 WeakPolarHBondContact OH-CD 3.41Å |
| 855 | E | 93.1 | Very high | 86.8 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.6 | 169.9 | -172.9 | -176.8 | 178.7 | 0 | 0 | 108.9 | W876 W1053 R1075 R1076 W1078 | E855-W876 HydrophobicContact CB-CD2 4.35Å; E855-W876 HydrophobicContact CB-CE3 4.05Å; E855-W876 HydrophobicContact CB-CH2 3.63Å; E855-W876 HydrophobicContact CB-CZ2 3.99Å; E855-W876 HydrophobicContact CB-CZ3 3.69Å; E855-W876 HydrophobicContact CG-CD2 4.44Å; E855-W876 HydrophobicContact CG-CH2 3.78Å; E855-W876 HydrophobicContact CG-CZ2 3.64Å; E855-W876 HydrophobicContact CG-CZ3 4.29Å; E855-W1053 HydrophobicContact CB-CH2 4.25Å; E855-W1053 HydrophobicContact CB-CZ3 4.47Å; E855-W1053 HydrophobicContact CG-CH2 3.77Å; E855-W1053 HydrophobicContact CG-CZ3 4.39Å; E855-W1053 WeakPolarHBondContact O-CZ3 3.47Å; E855-R1075 CarbonylContact O-C 3.53Å; E855-R1075 WeakPolarHBondContact O-CA 3.34Å; E855-R1076 HydrophobicContact CB-CB 4.43Å; E855-R1076 PolarHBondContact N-O 2.94Å; E855-R1076 PolarHBondContact O-N 2.98Å; E855-R1076 IonicContact OE1-NH2 3.53Å; E855-R1076 IonicContact OE2-CZ 3.31Å; E855-R1076 IonicContact OE2-NE 3.72Å; E855-R1076 PolarHBondContact OE2-NE 3.29Å; E855-R1076 VanDerWaalsContact OE2-NE 3.1Å; E855-R1076 IonicContact OE2-NH2 2.65Å; E855-R1076 PolarHBondContact OE2-NH2 3.46Å; E855-W1078 PolarHBondContact OE2-NE1 3.16Å; E855-W1078 VanDerWaalsContact OE2-NE1 3.11Å |
| 856 | N | 94.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.6 | -172.3 | -65.9 | -37.3 | 0 | 0 | 0 | 112.1 | L871 P874 S875 S877 F1059 R1075 | N856-L871 HydrophobicContact CB-CD1 4.24Å; N856-L871 HydrophobicContact CB-CD2 4.48Å; N856-P874 VanDerWaalsContact CB-O 3.31Å; N856-P874 WeakPolarHBondContact CB-O 3.3Å; N856-P874 PolarHBondContact ND2-O 2.82Å; N856-S875 PolarHBondContact N-O 3.06Å; N856-S877 VanDerWaalsContact ND2-CB 3.3Å; N856-S877 WeakPolarHBondContact ND2-CB 3.3Å; N856-S877 PolarHBondContact ND2-OG 3.2Å; N856-F1059 HydrophobicContact CB-CE1 4.07Å; N856-F1059 HydrophobicContact CB-CZ 3.83Å; N856-F1059 WeakPolarHBondContact OD1-CE1 3.45Å; N856-R1075 VanDerWaalsContact OD1-CB 3.28Å; N856-R1075 WeakPolarHBondContact OD1-CB 3.48Å |
| 857 | Q | 92.6 | Very high | 86.6 | Confident | 21 Ų | 21 | 43.3 Ų | 43.3 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.7 | 176.1 | -62.2 | -176.4 | -7.9 | 0 | 0 | 110.5 | W864 T866 W1053 V1073 R1074 | Q857-W864 HydrophobicContact CB-CB 4.35Å; Q857-W864 HydrophobicContact CB-CE3 4.22Å; Q857-T866 HydrophobicContact CG-CG2 3.72Å; Q857-W1053 VanDerWaalsContact CD-CH2 3.47Å; Q857-W1053 HydrophobicContact CG-CH2 3.86Å; Q857-W1053 HydrophobicContact CG-CZ3 4.2Å; Q857-V1073 WeakPolarHBondContact O-CA 3.41Å; Q857-R1074 HydrophobicContact CB-CG 3.9Å; Q857-R1074 PolarHBondContact N-O 2.91Å; Q857-R1074 PolarHBondContact O-N 3.15Å |
| 858 | A | 90.2 | Very high | 85.6 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 145.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V865 P870 L871 M1072 | A858-V865 PolarHBondContact N-O 2.81Å; A858-V865 WeakPolarHBondContact O-CG2 3.32Å; A858-V865 PolarHBondContact O-N 3.32Å; A858-P870 HydrophobicContact CB-CB 4.21Å; A858-L871 HydrophobicContact CB-CB 4.16Å; A858-L871 HydrophobicContact CB-CD1 3.81Å; A858-M1072 CarbonylContact C-O 3.02Å; A858-M1072 WeakPolarHBondContact CA-O 3.42Å |
| 859 | S | 85.8 | Confident | 84.2 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.3 | 177.6 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | M1072 | S859-M1072 PolarHBondContact N-O 3.12Å |
| 860 | I | 80 | Confident | 83.2 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.7 | 165.6 | -78.9 | -164.5 | 0 | 0 | 0 | 107.6 | G862 N863 V865 P870 | I860-G862 PolarHBondContact O-N 3.47Å; I860-G862 VanDerWaalsContact O-N 3.13Å; I860-N863 PolarHBondContact N-O 3.08Å; I860-N863 PolarHBondContact O-N 3.2Å; I860-V865 HydrophobicContact CB-CG2 4.37Å; I860-V865 HydrophobicContact CD1-CG2 4.44Å; I860-V865 HydrophobicContact CG1-CG2 4.2Å; I860-P870 HydrophobicContact CD1-CB 3.43Å; I860-P870 VanDerWaalsContact CD1-CB 3.43Å; I860-P870 HydrophobicContact CD1-CG 3.25Å; I860-P870 HydrophobicContact CG1-CB 3.44Å; I860-P870 VanDerWaalsContact CG1-CB 3.44Å; I860-P870 HydrophobicContact CG1-CG 3.64Å |
| 861 | V | 74.5 | Confident | 82.7 | Confident | 139 Ų | 139 | 54.4 Ų | 54.4 | 84% | 0.842 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.2 | 172.6 | -165.2 | 0 | 0 | 0 | 0 | 110.5 | N863 | V861-N863 VanDerWaalsContact C-N 3.27Å; V861-N863 PolarHBondContact O-N 2.95Å |
| 862 | G | 71.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 61% | 0.608 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -1.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | I860 | I860-G862 PolarHBondContact O-N 3.47Å; I860-G862 VanDerWaalsContact O-N 3.13Å |
| 863 | N | 82.5 | Confident | 81.8 | Confident | 110 Ų | 110 | 60.3 Ų | 60.3 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.5 | 178 | -65.9 | -62.2 | 0 | 0 | 0 | 111.3 | I860 V861 V865 | I860-N863 PolarHBondContact N-O 3.08Å; I860-N863 PolarHBondContact O-N 3.2Å; V861-N863 VanDerWaalsContact C-N 3.27Å; V861-N863 PolarHBondContact O-N 2.95Å; N863-V865 PolarHBondContact O-N 3.23Å |
| 864 | W | 87.2 | Confident | 81.6 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 17% | 0.167 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 118.8 | 175.8 | -65.4 | 106.1 | 0 | 0 | 0 | 111.3 | Q857 Y1055 E1067 D1071 V1073 R1074 | Q857-W864 HydrophobicContact CB-CB 4.35Å; Q857-W864 HydrophobicContact CB-CE3 4.22Å; W864-Y1055 HydrophobicContact CH2-CD1 4.08Å; W864-Y1055 AromaticContact CZ2-CD1 3.72Å; W864-Y1055 HydrophobicContact CZ2-CD1 3.72Å; W864-Y1055 AromaticContact CZ2-CE1 3.84Å; W864-Y1055 HydrophobicContact CZ2-CE1 3.84Å; W864-E1067 HydrophobicContact CZ2-CG 4.22Å; W864-E1067 VanDerWaalsContact CZ2-OE1 3.29Å; W864-E1067 WeakPolarHBondContact CZ2-OE1 3.18Å; W864-E1067 PolarHBondContact NE1-OE1 2.98Å; W864-D1071 HydrophobicContact CH2-CB 4.27Å; W864-V1073 VanDerWaalsContact CZ3-C 3.46Å; W864-R1074 VanDerWaalsContact CD2-CD 3.5Å; W864-R1074 HydrophobicContact CD2-CG 3.9Å; W864-R1074 HydrophobicContact CE3-CB 4.32Å; W864-R1074 HydrophobicContact CE3-CG 3.59Å; W864-R1074 VanDerWaalsContact CG-NE 3.32Å; W864-R1074 HydrophobicContact CH2-CB 4.04Å; W864-R1074 HydrophobicContact CH2-CG 4.17Å; W864-R1074 HydrophobicContact CZ2-CB 4.48Å; W864-R1074 HydrophobicContact CZ2-CG 4.45Å; W864-R1074 HydrophobicContact CZ3-CB 3.96Å; W864-R1074 HydrophobicContact CZ3-CG 3.74Å |
| 865 | V | 87 | Confident | 81.5 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.1 | -176 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | A858 I860 N863 P870 | A858-V865 PolarHBondContact N-O 2.81Å; A858-V865 WeakPolarHBondContact O-CG2 3.32Å; A858-V865 PolarHBondContact O-N 3.32Å; I860-V865 HydrophobicContact CB-CG2 4.37Å; I860-V865 HydrophobicContact CD1-CG2 4.44Å; I860-V865 HydrophobicContact CG1-CG2 4.2Å; N863-V865 PolarHBondContact O-N 3.23Å; V865-P870 HydrophobicContact CG2-CG 3.58Å |
| 866 | T | 82.9 | Confident | 81.4 | Confident | 62 Ų | 62 | 63 Ų | 63 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | trans | -94.7 | -9.2 | 177.9 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | Q857 | Q857-T866 HydrophobicContact CG-CG2 3.72Š| ||
| 867 | K | 77.6 | Confident | 81.2 | Confident | 164 Ų | 164 | 63 Ų | 63 | 71% | 0.713 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -91.4 | 143.4 | -174.8 | -66.4 | -176.8 | -179 | 177.3 | 0 | 111.5 | P870 | K867-P870 VanDerWaalsContact O-CD 3.27Å; K867-P870 WeakPolarHBondContact O-CD 3.48Å; K867-P870 WeakPolarHBondContact O-CG 3.46Å |
| 868 | R | 64.7 | Low | 80.9 | Confident | 172 Ų | 172 | 63 Ų | 63 | 65% | 0.649 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 148.7 | 162.1 | -65.1 | -173.6 | -179.7 | 177.7 | 4 | 109.4 | ||
| 869 | P | 57.7 | Low | 80.4 | Confident | 123 Ų | 123 | 64.2 Ų | 64.2 | 80% | 0.799 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -80.2 | -31 | 14.2 | -12.6 | 28.7 | 0 | 0 | 0 | 119.7 | L871 | P869-L871 VanDerWaalsContact C-N 3.27Å; P869-L871 PolarHBondContact O-N 3.47Å |
| 870 | P | 67.9 | Low | 80.1 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -36.1 | -166.6 | 24.8 | -38 | 0 | 0 | 0 | 113.4 | A858 I860 V865 K867 T872 | A858-P870 HydrophobicContact CB-CB 4.21Å; I860-P870 HydrophobicContact CD1-CB 3.43Å; I860-P870 VanDerWaalsContact CD1-CB 3.43Å; I860-P870 HydrophobicContact CD1-CG 3.25Å; I860-P870 HydrophobicContact CG1-CB 3.44Å; I860-P870 VanDerWaalsContact CG1-CB 3.44Å; I860-P870 HydrophobicContact CG1-CG 3.64Å; V865-P870 HydrophobicContact CG2-CG 3.58Å; K867-P870 VanDerWaalsContact O-CD 3.27Å; K867-P870 WeakPolarHBondContact O-CD 3.48Å; K867-P870 WeakPolarHBondContact O-CG 3.46Å; P870-T872 PolarHBondContact O-N 2.88Å |
| 871 | L | 79.5 | Confident | 80 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | trans | -73.5 | 102 | 176.9 | -168.4 | 72.7 | 0 | 0 | 0 | 109.2 | N856 A858 P869 R873 F1059 | N856-L871 HydrophobicContact CB-CD1 4.24Å; N856-L871 HydrophobicContact CB-CD2 4.48Å; A858-L871 HydrophobicContact CB-CB 4.16Å; A858-L871 HydrophobicContact CB-CD1 3.81Å; P869-L871 VanDerWaalsContact C-N 3.27Å; P869-L871 PolarHBondContact O-N 3.47Å; L871-R873 VanDerWaalsContact CD2-O 3.22Å; L871-R873 WeakPolarHBondContact CD2-O 3.41Å; L871-R873 WeakPolarHBondContact CG-O 3.36Å; L871-R873 PolarHBondContact O-N 2.86Å; L871-F1059 HydrophobicContact CD1-CE2 3.88Å; L871-F1059 HydrophobicContact CD1-CZ 3.9Å | ||
| 872 | T | 79.8 | Confident | 80.3 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 61% | 0.613 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -73.2 | -11 | 177.5 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | P870 | P870-T872 PolarHBondContact O-N 2.88Š|
| 873 | R | 85.2 | Confident | 80.8 | Confident | 45 Ų | 45 | 65.4 Ų | 65.4 | 17% | 0.17 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -112.1 | 166.5 | 177.5 | -65.1 | -48.2 | -171.4 | -112.1 | -4.4 | 111.2 | L871 G881 F1059 D1060 | L871-R873 VanDerWaalsContact CD2-O 3.22Å; L871-R873 WeakPolarHBondContact CD2-O 3.41Å; L871-R873 WeakPolarHBondContact CG-O 3.36Å; L871-R873 PolarHBondContact O-N 2.86Å; R873-G881 WeakPolarHBondContact CB-O 3.32Å; R873-G881 WeakPolarHBondContact CD-O 3.33Å; R873-G881 VanDerWaalsContact CG-O 3.27Å; R873-G881 WeakPolarHBondContact CG-O 3.22Å; R873-F1059 HydrophobicContact CB-CD2 4.06Å; R873-F1059 HydrophobicContact CB-CE1 4.45Å; R873-F1059 HydrophobicContact CB-CE2 3.83Å; R873-F1059 HydrophobicContact CB-CG 4.48Å; R873-F1059 HydrophobicContact CB-CZ 4.07Å; R873-F1059 HydrophobicContact CG-CB 4.17Å; R873-F1059 HydrophobicContact CG-CD1 4.05Å; R873-F1059 HydrophobicContact CG-CD2 3.33Å; R873-F1059 HydrophobicContact CG-CE1 4.33Å; R873-F1059 HydrophobicContact CG-CE2 3.66Å; R873-F1059 HydrophobicContact CG-CG 3.57Å; R873-F1059 HydrophobicContact CG-CZ 4.17Å; R873-D1060 IonicContact NH2-OD1 3.87Å; R873-D1060 PolarHBondContact NH2-OD1 3.07Å; R873-D1060 VanDerWaalsContact NH2-OD1 3.13Å; R873-D1060 IonicContact NH2-OD2 2.66Å; R873-D1060 PolarHBondContact NH2-OD2 2.88Å; R873-D1060 VanDerWaalsContact NH2-OD2 3.11Å |
| 874 | P | 87.5 | Confident | 81 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | trans | -63.8 | 150 | 170 | -22.7 | 36.4 | 0 | 0 | 0 | 112 | N856 W876 G881 E884 | N856-P874 VanDerWaalsContact CB-O 3.31Å; N856-P874 WeakPolarHBondContact CB-O 3.3Å; N856-P874 PolarHBondContact ND2-O 2.82Å; P874-W876 WeakPolarHBondContact CB-O 3.41Å; P874-W876 PolarHBondContact O-N 2.71Å; P874-G881 VanDerWaalsContact CD-O 3.26Å; P874-G881 WeakPolarHBondContact CD-O 3.45Å; P874-E884 HydrophobicContact CB-CB 3.66Å; P874-E884 HydrophobicContact CB-CG 3.9Å; P874-E884 HydrophobicContact CG-CB 3.77Å | ||
| 875 | S | 89.6 | Confident | 81 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -65.7 | -23 | 177.6 | 64.7 | 0 | 0 | 0 | 0 | 114 | N856 | N856-S875 PolarHBondContact N-O 3.06Š|
| 876 | W | 91.6 | Very high | 81 | Confident | 44 Ų | 44 | 63 Ų | 63 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.2 | 169.3 | -71 | 85 | 0 | 0 | 0 | 107.7 | T853 Y854 E855 P874 E884 L885 P886 K887 W1078 | T853-W876 HydrophobicContact CG2-CE3 3.83Å; T853-W876 HydrophobicContact CG2-CZ3 3.96Å; Y854-W876 CarbonylContact O-C 3.47Å; Y854-W876 WeakPolarHBondContact O-CA 3.46Å; E855-W876 HydrophobicContact CB-CD2 4.35Å; E855-W876 HydrophobicContact CB-CE3 4.05Å; E855-W876 HydrophobicContact CB-CH2 3.63Å; E855-W876 HydrophobicContact CB-CZ2 3.99Å; E855-W876 HydrophobicContact CB-CZ3 3.69Å; E855-W876 HydrophobicContact CG-CD2 4.44Å; E855-W876 HydrophobicContact CG-CH2 3.78Å; E855-W876 HydrophobicContact CG-CZ2 3.64Å; E855-W876 HydrophobicContact CG-CZ3 4.29Å; P874-W876 WeakPolarHBondContact CB-O 3.41Å; P874-W876 PolarHBondContact O-N 2.71Å; W876-E884 CarbonylContact O-C 3.54Å; W876-E884 WeakPolarHBondContact O-CA 3.24Å; W876-L885 PolarHBondContact O-N 2.9Å; W876-P886 HydrophobicContact CB-CB 4.42Å; W876-P886 HydrophobicContact CB-CG 4.41Å; W876-K887 HydrophobicContact CE3-CD 4.38Å; W876-K887 HydrophobicContact CE3-CG 3.88Å; W876-K887 HydrophobicContact CH2-CD 3.65Å; W876-K887 HydrophobicContact CH2-CG 4.05Å; W876-K887 HydrophobicContact CZ2-CD 4.46Å; W876-K887 HydrophobicContact CZ3-CD 3.57Å; W876-K887 HydrophobicContact CZ3-CG 3.56Å; W876-W1078 AromaticContact CH2-CD1 3.88Å; W876-W1078 HydrophobicContact CH2-CG 4.43Å; W876-W1078 AromaticContact CH2-NE1 3.56Å; W876-W1078 AromaticContact CZ3-CD1 3.5Å; W876-W1078 VanDerWaalsContact CZ3-CD1 3.5Å; W876-W1078 HydrophobicContact CZ3-CG 4.02Å; W876-W1078 AromaticContact CZ3-NE1 3.7Å |
| 877 | S | 90.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 174.3 | -175.1 | 73.7 | 0 | 0 | 0 | 0 | 115.2 | T853 Y854 N856 G881 I883 | T853-S877 CarbonylContact C-O 3.58Å; T853-S877 PolarHBondContact OG1-O 2.95Å; Y854-S877 PolarHBondContact N-O 3.38Å; Y854-S877 PolarHBondContact O-N 3.21Å; N856-S877 VanDerWaalsContact ND2-CB 3.3Å; N856-S877 WeakPolarHBondContact ND2-CB 3.3Å; N856-S877 PolarHBondContact ND2-OG 3.2Å; S877-G881 VanDerWaalsContact OG-CA 3.29Å; S877-G881 WeakPolarHBondContact OG-CA 3.15Å; S877-I883 CarbonylContact C-O 3.5Å; S877-I883 WeakPolarHBondContact CA-O 3.44Å; S877-I883 VanDerWaalsContact CB-O 3.27Å; S877-I883 WeakPolarHBondContact CB-O 3.23Å |
| 878 | D | 85.3 | Confident | 81.6 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | trans | -69.5 | -178.8 | 160.6 | 74.8 | -43.2 | 0 | 0 | 0 | 112.5 | T880 G881 R882 I883 | D878-T880 VanDerWaalsContact C-N 3.27Å; D878-T880 VanDerWaalsContact CG-OG1 3.22Å; D878-T880 PolarHBondContact O-N 2.87Å; D878-T880 PolarHBondContact OD1-OG1 2.95Å; D878-T880 VanDerWaalsContact OD1-OG1 3.08Å; D878-T880 WeakPolarHBondContact OD2-CB 3.11Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.18Å; D878-T880 PolarHBondContact OD2-N 3.18Å; D878-T880 PolarHBondContact OD2-OG1 2.82Å; D878-G881 PolarHBondContact O-N 3.27Å; D878-G881 VanDerWaalsContact O-N 3.09Å; D878-G881 PolarHBondContact OD1-N 2.98Å; D878-R882 PolarHBondContact OD1-N 2.93Å; D878-I883 HydrophobicContact CB-CB 4.18Å; D878-I883 PolarHBondContact N-O 2.94Å; D878-I883 VanDerWaalsContact N-O 3.08Å; D878-I883 PolarHBondContact OD1-N 2.8Å | ||
| 879 | N | 81 | Confident | 82.5 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.1 | -178.9 | 74.1 | -21.7 | 0 | 0 | 0 | 114.3 | Y854 G881 R1075 R1130 | Y854-N879 HydrophobicContact CD2-CB 4.29Å; Y854-N879 HydrophobicContact CE2-CB 3.5Å; Y854-N879 VanDerWaalsContact CE2-CB 3.5Å; N879-G881 VanDerWaalsContact C-N 3.25Å; N879-R1075 PolarHBondContact O-NH1 2.86Å; N879-R1130 PolarHBondContact ND2-NH2 3.4Å |
| 880 | T | 78.6 | Confident | 83.9 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 39% | 0.387 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -12.7 | 175.6 | 72.9 | 0 | 0 | 0 | 0 | 112.7 | D878 R882 | D878-T880 VanDerWaalsContact C-N 3.27Å; D878-T880 VanDerWaalsContact CG-OG1 3.22Å; D878-T880 PolarHBondContact O-N 2.87Å; D878-T880 PolarHBondContact OD1-OG1 2.95Å; D878-T880 VanDerWaalsContact OD1-OG1 3.08Å; D878-T880 WeakPolarHBondContact OD2-CB 3.11Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.18Å; D878-T880 PolarHBondContact OD2-N 3.18Å; D878-T880 PolarHBondContact OD2-OG1 2.82Å; T880-R882 VanDerWaalsContact C-N 3.25Å; T880-R882 PolarHBondContact O-N 2.96Å; T880-R882 WeakPolarHBondContact OG1-CB 3.45Å; T880-R882 PolarHBondContact OG1-N 2.95Å |
| 881 | G | 78.1 | Confident | 84.6 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 80.6 | -1.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R873 P874 S877 D878 N879 | R873-G881 WeakPolarHBondContact CB-O 3.32Å; R873-G881 WeakPolarHBondContact CD-O 3.33Å; R873-G881 VanDerWaalsContact CG-O 3.27Å; R873-G881 WeakPolarHBondContact CG-O 3.22Å; P874-G881 VanDerWaalsContact CD-O 3.26Å; P874-G881 WeakPolarHBondContact CD-O 3.45Å; S877-G881 VanDerWaalsContact OG-CA 3.29Å; S877-G881 WeakPolarHBondContact OG-CA 3.15Å; D878-G881 PolarHBondContact O-N 3.27Å; D878-G881 VanDerWaalsContact O-N 3.09Å; D878-G881 PolarHBondContact OD1-N 2.98Å; N879-G881 VanDerWaalsContact C-N 3.25Å |
| 882 | R | 81 | Confident | 84.8 | Confident | 165 Ų | 165 | 52 Ų | 52 | 62% | 0.623 | 26% | 0.262 | S | S | * | . | trans | -102.1 | -34.6 | -164.2 | -63.1 | 179.2 | -178.3 | -173.8 | -0.2 | 113.6 | D878 T880 D1060 | D878-R882 PolarHBondContact OD1-N 2.93Å; T880-R882 VanDerWaalsContact C-N 3.25Å; T880-R882 PolarHBondContact O-N 2.96Å; T880-R882 WeakPolarHBondContact OG1-CB 3.45Å; T880-R882 PolarHBondContact OG1-N 2.95Å; R882-D1060 IonicContact NH2-OD1 2.68Å | ||
| 883 | I | 81.7 | Confident | 84.6 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -94 | 125.9 | -175.4 | -58.5 | 174.9 | 0 | 0 | 0 | 108.6 | S877 D878 L885 | S877-I883 CarbonylContact C-O 3.5Å; S877-I883 WeakPolarHBondContact CA-O 3.44Å; S877-I883 VanDerWaalsContact CB-O 3.27Å; S877-I883 WeakPolarHBondContact CB-O 3.23Å; D878-I883 HydrophobicContact CB-CB 4.18Å; D878-I883 PolarHBondContact N-O 2.94Å; D878-I883 VanDerWaalsContact N-O 3.08Å; D878-I883 PolarHBondContact OD1-N 2.8Å; I883-L885 PolarHBondContact O-N 3.02Å |
| 884 | E | 86.6 | Confident | 84.3 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -70 | 117.7 | 179 | -178.5 | 161.7 | -153.2 | 0 | 0 | 111 | P874 W876 P886 | P874-E884 HydrophobicContact CB-CB 3.66Å; P874-E884 HydrophobicContact CB-CG 3.9Å; P874-E884 HydrophobicContact CG-CB 3.77Å; W876-E884 CarbonylContact O-C 3.54Å; W876-E884 WeakPolarHBondContact O-CA 3.24Å; E884-P886 HydrophobicContact CG-CG 4.19Å |
| 885 | L | 87.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | trans | -136.5 | 65.9 | -173.4 | -162.2 | 68.8 | 0 | 0 | 0 | 114 | E852 T853 W876 I883 I890 I1098 T1127 | E852-L885 WeakPolarHBondContact O-CD2 3.4Å; T853-L885 PolarHBondContact OG1-O 2.81Å; W876-L885 PolarHBondContact O-N 2.9Å; I883-L885 PolarHBondContact O-N 3.02Å; L885-I890 HydrophobicContact CD1-CD1 4.43Å; L885-I890 HydrophobicContact CD1-CG1 4.22Å; L885-I890 HydrophobicContact CD2-CD1 4.39Å; L885-I890 HydrophobicContact CG-CD1 4.15Å; L885-I890 HydrophobicContact CG-CG1 4.38Å; L885-I1098 HydrophobicContact CD1-CD1 3.34Å; L885-I1098 HydrophobicContact CD1-CG1 3.62Å; L885-I1098 HydrophobicContact CD1-CG2 4.29Å; L885-T1127 HydrophobicContact CD1-CG2 3.9Å; L885-T1127 HydrophobicContact CD2-CG2 4.37Å | ||
| 886 | P | 87.6 | Confident | 83.7 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | trans | -56.6 | 145.2 | 176.1 | -24.4 | 32.2 | 0 | 0 | 0 | 114.2 | W876 E884 D888 S889 | W876-P886 HydrophobicContact CB-CB 4.42Å; W876-P886 HydrophobicContact CB-CG 4.41Å; E884-P886 HydrophobicContact CG-CG 4.19Å; P886-D888 VanDerWaalsContact C-N 3.25Å; P886-D888 PolarHBondContact O-N 2.8Å; P886-S889 WeakPolarHBondContact CD-OG 3.35Å; P886-S889 PolarHBondContact O-N 3.31Å; P886-S889 VanDerWaalsContact O-N 3.1Å; P886-S889 PolarHBondContact O-OG 3.05Å | ||
| 887 | K | 88 | Confident | 83.6 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -52.7 | -40.7 | 177 | -72.5 | -173.2 | -64.6 | -167.8 | 0 | 113.7 | T853 W876 W902 | T853-K887 HydrophobicContact CG2-CG 3.75Å; W876-K887 HydrophobicContact CE3-CD 4.38Å; W876-K887 HydrophobicContact CE3-CG 3.88Å; W876-K887 HydrophobicContact CH2-CD 3.65Å; W876-K887 HydrophobicContact CH2-CG 4.05Å; W876-K887 HydrophobicContact CZ2-CD 4.46Å; W876-K887 HydrophobicContact CZ3-CD 3.57Å; W876-K887 HydrophobicContact CZ3-CG 3.56Å; K887-W902 HydrophobicContact CB-CD2 4.44Å; K887-W902 HydrophobicContact CB-CZ2 4.28Å; K887-W902 HydrophobicContact CD-CB 4.06Å; K887-W902 HydrophobicContact CD-CD2 3.83Å; K887-W902 HydrophobicContact CD-CE3 4.4Å; K887-W902 HydrophobicContact CD-CG 3.67Å; K887-W902 HydrophobicContact CG-CD2 3.92Å; K887-W902 HydrophobicContact CG-CE3 4.41Å; K887-W902 HydrophobicContact CG-CG 4.22Å; K887-W902 HydrophobicContact CG-CZ2 4.23Å |
| 888 | D | 83.7 | Confident | 83.7 | Confident | 144 Ų | 144 | 57.5 Ų | 57.5 | 77% | 0.77 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -86.3 | -7 | -175.5 | -57.2 | -36.2 | 0 | 0 | 0 | 113.7 | P886 | P886-D888 VanDerWaalsContact C-N 3.25Å; P886-D888 PolarHBondContact O-N 2.8Å |
| 889 | S | 85.3 | Confident | 83.7 | Confident | 14 Ų | 14 | 60 Ų | 60 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -86.6 | -18.5 | 177.8 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | P886 Q891 I1098 R1099 | P886-S889 WeakPolarHBondContact CD-OG 3.35Å; P886-S889 PolarHBondContact O-N 3.31Å; P886-S889 VanDerWaalsContact O-N 3.1Å; P886-S889 PolarHBondContact O-OG 3.05Å; S889-Q891 PolarHBondContact O-N 3.41Å; S889-I1098 CarbonylContact O-C 3.38Å; S889-I1098 WeakPolarHBondContact O-CA 3.44Å; S889-I1098 VanDerWaalsContact OG-CG2 3.27Å; S889-I1098 WeakPolarHBondContact OG-CG2 3.39Å; S889-R1099 PolarHBondContact O-N 3.05Å |
| 890 | I | 85.8 | Confident | 84 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118 | -179.1 | -57.3 | 176 | 0 | 0 | 0 | 110.4 | L885 W898 W902 L1096 Q1097 | L885-I890 HydrophobicContact CD1-CD1 4.43Å; L885-I890 HydrophobicContact CD1-CG1 4.22Å; L885-I890 HydrophobicContact CD2-CD1 4.39Å; L885-I890 HydrophobicContact CG-CD1 4.15Å; L885-I890 HydrophobicContact CG-CG1 4.38Å; I890-W898 HydrophobicContact CB-CZ2 4.32Å; I890-W898 HydrophobicContact CG2-CH2 3.85Å; I890-W898 HydrophobicContact CG2-CZ2 3.86Å; I890-W902 HydrophobicContact CD1-CH2 3.73Å; I890-W902 HydrophobicContact CD1-CZ2 3.87Å; I890-L1096 HydrophobicContact CG2-CB 3.96Å; I890-L1096 HydrophobicContact CG2-CD1 3.93Å; I890-L1096 HydrophobicContact CG2-CD2 4.34Å; I890-L1096 HydrophobicContact CG2-CG 4.3Å; I890-Q1097 CarbonylContact C-O 3.57Å; I890-Q1097 WeakPolarHBondContact CA-O 3.4Å |
| 891 | Q | 83.3 | Confident | 84.5 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 33% | 0.327 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.8 | 173.8 | -64.4 | -171.5 | -67.5 | 0 | 0 | 110.2 | S889 Q1097 R1099 | S889-Q891 PolarHBondContact O-N 3.41Å; Q891-Q1097 HydrophobicContact CB-CB 4.12Å; Q891-Q1097 PolarHBondContact N-O 3.16Å; Q891-Q1097 PolarHBondContact O-N 3.46Å; Q891-R1099 HydrophobicContact CG-CG 3.82Å |
| 892 | L | 82.7 | Confident | 85.1 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 140.4 | 176 | -61.1 | -173 | 0 | 0 | 0 | 110.8 | W896 E897 W898 L1082 L1096 | L892-W896 HydrophobicContact CB-CB 4.3Å; L892-E897 VanDerWaalsContact CD1-CA 3.43Å; L892-W898 HydrophobicContact CD1-CB 4.44Å; L892-W898 HydrophobicContact CD1-CD2 3.82Å; L892-W898 HydrophobicContact CD1-CG 3.73Å; L892-W898 VanDerWaalsContact CD1-N 3.35Å; L892-W898 HydrophobicContact CD2-CD2 3.8Å; L892-W898 VanDerWaalsContact CD2-CE2 3.4Å; L892-W898 HydrophobicContact CD2-CE3 4.03Å; L892-W898 HydrophobicContact CD2-CH2 3.58Å; L892-W898 HydrophobicContact CD2-CZ2 3.3Å; L892-W898 HydrophobicContact CD2-CZ3 3.94Å; L892-W898 HydrophobicContact CG-CD2 4.06Å; L892-W898 HydrophobicContact CG-CG 4.37Å; L892-W898 HydrophobicContact CG-CZ2 3.9Å; L892-L1082 HydrophobicContact CD2-CD2 3.18Å; L892-L1082 HydrophobicContact CD2-CG 4.22Å; L892-L1096 HydrophobicContact CD2-CD2 3.85Å |
| 893 | P | 77 | Confident | 85.4 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 16% | 0.156 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 158.3 | 167 | 25 | -31.4 | 0 | 0 | 0 | 110.8 | G895 W896 S1093 V1095 | P893-G895 PolarHBondContact O-N 3.12Å; P893-W896 HydrophobicContact CG-CB 4.33Å; P893-W896 HydrophobicContact CG-CG 4.03Å; P893-W896 PolarHBondContact O-N 2.9Å; P893-S1093 WeakPolarHBondContact CB-O 3.49Å; P893-S1093 WeakPolarHBondContact CG-O 3.19Å; P893-V1095 WeakPolarHBondContact CG-O 3.47Å |
| 894 | T | 79.1 | Confident | 85.6 | Confident | 132 Ų | 132 | 57.3 Ų | 57.3 | 81% | 0.81 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 136.6 | 174.3 | -53.6 | 0 | 0 | 0 | 0 | 110 | S1092 | T894-S1092 WeakPolarHBondContact O-CB 2.9Å; T894-S1092 PolarHBondContact O-OG 2.59Å |
| 895 | G | 79.1 | Confident | 85.4 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -9.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | P893 P1084 K1085 S1089 | P893-G895 PolarHBondContact O-N 3.12Å; G895-P1084 CarbonylContact O-C 3.41Å; G895-P1084 WeakPolarHBondContact O-CA 3.41Å; G895-K1085 WeakPolarHBondContact O-CB 3.4Å; G895-K1085 PolarHBondContact O-N 3.31Å; G895-S1089 WeakPolarHBondContact O-CB 3.38Å |
| 896 | W | 85.5 | Confident | 84.9 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 10% | 0.095 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 150.5 | 179.5 | -69.2 | 78.7 | 0 | 0 | 0 | 112.7 | V849 L892 P893 L1082 K1085 S1092 S1093 C1094 | V849-W896 HydrophobicContact CB-CH2 4.42Å; V849-W896 HydrophobicContact CB-CZ3 4.15Å; V849-W896 HydrophobicContact CG1-CH2 4.47Å; V849-W896 HydrophobicContact CG1-CZ3 4.32Å; V849-W896 HydrophobicContact CG2-CH2 4.02Å; V849-W896 HydrophobicContact CG2-CZ3 4.18Å; L892-W896 HydrophobicContact CB-CB 4.3Å; P893-W896 HydrophobicContact CG-CB 4.33Å; P893-W896 HydrophobicContact CG-CG 4.03Å; P893-W896 PolarHBondContact O-N 2.9Å; W896-L1082 HydrophobicContact CE3-CB 3.78Å; W896-L1082 HydrophobicContact CZ3-CB 4.1Å; W896-K1085 VanDerWaalsContact O-CE 3.31Å; W896-K1085 WeakPolarHBondContact O-CE 3.43Å; W896-S1092 PolarHBondContact NE1-O 3.22Å; W896-S1093 PolarHBondContact NE1-O 2.85Å; W896-C1094 HydrophobicContact CH2-CB 4.09Å; W896-C1094 HydrophobicContact CZ2-CB 3.67Å |
| 897 | E | 89.6 | Confident | 84.6 | Confident | 92 Ų | 92 | 53 Ų | 53 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.2 | 172.3 | 62.7 | 177.5 | -162.5 | 0 | 0 | 112.7 | L892 L1082 A1083 K1085 | L892-E897 VanDerWaalsContact CD1-CA 3.43Å; E897-L1082 WeakPolarHBondContact O-CA 3.24Å; E897-A1083 PolarHBondContact N-O 2.89Å; E897-A1083 PolarHBondContact O-N 3.11Å; E897-K1085 HydrophobicContact CB-CG 3.81Å; E897-K1085 HydrophobicContact CG-CG 3.86Å |
| 898 | W | 90.6 | Very high | 83.9 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 25% | 0.25 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133.3 | 175.8 | -69.9 | 118.7 | 0 | 0 | 0 | 109.8 | A851 I890 L892 W902 R1080 L1082 | A851-W898 HydrophobicContact CB-CH2 3.62Å; A851-W898 HydrophobicContact CB-CZ3 3.67Å; I890-W898 HydrophobicContact CB-CZ2 4.32Å; I890-W898 HydrophobicContact CG2-CH2 3.85Å; I890-W898 HydrophobicContact CG2-CZ2 3.86Å; L892-W898 HydrophobicContact CD1-CB 4.44Å; L892-W898 HydrophobicContact CD1-CD2 3.82Å; L892-W898 HydrophobicContact CD1-CG 3.73Å; L892-W898 VanDerWaalsContact CD1-N 3.35Å; L892-W898 HydrophobicContact CD2-CD2 3.8Å; L892-W898 VanDerWaalsContact CD2-CE2 3.4Å; L892-W898 HydrophobicContact CD2-CE3 4.03Å; L892-W898 HydrophobicContact CD2-CH2 3.58Å; L892-W898 HydrophobicContact CD2-CZ2 3.3Å; L892-W898 HydrophobicContact CD2-CZ3 3.94Å; L892-W898 HydrophobicContact CG-CD2 4.06Å; L892-W898 HydrophobicContact CG-CG 4.37Å; L892-W898 HydrophobicContact CG-CZ2 3.9Å; W898-W902 HydrophobicContact CH2-CZ2 4.44Å; W898-R1080 HydrophobicContact CD2-CG 4.33Å; W898-R1080 HydrophobicContact CE3-CB 4.15Å; W898-R1080 VanDerWaalsContact CE3-CD 3.41Å; W898-R1080 HydrophobicContact CE3-CG 3.58Å; W898-R1080 HydrophobicContact CZ3-CB 3.95Å; W898-R1080 HydrophobicContact CZ3-CG 3.92Å; W898-L1082 HydrophobicContact CE3-CD1 4.43Å; W898-L1082 HydrophobicContact CE3-CD2 4.18Å; W898-L1082 HydrophobicContact CE3-CG 3.76Å; W898-L1082 HydrophobicContact CH2-CD2 4.16Å; W898-L1082 HydrophobicContact CH2-CG 4.4Å; W898-L1082 HydrophobicContact CZ3-CD1 3.82Å; W898-L1082 HydrophobicContact CZ3-CD2 3.75Å; W898-L1082 HydrophobicContact CZ3-CG 3.53Å |
| 899 | V | 85.7 | Confident | 83.6 | Confident | 72 Ų | 72 | 45.7 Ų | 45.7 | 44% | 0.436 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112.1 | 171.9 | -179 | 0 | 0 | 0 | 0 | 108.4 | A1081 A1083 | V899-A1081 HydrophobicContact CB-CB 4.15Å; V899-A1081 PolarHBondContact N-O 3.43Å; V899-A1083 HydrophobicContact CG2-CB 3.49Å; V899-A1083 VanDerWaalsContact CG2-CB 3.49Å |
| 900 | G | 87.6 | Confident | 83.1 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 55% | 0.546 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 71 | -172.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1080 | G900-R1080 PolarHBondContact O-NE 3.14Å; G900-R1080 PolarHBondContact O-NH2 3.44Å |
| 901 | D | 90 | Very high | 82.2 | Confident | 127 Ų | 127 | 48.5 Ų | 48.5 | 68% | 0.679 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 167.3 | 177.4 | -76.7 | -34.4 | 0 | 0 | 0 | 112 | Y903 R1080 | D901-Y903 PolarHBondContact O-N 3.21Å; D901-R1080 IonicContact OD1-NH2 2.72Å; D901-R1080 PolarHBondContact OD1-NH2 2.97Å |
| 902 | W | 90 | Very high | 81.4 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 128.8 | 173.3 | -73.3 | 98.3 | 0 | 0 | 0 | 110.8 | A851 T853 K887 I890 W898 W1078 H1079 R1080 | A851-W902 HydrophobicContact CB-CH2 3.82Å; A851-W902 HydrophobicContact CB-CZ3 4.42Å; T853-W902 HydrophobicContact CG2-CE3 4.26Å; T853-W902 HydrophobicContact CG2-CH2 3.87Å; T853-W902 HydrophobicContact CG2-CZ3 3.7Å; K887-W902 HydrophobicContact CB-CD2 4.44Å; K887-W902 HydrophobicContact CB-CZ2 4.28Å; K887-W902 HydrophobicContact CD-CB 4.06Å; K887-W902 HydrophobicContact CD-CD2 3.83Å; K887-W902 HydrophobicContact CD-CE3 4.4Å; K887-W902 HydrophobicContact CD-CG 3.67Å; K887-W902 HydrophobicContact CG-CD2 3.92Å; K887-W902 HydrophobicContact CG-CE3 4.41Å; K887-W902 HydrophobicContact CG-CG 4.22Å; K887-W902 HydrophobicContact CG-CZ2 4.23Å; I890-W902 HydrophobicContact CD1-CH2 3.73Å; I890-W902 HydrophobicContact CD1-CZ2 3.87Å; W898-W902 HydrophobicContact CH2-CZ2 4.44Å; W902-W1078 HydrophobicContact CB-CE3 3.95Å; W902-W1078 HydrophobicContact CB-CZ3 4.36Å; W902-W1078 HydrophobicContact CE3-CB 3.86Å; W902-W1078 HydrophobicContact CZ3-CB 4.29Å; W902-H1079 WeakPolarHBondContact CA-O 3.3Å; W902-H1079 VanDerWaalsContact CE3-C 3.48Å; W902-R1080 HydrophobicContact CD2-CB 3.59Å; W902-R1080 HydrophobicContact CD2-CG 4.39Å; W902-R1080 HydrophobicContact CE3-CB 3.62Å; W902-R1080 HydrophobicContact CG-CB 4.08Å; W902-R1080 HydrophobicContact CG-CG 4.46Å; W902-R1080 HydrophobicContact CH2-CB 4.24Å; W902-R1080 HydrophobicContact CZ2-CB 4.22Å; W902-R1080 HydrophobicContact CZ3-CB 3.94Å |
| 903 | Y | 87.9 | Confident | 80.7 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154.4 | 176.6 | 64.5 | -87.9 | 0 | 0 | 0 | 111.2 | D901 W1078 H1079 | D901-Y903 PolarHBondContact O-N 3.21Å; Y903-W1078 WeakPolarHBondContact O-CA 3.46Å; Y903-H1079 WeakPolarHBondContact CD1-O 3.32Å; Y903-H1079 HydrophobicContact CE1-CB 4.1Å; Y903-H1079 HydrophobicContact CE2-CB 3.92Å; Y903-H1079 PolarHBondContact N-O 3.27Å; Y903-H1079 PolarHBondContact O-N 3.36Å |
| 904 | V | 84.4 | Confident | 80.3 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.6 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | A1052 R1076 R1077 W1078 | V904-A1052 HydrophobicContact CG1-CB 3.46Å; V904-A1052 VanDerWaalsContact CG1-CB 3.46Å; V904-R1076 HydrophobicContact CG1-CG 3.84Å; V904-R1076 HydrophobicContact CG2-CG 4.29Å; V904-R1077 WeakPolarHBondContact CA-O 3.2Å; V904-W1078 HydrophobicContact CG2-CD2 4.05Å; V904-W1078 HydrophobicContact CG2-CE3 3.92Å; V904-W1078 HydrophobicContact CG2-CH2 3.74Å; V904-W1078 HydrophobicContact CG2-CZ2 3.88Å; V904-W1078 HydrophobicContact CG2-CZ3 3.77Å |
| 905 | S | 82.9 | Confident | 79.6 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -131.4 | 83.1 | -174.9 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | R1077 H1079 | S905-R1077 PolarHBondContact N-O 3.06Å; S905-R1077 VanDerWaalsContact O-CZ 3.23Å; S905-R1077 PolarHBondContact O-NE 3.35Å; S905-R1077 PolarHBondContact O-NH2 3.23Å; S905-H1079 VanDerWaalsContact CB-ND1 3.29Å; S905-H1079 WeakPolarHBondContact CB-ND1 3.45Å; S905-H1079 PolarHBondContact OG-ND1 3.12Å | ||
| 906 | P | 76.3 | Confident | 78.9 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -64.8 | 153.3 | -176 | 26.6 | -33.5 | 0 | 0 | 0 | 112.1 | L1042 A1052 R1077 | P906-L1042 HydrophobicContact CG-CD1 4.37Å; P906-A1052 HydrophobicContact CB-CB 4.22Å; P906-A1052 HydrophobicContact CG-CB 4.34Å; P906-R1077 PolarHBondContact O-NH2 2.82Å | ||
| 907 | E | 81 | Confident | 77.8 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | trans | -72.9 | 131.2 | 177 | -164.1 | -69.6 | 133.2 | 0 | 0 | 111.1 | S909 L910 | E907-S909 PolarHBondContact O-N 3.2Å; E907-S909 WeakPolarHBondContact OE1-CB 3.2Å; E907-S909 PolarHBondContact OE1-N 2.89Å; E907-S909 PolarHBondContact OE1-OG 2.85Å; E907-S909 VanDerWaalsContact OE2-CA 3.31Å; E907-S909 WeakPolarHBondContact OE2-CA 3.26Å; E907-S909 VanDerWaalsContact OE2-CB 3.25Å; E907-S909 WeakPolarHBondContact OE2-CB 3.31Å; E907-S909 PolarHBondContact OE2-N 3.47Å; E907-S909 PolarHBondContact OE2-OG 3.16Å; E907-L910 HydrophobicContact CB-CD1 4.05Å; E907-L910 HydrophobicContact CB-CG 4.22Å; E907-L910 WeakPolarHBondContact O-CB 3.39Å; E907-L910 PolarHBondContact O-N 3.29Å; E907-L910 PolarHBondContact OE2-N 2.89Å | ||
| 908 | L | 75.3 | Confident | 76.6 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 20% | 0.199 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -65.3 | -39.2 | -169.6 | -75.7 | 169.9 | 0 | 0 | 0 | 112.9 | W619 L910 L911 Y912 | W619-L908 WeakPolarHBondContact O-CD1 3.49Å; L908-L910 PolarHBondContact O-N 2.79Å; L908-L911 HydrophobicContact CD2-CD1 4.2Å; L908-L911 WeakPolarHBondContact O-CB 3.36Å; L908-L911 PolarHBondContact O-N 3.32Å; L908-L911 VanDerWaalsContact O-N 3.07Å; L908-Y912 WeakPolarHBondContact O-CD2 3.39Å |
| 909 | S | 76.8 | Confident | 75.2 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -63.3 | -24.2 | 179.5 | 80.7 | 0 | 0 | 0 | 0 | 113 | N606 E907 L911 Y912 | N606-S909 WeakPolarHBondContact CB-OG 3.3Å; N606-S909 PolarHBondContact N-OG 3.12Å; N606-S909 PolarHBondContact ND2-OG 3.27Å; N606-S909 WeakPolarHBondContact O-CB 3.31Å; E907-S909 PolarHBondContact O-N 3.2Å; E907-S909 WeakPolarHBondContact OE1-CB 3.2Å; E907-S909 PolarHBondContact OE1-N 2.89Å; E907-S909 PolarHBondContact OE1-OG 2.85Å; E907-S909 VanDerWaalsContact OE2-CA 3.31Å; E907-S909 WeakPolarHBondContact OE2-CA 3.26Å; E907-S909 VanDerWaalsContact OE2-CB 3.25Å; E907-S909 WeakPolarHBondContact OE2-CB 3.31Å; E907-S909 PolarHBondContact OE2-N 3.47Å; E907-S909 PolarHBondContact OE2-OG 3.16Å; S909-L911 PolarHBondContact O-N 3.02Å; S909-Y912 WeakPolarHBondContact O-CB 3.4Å; S909-Y912 PolarHBondContact O-N 3.25Å |
| 910 | L | 74.5 | Confident | 74.4 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -68.6 | -17.7 | 174.8 | -62.4 | 178 | 0 | 0 | 0 | 113.8 | E907 L908 Y912 E1054 F1063 T1065 | E907-L910 HydrophobicContact CB-CD1 4.05Å; E907-L910 HydrophobicContact CB-CG 4.22Å; E907-L910 WeakPolarHBondContact O-CB 3.39Å; E907-L910 PolarHBondContact O-N 3.29Å; E907-L910 PolarHBondContact OE2-N 2.89Å; L908-L910 PolarHBondContact O-N 2.79Å; L910-Y912 VanDerWaalsContact C-N 3.29Å; L910-E1054 HydrophobicContact CD1-CB 4.33Å; L910-E1054 VanDerWaalsContact CD1-CD 3.45Å; L910-E1054 HydrophobicContact CD1-CG 3.63Å; L910-F1063 VanDerWaalsContact CD2-O 3.22Å; L910-F1063 WeakPolarHBondContact CD2-O 3.31Å; L910-T1065 HydrophobicContact CB-CG2 3.94Å; L910-T1065 WeakPolarHBondContact O-CG2 3.19Å |
| 911 | L | 66 | Low | 73.8 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 34% | 0.34 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -77.9 | -17.8 | 174.9 | -56.7 | 175.5 | 0 | 0 | 0 | 112 | L908 S909 L1042 | L908-L911 HydrophobicContact CD2-CD1 4.2Å; L908-L911 WeakPolarHBondContact O-CB 3.36Å; L908-L911 PolarHBondContact O-N 3.32Å; L908-L911 VanDerWaalsContact O-N 3.07Å; S909-L911 PolarHBondContact O-N 3.02Å; L911-L1042 HydrophobicContact CD1-CD1 4.45Å; L911-L1042 HydrophobicContact CD2-CD1 4.38Å; L911-L1042 HydrophobicContact CD2-CD2 4.01Å; L911-L1042 HydrophobicContact CD2-CG 4.41Å |
| 912 | Y | 67.4 | Low | 73.5 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -82.4 | 126 | 179.1 | -69.8 | -105.1 | 0 | 0 | 0 | 110.3 | V608 P618 L908 S909 L910 A916 | V608-Y912 HydrophobicContact CB-CD1 4.43Å; V608-Y912 HydrophobicContact CG1-CD1 3.51Å; V608-Y912 HydrophobicContact CG1-CE1 4.02Å; V608-Y912 HydrophobicContact CG1-CG 4.07Å; V608-Y912 HydrophobicContact CG2-CD1 4.1Å; V608-Y912 HydrophobicContact CG2-CD2 4.2Å; V608-Y912 HydrophobicContact CG2-CG 3.83Å; P618-Y912 HydrophobicContact CB-CE2 3.72Å; P618-Y912 HydrophobicContact CG-CD2 4.19Å; P618-Y912 HydrophobicContact CG-CE2 3.78Å; L908-Y912 WeakPolarHBondContact O-CD2 3.39Å; S909-Y912 WeakPolarHBondContact O-CB 3.4Å; S909-Y912 PolarHBondContact O-N 3.25Å; L910-Y912 VanDerWaalsContact C-N 3.29Å; Y912-A916 HydrophobicContact CD1-CB 3.72Å; Y912-A916 HydrophobicContact CG-CB 4.33Å |
| 913 | K | 67 | Low | 73.3 | Confident | 152 Ų | 152 | 49.4 Ų | 49.4 | 66% | 0.661 | 26% | 0.255 | S | S | * | . | trans | -76.4 | 165.1 | 173.7 | -66.6 | -179.4 | -176.6 | 174.1 | 0 | 110.8 | D915 A916 | K913-D915 WeakPolarHBondContact CB-OD1 3.26Å; K913-D915 PolarHBondContact O-N 3.02Å; K913-D915 VanDerWaalsContact O-N 3.12Å; K913-A916 WeakPolarHBondContact O-CB 3.14Å; K913-A916 PolarHBondContact O-N 2.76Å | ||
| 914 | K | 68.9 | Low | 73.4 | Confident | 128 Ų | 128 | 48.6 Ų | 48.6 | 56% | 0.557 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.2 | 177.7 | -69.8 | -173.3 | 179.6 | 179.7 | 0 | 113.8 | F921 E924 | K914-F921 HydrophobicContact CB-CE2 4.01Å; K914-F921 HydrophobicContact CB-CZ 3.97Å; K914-F921 WeakPolarHBondContact O-CE2 3.46Å; K914-E924 IonicContact NZ-OE1 3.91Å |
| 915 | D | 65.5 | Low | 73.7 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -0.2 | 178.4 | 64 | -27.6 | 0 | 0 | 0 | 113.4 | K913 G917 K918 F921 R1013 | K913-D915 WeakPolarHBondContact CB-OD1 3.26Å; K913-D915 PolarHBondContact O-N 3.02Å; K913-D915 VanDerWaalsContact O-N 3.12Å; D915-G917 PolarHBondContact O-N 2.72Å; D915-K918 PolarHBondContact O-N 2.82Å; D915-K918 VanDerWaalsContact O-N 3.1Å; D915-F921 HydrophobicContact CB-CB 4.18Å; D915-F921 HydrophobicContact CB-CD1 4.15Å; D915-F921 HydrophobicContact CB-CD2 3.36Å; D915-F921 HydrophobicContact CB-CE1 4.37Å; D915-F921 HydrophobicContact CB-CE2 3.64Å; D915-F921 HydrophobicContact CB-CG 3.62Å; D915-F921 HydrophobicContact CB-CZ 4.13Å; D915-R1013 IonicContact OD2-CZ 2.97Å; D915-R1013 VanDerWaalsContact OD2-CZ 3.28Å; D915-R1013 IonicContact OD2-NH1 3.24Å; D915-R1013 PolarHBondContact OD2-NH1 3.35Å; D915-R1013 IonicContact OD2-NH2 3.83Å; D915-R1013 PolarHBondContact OD2-NH2 3.22Å |
| 916 | A | 64.9 | Low | 74.1 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 135 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y912 K913 K918 | Y912-A916 HydrophobicContact CD1-CB 3.72Å; Y912-A916 HydrophobicContact CG-CB 4.33Å; K913-A916 WeakPolarHBondContact O-CB 3.14Å; K913-A916 PolarHBondContact O-N 2.76Å; A916-K918 VanDerWaalsContact C-N 3.27Å; A916-K918 PolarHBondContact O-N 2.69Å |
| 917 | G | 60.4 | Low | 75 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -36.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S609 G611 D915 K1023 | S609-G917 WeakPolarHBondContact O-CA 3.41Å; G611-G917 VanDerWaalsContact CA-C 3.49Å; G611-G917 WeakPolarHBondContact CA-O 3.29Å; D915-G917 PolarHBondContact O-N 2.72Å; G917-K1023 VanDerWaalsContact O-CE 3.28Å; G917-K1023 WeakPolarHBondContact O-CE 3.33Å; G917-K1023 PolarHBondContact O-NZ 3.2Å |
| 918 | K | 64.9 | Low | 75.6 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 29% | 0.291 | 24% | 0.241 | S | C | . | . | trans | -81.2 | 144.1 | -163.9 | -56.3 | -172.5 | 172.2 | -173.1 | 0 | 113.3 | D915 A916 S920 F921 W964 | D915-K918 PolarHBondContact O-N 2.82Å; D915-K918 VanDerWaalsContact O-N 3.1Å; A916-K918 VanDerWaalsContact C-N 3.27Å; A916-K918 PolarHBondContact O-N 2.69Å; K918-S920 WeakPolarHBondContact CB-O 3.42Å; K918-F921 HydrophobicContact CD-CD2 3.97Å; K918-W964 VanDerWaalsContact O-CH2 3.25Å; K918-W964 WeakPolarHBondContact O-CH2 3.19Å; K918-W964 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 919 | T | 61 | Low | 76.5 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 52% | 0.515 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -97.7 | -20.5 | 173.8 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | W964 I1014 L1015 | T919-W964 WeakPolarHBondContact O-CZ3 3.42Å; T919-I1014 WeakPolarHBondContact O-CA 3.48Å; T919-L1015 PolarHBondContact O-N 3.48Å |
| 920 | S | 68.8 | Low | 77.2 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.7 | 166.9 | 70.2 | 0 | 0 | 0 | 0 | 109.7 | K918 R1013 | K918-S920 WeakPolarHBondContact CB-O 3.42Å; S920-R1013 CarbonylContact C-O 3.47Å; S920-R1013 WeakPolarHBondContact CA-O 3.08Å |
| 921 | F | 75.7 | Confident | 78.1 | Confident | 32 Ų | 32 | 50 Ų | 50 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 134 | -179.3 | -171.3 | -99.4 | 0 | 0 | 0 | 110.9 | K914 D915 K918 W964 S1012 R1013 | K914-F921 HydrophobicContact CB-CE2 4.01Å; K914-F921 HydrophobicContact CB-CZ 3.97Å; K914-F921 WeakPolarHBondContact O-CE2 3.46Å; D915-F921 HydrophobicContact CB-CB 4.18Å; D915-F921 HydrophobicContact CB-CD1 4.15Å; D915-F921 HydrophobicContact CB-CD2 3.36Å; D915-F921 HydrophobicContact CB-CE1 4.37Å; D915-F921 HydrophobicContact CB-CE2 3.64Å; D915-F921 HydrophobicContact CB-CG 3.62Å; D915-F921 HydrophobicContact CB-CZ 4.13Å; K918-F921 HydrophobicContact CD-CD2 3.97Å; F921-W964 HydrophobicContact CB-CH2 3.99Å; F921-W964 HydrophobicContact CB-CZ3 3.96Å; F921-S1012 CarbonylContact O-C 3.45Å; F921-S1012 WeakPolarHBondContact O-CA 3.43Å; F921-R1013 HydrophobicContact CB-CG 4.06Å; F921-R1013 VanDerWaalsContact CD1-NH2 3.26Å; F921-R1013 PolarHBondContact N-O 2.8Å; F921-R1013 WeakPolarHBondContact O-CG 3.5Å; F921-R1013 PolarHBondContact O-N 2.66Å |
| 922 | V | 82.9 | Confident | 79 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 111.5 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | I1010 | V922-I1010 HydrophobicContact CG1-CB 3.72Å; V922-I1010 HydrophobicContact CG1-CG2 3.95Å |
| 923 | E | 86.6 | Confident | 79.6 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138.1 | 169.5 | -157.1 | 65.3 | -142.1 | 0 | 0 | 109.5 | V958 W966 W970 I1010 R1011 R1013 | E923-V958 HydrophobicContact CG-CG1 4.19Å; E923-W966 HydrophobicContact CB-CH2 3.98Å; E923-W966 HydrophobicContact CB-CZ3 3.84Å; E923-W966 HydrophobicContact CG-CH2 4.06Å; E923-W966 HydrophobicContact CG-CZ3 4.43Å; E923-W970 HydrophobicContact CB-CH2 4.18Å; E923-W970 HydrophobicContact CG-CH2 4Å; E923-I1010 CarbonylContact O-C 3.57Å; E923-I1010 VanDerWaalsContact O-CA 3.29Å; E923-I1010 WeakPolarHBondContact O-CA 3.42Å; E923-R1011 WeakPolarHBondContact CA-O 3.22Å; E923-R1011 WeakPolarHBondContact CB-O 3.29Å; E923-R1011 PolarHBondContact N-O 2.66Å; E923-R1011 PolarHBondContact O-N 2.95Å; E923-R1013 IonicContact OE2-CZ 3.22Å; E923-R1013 IonicContact OE2-NE 2.73Å; E923-R1013 PolarHBondContact OE2-NE 3.45Å; E923-R1013 IonicContact OE2-NH2 3.22Å |
| 924 | E | 89.8 | Confident | 80.3 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145.4 | -177.5 | 65.1 | 180 | 172.4 | 0 | 0 | 111.6 | K914 R1008 L1009 I1010 | K914-E924 IonicContact NZ-OE1 3.91Å; E924-R1008 IonicContact OE2-CZ 3.91Å; E924-R1008 VanDerWaalsContact OE2-CZ 3.25Å; E924-R1008 IonicContact OE2-NE 3.43Å; E924-R1008 PolarHBondContact OE2-NE 2.69Å; E924-R1008 IonicContact OE2-NH2 2.92Å; E924-R1008 PolarHBondContact OE2-NH2 2.96Å; E924-L1009 WeakPolarHBondContact CA-O 3.33Å; E924-I1010 HydrophobicContact CB-CG2 4.41Å |
| 925 | L | 91.4 | Very high | 81.2 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 148 | 177.8 | -157.4 | 89.4 | 0 | 0 | 0 | 108.5 | Y944 T945 K952 P955 V958 W970 R1008 L1009 | L925-Y944 HydrophobicContact CD2-CD1 3.33Å; L925-Y944 HydrophobicContact CD2-CE1 4.04Å; L925-Y944 HydrophobicContact CD2-CG 3.87Å; L925-Y944 HydrophobicContact CG-CD1 4.24Å; L925-T945 CarbonylContact C-O 3.05Å; L925-K952 HydrophobicContact CD1-CB 3.47Å; L925-K952 VanDerWaalsContact CD1-CB 3.47Å; L925-K952 HydrophobicContact CD1-CG 3.98Å; L925-P955 HydrophobicContact CD2-CB 4.32Å; L925-P955 HydrophobicContact CD2-CG 3.7Å; L925-V958 HydrophobicContact CD1-CG2 4.18Å; L925-W970 HydrophobicContact CB-CE3 4.4Å; L925-W970 HydrophobicContact CB-CH2 3.67Å; L925-W970 HydrophobicContact CB-CZ2 4.5Å; L925-W970 HydrophobicContact CB-CZ3 3.61Å; L925-R1008 CarbonylContact O-C 3.57Å; L925-R1008 WeakPolarHBondContact O-CA 3.46Å; L925-L1009 HydrophobicContact CB-CB 4.35Å; L925-L1009 HydrophobicContact CD2-CD1 4.44Å; L925-L1009 PolarHBondContact N-O 3.22Å; L925-L1009 PolarHBondContact O-N 3.16Å |
| 926 | F | 91.5 | Very high | 82.3 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.1 | 177.8 | -73 | -99.6 | 0 | 0 | 0 | 109.3 | N928 Y944 T945 A947 R1006 R1007 R1008 | F926-N928 PolarHBondContact O-ND2 3.31Å; F926-Y944 CarbonylContact O-C 3.52Å; F926-Y944 VanDerWaalsContact O-CA 3.26Å; F926-Y944 WeakPolarHBondContact O-CA 3.29Å; F926-T945 PolarHBondContact N-O 3.09Å; F926-T945 PolarHBondContact O-N 3.07Å; F926-A947 HydrophobicContact CD2-CB 4.19Å; F926-A947 HydrophobicContact CE2-CB 3.47Å; F926-A947 VanDerWaalsContact CE2-CB 3.47Å; F926-A947 HydrophobicContact CZ-CB 3.9Å; F926-R1006 HydrophobicContact CD1-CB 4.33Å; F926-R1006 VanDerWaalsContact CD1-CD 3.48Å; F926-R1006 HydrophobicContact CD1-CG 3.85Å; F926-R1006 HydrophobicContact CE1-CG 4.47Å; F926-R1007 CarbonylContact C-O 3.52Å; F926-R1007 VanDerWaalsContact CA-O 3.3Å; F926-R1007 WeakPolarHBondContact CA-O 3.31Å; F926-R1008 HydrophobicContact CD1-CB 3.98Å; F926-R1008 HydrophobicContact CD1-CG 4.35Å; F926-R1008 HydrophobicContact CD2-CG 4.5Å; F926-R1008 HydrophobicContact CE1-CB 3.59Å; F926-R1008 HydrophobicContact CE1-CG 3.79Å; F926-R1008 HydrophobicContact CE2-CG 3.89Å; F926-R1008 HydrophobicContact CZ-CB 3.92Å; F926-R1008 HydrophobicContact CZ-CG 3.54Å |
| 927 | Y | 94.1 | Very high | 83.6 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.9 | 171.7 | 171.6 | -108.5 | 0 | 0 | 0 | 109.4 | E929 V939 A943 Y944 F983 R1006 R1007 | Y927-E929 HydrophobicContact CD1-CG 4.48Å; Y927-E929 HydrophobicContact CE1-CG 3.67Å; Y927-E929 WeakPolarHBondContact CE1-OE1 3.4Å; Y927-E929 PolarHBondContact OH-OE1 3.44Å; Y927-V939 HydrophobicContact CE2-CG1 4.4Å; Y927-A943 CarbonylContact C-O 3.52Å; Y927-A943 WeakPolarHBondContact CA-O 3.29Å; Y927-Y944 HydrophobicContact CD2-CD1 4.09Å; Y927-Y944 AromaticContact CD2-CE1 3.54Å; Y927-Y944 HydrophobicContact CD2-CE1 3.54Å; Y927-Y944 HydrophobicContact CD2-CE2 4.42Å; Y927-Y944 AromaticContact CD2-CZ 3.72Å; Y927-Y944 HydrophobicContact CG-CE1 4.06Å; Y927-F983 HydrophobicContact CD1-CE1 4.16Å; Y927-F983 HydrophobicContact CD1-CZ 4.2Å; Y927-F983 HydrophobicContact CE1-CE1 4.37Å; Y927-F983 HydrophobicContact CE1-CZ 4.12Å; Y927-R1006 CarbonylContact O-C 3.45Å; Y927-R1006 WeakPolarHBondContact O-CA 3.22Å; Y927-R1007 PolarHBondContact N-O 3.07Å; Y927-R1007 PolarHBondContact O-N 3.36Å |
| 928 | N | 93.4 | Very high | 85.1 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.1 | -169.4 | -57.6 | -73.8 | 0 | 0 | 0 | 112.2 | F926 A940 A943 T945 R1005 R1006 | F926-N928 PolarHBondContact O-ND2 3.31Å; N928-A940 HydrophobicContact CB-CB 3.89Å; N928-A940 WeakPolarHBondContact O-CB 3.27Å; N928-A940 PolarHBondContact O-N 2.87Å; N928-A943 PolarHBondContact N-O 2.81Å; N928-T945 VanDerWaalsContact ND2-CG2 3.3Å; N928-T945 WeakPolarHBondContact ND2-CG2 3.49Å; N928-T945 PolarHBondContact ND2-OG1 3.23Å; N928-R1005 WeakPolarHBondContact CA-O 3.3Å; N928-R1006 WeakPolarHBondContact OD1-CB 3.46Å |
| 929 | E | 94.6 | Very high | 86.4 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151.3 | 173.5 | -66.6 | -173.2 | 166.9 | 0 | 0 | 111.2 | Y927 W937 K938 F983 F1004 R1005 | Y927-E929 HydrophobicContact CD1-CG 4.48Å; Y927-E929 HydrophobicContact CE1-CG 3.67Å; Y927-E929 WeakPolarHBondContact CE1-OE1 3.4Å; Y927-E929 PolarHBondContact OH-OE1 3.44Å; E929-W937 HydrophobicContact CB-CB 4.48Å; E929-W937 HydrophobicContact CB-CE3 4.14Å; E929-W937 WeakPolarHBondContact OE2-CB 3.37Å; E929-K938 CarbonylContact C-O 3.57Å; E929-K938 WeakPolarHBondContact CA-O 3.18Å; E929-K938 VanDerWaalsContact CB-O 3.28Å; E929-K938 WeakPolarHBondContact CB-O 3.44Å; E929-F983 HydrophobicContact CG-CE1 4.37Å; E929-F983 HydrophobicContact CG-CZ 4.49Å; E929-F1004 WeakPolarHBondContact O-CA 3.44Å; E929-R1005 HydrophobicContact CB-CG 3.86Å; E929-R1005 PolarHBondContact N-O 2.92Å; E929-R1005 PolarHBondContact O-N 3.03Å; E929-R1005 IonicContact OE2-CZ 2.69Å; E929-R1005 IonicContact OE2-NE 2.82Å; E929-R1005 PolarHBondContact OE2-NE 3.48Å; E929-R1005 IonicContact OE2-NH2 2.8Å; E929-R1005 PolarHBondContact OE2-NH2 2.87Å |
| 930 | F | 92.9 | Very high | 87.6 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150 | -176.8 | 151.2 | -97.4 | 0 | 0 | 0 | 110.8 | T932 K938 A940 M1003 F1004 | F930-T932 HydrophobicContact CE2-CG2 4.46Å; F930-T932 HydrophobicContact CZ-CG2 3.94Å; F930-K938 PolarHBondContact N-O 3.47Å; F930-K938 PolarHBondContact O-N 3.48Å; F930-A940 HydrophobicContact CB-CB 4Å; F930-M1003 CarbonylContact C-O 3.49Å; F930-M1003 VanDerWaalsContact CA-O 3.26Å; F930-M1003 WeakPolarHBondContact CA-O 3.47Å; F930-M1003 HydrophobicContact CE2-CE 4.02Å; F930-F1004 HydrophobicContact CB-CD1 3.99Å; F930-F1004 HydrophobicContact CB-CE1 3.8Å; F930-F1004 HydrophobicContact CB-CZ 4.43Å; F930-F1004 HydrophobicContact CD2-CE1 4Å; F930-F1004 HydrophobicContact CD2-CE2 4.09Å; F930-F1004 AromaticContact CD2-CZ 3.75Å; F930-F1004 HydrophobicContact CD2-CZ 3.75Å; F930-F1004 HydrophobicContact CG-CE1 4.26Å; F930-F1004 HydrophobicContact CG-CZ 4.42Å |
| 931 | R | 91.9 | Very high | 88.2 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | trans | -148.4 | 163.2 | 168.5 | 71.5 | 175.4 | -179 | -171.2 | 0.6 | 111.7 | S935 W937 E998 K999 H1002 M1003 | R931-S935 WeakPolarHBondContact CA-OG 3.32Å; R931-W937 HydrophobicContact CB-CD2 4.18Å; R931-W937 HydrophobicContact CB-CE3 3.88Å; R931-W937 HydrophobicContact CB-CZ3 4.21Å; R931-W937 HydrophobicContact CG-CD2 4.01Å; R931-W937 HydrophobicContact CG-CE3 3.76Å; R931-W937 HydrophobicContact CG-CH2 3.82Å; R931-W937 HydrophobicContact CG-CZ2 4.06Å; R931-W937 HydrophobicContact CG-CZ3 3.67Å; R931-W937 VanDerWaalsContact CZ-CZ2 3.43Å; R931-W937 VanDerWaalsContact NE-CZ2 3.28Å; R931-E998 IonicContact CZ-OE1 2.87Å; R931-E998 IonicContact NH1-OE1 3.58Å; R931-E998 PolarHBondContact NH1-OE1 3.38Å; R931-E998 IonicContact NH1-OE2 2.72Å; R931-E998 IonicContact NH2-OE1 3.01Å; R931-E998 PolarHBondContact NH2-OE1 3.31Å; R931-K999 PolarHBondContact NH2-O 2.94Å; R931-H1002 PolarHBondContact NE-O 2.98Å; R931-H1002 PolarHBondContact NH2-O 3.37Å; R931-M1003 PolarHBondContact N-O 2.78Å; R931-M1003 VanDerWaalsContact O-CA 3.32Å; R931-M1003 WeakPolarHBondContact O-CA 3.37Å; R931-M1003 WeakPolarHBondContact O-CB 3.39Å; R931-M1003 WeakPolarHBondContact O-CG 3.42Å | ||
| 932 | T | 85.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 31% | 0.307 | 31% | 0.312 | S | S | . | . | trans | -92.5 | 163.2 | 155.6 | 64.3 | 0 | 0 | 0 | 0 | 109.7 | F930 T934 S935 | F930-T932 HydrophobicContact CE2-CG2 4.46Å; F930-T932 HydrophobicContact CZ-CG2 3.94Å; T932-T934 PolarHBondContact O-N 3.46Å; T932-S935 PolarHBondContact N-OG 3.41Å; T932-S935 PolarHBondContact O-N 3.47Å; T932-S935 WeakPolarHBondContact OG1-CB 3.48Å; T932-S935 PolarHBondContact OG1-N 3.25Å; T932-S935 PolarHBondContact OG1-OG 3.26Å | ||
| 933 | P | 79.7 | Confident | 88.9 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -14.7 | 178.7 | -28.2 | 35.9 | 0 | 0 | 0 | 115.4 | ||
| 934 | T | 82.8 | Confident | 89.1 | Confident | 138 Ų | 138 | 57.6 Ų | 57.6 | 85% | 0.847 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -3 | 179.8 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | T932 | T932-T934 PolarHBondContact O-N 3.46Š|
| 935 | S | 86.6 | Confident | 89 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -107.5 | 154.3 | -179.4 | 81.2 | 0 | 0 | 0 | 0 | 112.3 | R931 T932 | R931-S935 WeakPolarHBondContact CA-OG 3.32Å; T932-S935 PolarHBondContact N-OG 3.41Å; T932-S935 PolarHBondContact O-N 3.47Å; T932-S935 WeakPolarHBondContact OG1-CB 3.48Å; T932-S935 PolarHBondContact OG1-N 3.25Å; T932-S935 PolarHBondContact OG1-OG 3.26Å |
| 936 | P | 89.9 | Confident | 88.6 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | trans | -67.8 | 162.7 | 167.1 | 30 | -34.8 | 0 | 0 | 0 | 111.3 | ||||
| 937 | W | 92.2 | Very high | 88 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | trans | -62.6 | 135.4 | 172.7 | -66.5 | 111.7 | 0 | 0 | 0 | 111.3 | E929 R931 Y985 E998 M1003 F1004 R1005 | E929-W937 HydrophobicContact CB-CB 4.48Å; E929-W937 HydrophobicContact CB-CE3 4.14Å; E929-W937 WeakPolarHBondContact OE2-CB 3.37Å; R931-W937 HydrophobicContact CB-CD2 4.18Å; R931-W937 HydrophobicContact CB-CE3 3.88Å; R931-W937 HydrophobicContact CB-CZ3 4.21Å; R931-W937 HydrophobicContact CG-CD2 4.01Å; R931-W937 HydrophobicContact CG-CE3 3.76Å; R931-W937 HydrophobicContact CG-CH2 3.82Å; R931-W937 HydrophobicContact CG-CZ2 4.06Å; R931-W937 HydrophobicContact CG-CZ3 3.67Å; R931-W937 VanDerWaalsContact CZ-CZ2 3.43Å; R931-W937 VanDerWaalsContact NE-CZ2 3.28Å; W937-Y985 HydrophobicContact CH2-CD1 4.06Å; W937-Y985 HydrophobicContact CH2-CE1 4.36Å; W937-Y985 AromaticContact CZ2-CD1 3.63Å; W937-Y985 HydrophobicContact CZ2-CD1 3.63Å; W937-Y985 AromaticContact CZ2-CE1 3.57Å; W937-Y985 HydrophobicContact CZ2-CE1 3.57Å; W937-E998 PolarHBondContact NE1-OE2 3.19Å; W937-M1003 WeakPolarHBondContact CZ3-O 3.46Å; W937-F1004 VanDerWaalsContact CH2-C 3.47Å; W937-F1004 VanDerWaalsContact CZ3-C 3.46Å; W937-R1005 HydrophobicContact CD2-CG 3.92Å; W937-R1005 HydrophobicContact CE3-CB 4.42Å; W937-R1005 HydrophobicContact CE3-CG 3.66Å; W937-R1005 HydrophobicContact CH2-CB 3.8Å; W937-R1005 HydrophobicContact CH2-CG 3.93Å; W937-R1005 HydrophobicContact CZ2-CB 4.17Å; W937-R1005 HydrophobicContact CZ2-CG 4.15Å; W937-R1005 HydrophobicContact CZ3-CB 3.93Å; W937-R1005 HydrophobicContact CZ3-CG 3.67Å | ||
| 938 | K | 91.9 | Very high | 87.1 | Confident | 131 Ų | 131 | 59 Ų | 59 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 158.9 | 175.7 | -63.4 | -179.4 | -177.5 | 179 | 0 | 109.1 | E929 F930 A940 | E929-K938 CarbonylContact C-O 3.57Å; E929-K938 WeakPolarHBondContact CA-O 3.18Å; E929-K938 VanDerWaalsContact CB-O 3.28Å; E929-K938 WeakPolarHBondContact CB-O 3.44Å; F930-K938 PolarHBondContact N-O 3.47Å; F930-K938 PolarHBondContact O-N 3.48Å; K938-A940 PolarHBondContact O-N 3.41Å |
| 939 | V | 90.5 | Very high | 86.1 | Confident | 84 Ų | 84 | 60 Ų | 60 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 126.4 | 174.5 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | Y927 A943 | Y927-V939 HydrophobicContact CE2-CG1 4.4Å; V939-A943 HydrophobicContact CG1-CB 3.4Å |
| 940 | A | 87 | Confident | 85.3 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 156.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N928 F930 K938 P942 A943 | N928-A940 HydrophobicContact CB-CB 3.89Å; N928-A940 WeakPolarHBondContact O-CB 3.27Å; N928-A940 PolarHBondContact O-N 2.87Å; F930-A940 HydrophobicContact CB-CB 4Å; K938-A940 PolarHBondContact O-N 3.41Å; A940-P942 CarbonylContact O-C 3.48Å; A940-A943 WeakPolarHBondContact O-CA 3.31Å; A940-A943 PolarHBondContact O-N 3.34Å |
| 941 | E | 82.4 | Confident | 84.9 | Confident | 199 Ų | 199 | 62.4 Ų | 62.4 | 93% | 0.93 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115.6 | 163.9 | -75.3 | -166.3 | 172.4 | 0 | 0 | 108.8 | ||
| 942 | P | 83.5 | Confident | 84.4 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 29% | 0.286 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -76.5 | 146.2 | -0.2 | 32 | -36.5 | 0 | 0 | 0 | 114.6 | A940 T945 L951 | A940-P942 CarbonylContact O-C 3.48Å; P942-T945 HydrophobicContact CB-CG2 4.22Å; P942-T945 HydrophobicContact CG-CG2 3.48Å; P942-T945 VanDerWaalsContact CG-CG2 3.48Å; P942-L951 HydrophobicContact CB-CB 4.1Å; P942-L951 HydrophobicContact CB-CD1 3.38Å; P942-L951 HydrophobicContact CB-CG 4.28Å; P942-L951 HydrophobicContact CG-CB 4.42Å |
| 943 | A | 88 | Confident | 84.2 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -39.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y927 N928 V939 A940 | Y927-A943 CarbonylContact C-O 3.52Å; Y927-A943 WeakPolarHBondContact CA-O 3.29Å; N928-A943 PolarHBondContact N-O 2.81Å; V939-A943 HydrophobicContact CG1-CB 3.4Å; A940-A943 WeakPolarHBondContact O-CA 3.31Å; A940-A943 PolarHBondContact O-N 3.34Å |
| 944 | Y | 92 | Very high | 84.4 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.8 | 179.1 | -64.5 | -78.6 | 0 | 0 | 0 | 110.5 | L925 F926 Y927 K952 E954 P955 L1009 | L925-Y944 HydrophobicContact CD2-CD1 3.33Å; L925-Y944 HydrophobicContact CD2-CE1 4.04Å; L925-Y944 HydrophobicContact CD2-CG 3.87Å; L925-Y944 HydrophobicContact CG-CD1 4.24Å; F926-Y944 CarbonylContact O-C 3.52Å; F926-Y944 VanDerWaalsContact O-CA 3.26Å; F926-Y944 WeakPolarHBondContact O-CA 3.29Å; Y927-Y944 HydrophobicContact CD2-CD1 4.09Å; Y927-Y944 AromaticContact CD2-CE1 3.54Å; Y927-Y944 HydrophobicContact CD2-CE1 3.54Å; Y927-Y944 HydrophobicContact CD2-CE2 4.42Å; Y927-Y944 AromaticContact CD2-CZ 3.72Å; Y927-Y944 HydrophobicContact CG-CE1 4.06Å; Y944-K952 PolarHBondContact O-N 3.39Å; Y944-E954 HydrophobicContact CD2-CB 4.13Å; Y944-E954 HydrophobicContact CE2-CB 3.97Å; Y944-P955 HydrophobicContact CD1-CG 4.43Å; Y944-P955 HydrophobicContact CE1-CG 3.87Å; Y944-L1009 HydrophobicContact CE1-CD1 4.2Å |
| 945 | T | 88 | Confident | 84.4 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 172.4 | 177.5 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | L925 F926 N928 P942 G949 E950 | L925-T945 CarbonylContact C-O 3.05Å; F926-T945 PolarHBondContact N-O 3.09Å; F926-T945 PolarHBondContact O-N 3.07Å; N928-T945 VanDerWaalsContact ND2-CG2 3.3Å; N928-T945 WeakPolarHBondContact ND2-CG2 3.49Å; N928-T945 PolarHBondContact ND2-OG1 3.23Å; P942-T945 HydrophobicContact CB-CG2 4.22Å; P942-T945 HydrophobicContact CG-CG2 3.48Å; P942-T945 VanDerWaalsContact CG-CG2 3.48Å; T945-G949 WeakPolarHBondContact CG2-O 3.24Å; T945-E950 CarbonylContact C-O 3.51Å; T945-E950 WeakPolarHBondContact CA-O 3.41Å; T945-E950 WeakPolarHBondContact CB-O 3.4Å |
| 946 | D | 83.4 | Confident | 84.2 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | trans | -80.2 | -176.3 | 157.3 | 66.2 | 16 | 0 | 0 | 0 | 111.6 | Q948 G949 E950 K952 | D946-Q948 PolarHBondContact O-N 2.92Å; D946-Q948 VanDerWaalsContact O-N 3.13Å; D946-Q948 WeakPolarHBondContact OD1-CA 3.33Å; D946-Q948 WeakPolarHBondContact OD1-CB 3.32Å; D946-Q948 PolarHBondContact OD1-N 3.33Å; D946-G949 PolarHBondContact O-N 3.15Å; D946-G949 VanDerWaalsContact O-N 3.14Å; D946-G949 PolarHBondContact OD1-N 3.4Å; D946-E950 PolarHBondContact N-O 3.45Å; D946-E950 PolarHBondContact OD1-N 2.92Å; D946-K952 HydrophobicContact CB-CG 4.35Å | ||
| 947 | A | 78.4 | Confident | 83.9 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 19% | 0.19 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F926 R1006 | F926-A947 HydrophobicContact CD2-CB 4.19Å; F926-A947 HydrophobicContact CE2-CB 3.47Å; F926-A947 VanDerWaalsContact CE2-CB 3.47Å; F926-A947 HydrophobicContact CZ-CB 3.9Å; A947-R1006 PolarHBondContact O-NH1 2.77Å |
| 948 | Q | 74.2 | Confident | 83.4 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -3.7 | -178.1 | -69.7 | 69.4 | 51.8 | 0 | 0 | 112.8 | D946 | D946-Q948 PolarHBondContact O-N 2.92Å; D946-Q948 VanDerWaalsContact O-N 3.13Å; D946-Q948 WeakPolarHBondContact OD1-CA 3.33Å; D946-Q948 WeakPolarHBondContact OD1-CB 3.32Å; D946-Q948 PolarHBondContact OD1-N 3.33Å |
| 949 | G | 73.2 | Confident | 82.8 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | trans | 91.5 | 9.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | T945 D946 | T945-G949 WeakPolarHBondContact CG2-O 3.24Å; D946-G949 PolarHBondContact O-N 3.15Å; D946-G949 VanDerWaalsContact O-N 3.14Å; D946-G949 PolarHBondContact OD1-N 3.4Å | ||
| 950 | E | 78.2 | Confident | 82.1 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | trans | -74.3 | 135.1 | 175.5 | -71.5 | -53.3 | 132.9 | 0 | 0 | 111.6 | T945 D946 K952 R1068 K1069 | T945-E950 CarbonylContact C-O 3.51Å; T945-E950 WeakPolarHBondContact CA-O 3.41Å; T945-E950 WeakPolarHBondContact CB-O 3.4Å; D946-E950 PolarHBondContact N-O 3.45Å; D946-E950 PolarHBondContact OD1-N 2.92Å; E950-K952 PolarHBondContact O-N 3.47Å; E950-R1068 HydrophobicContact CG-CB 4.26Å; E950-R1068 HydrophobicContact CG-CG 4.43Å; E950-K1069 WeakPolarHBondContact OE1-CA 3.35Å; E950-K1069 WeakPolarHBondContact OE1-CB 3.4Å; E950-K1069 VanDerWaalsContact OE1-CG 3.29Å; E950-K1069 WeakPolarHBondContact OE1-CG 3.42Å; E950-K1069 PolarHBondContact OE1-N 2.99Å | ||
| 951 | L | 83.5 | Confident | 81.4 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 58% | 0.581 | 37% | 0.365 | S | S | * | . | B | Isolated β-bridge | trans | -56.1 | 125.9 | 179.1 | 171.2 | 68.1 | 0 | 0 | 0 | 109.9 | P942 | P942-L951 HydrophobicContact CB-CB 4.1Å; P942-L951 HydrophobicContact CB-CD1 3.38Å; P942-L951 HydrophobicContact CB-CG 4.28Å; P942-L951 HydrophobicContact CG-CB 4.42Å |
| 952 | K | 82.3 | Confident | 80.8 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | trans | -116.6 | 156.9 | 169.8 | -70.8 | -73.8 | -173.6 | 164.4 | 0 | 109.4 | L925 Y944 D946 E950 | L925-K952 HydrophobicContact CD1-CB 3.47Å; L925-K952 VanDerWaalsContact CD1-CB 3.47Å; L925-K952 HydrophobicContact CD1-CG 3.98Å; Y944-K952 PolarHBondContact O-N 3.39Å; D946-K952 HydrophobicContact CB-CG 4.35Å; E950-K952 PolarHBondContact O-N 3.47Å | ||
| 953 | G | 80.6 | Confident | 79.9 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | trans | -62.7 | 162 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | T957 | G953-T957 VanDerWaalsContact C-OG1 3.27Å; G953-T957 VanDerWaalsContact CA-OG1 3.24Å; G953-T957 WeakPolarHBondContact CA-OG1 3.25Å | ||
| 954 | E | 83.7 | Confident | 79.5 | Confident | 112 Ų | 112 | 61.5 Ų | 61.5 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | trans | -57.1 | 154.9 | 170.2 | 60.6 | -178.2 | 174.6 | 0 | 0 | 111.1 | Y944 N956 T957 | Y944-E954 HydrophobicContact CD2-CB 4.13Å; Y944-E954 HydrophobicContact CE2-CB 3.97Å; E954-N956 PolarHBondContact O-N 2.9Å; E954-T957 HydrophobicContact CG-CG2 3.46Å; E954-T957 VanDerWaalsContact CG-CG2 3.46Å; E954-T957 PolarHBondContact N-OG1 3.37Å; E954-T957 PolarHBondContact O-N 3.04Å; E954-T957 PolarHBondContact O-OG1 2.93Å; E954-T957 WeakPolarHBondContact OE1-CG2 3.5Å | ||
| 955 | P | 83.8 | Confident | 78.9 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -48.5 | -35.6 | -171.2 | -28.1 | 31.5 | 0 | 0 | 0 | 115.2 | L925 Y944 W970 L1009 | L925-P955 HydrophobicContact CD2-CB 4.32Å; L925-P955 HydrophobicContact CD2-CG 3.7Å; Y944-P955 HydrophobicContact CD1-CG 4.43Å; Y944-P955 HydrophobicContact CE1-CG 3.87Å; P955-W970 VanDerWaalsContact CB-CD1 3.42Å; P955-W970 HydrophobicContact CB-CD2 4.06Å; P955-W970 HydrophobicContact CB-CG 3.82Å; P955-W970 PolarHBondContact O-NE1 2.99Å; P955-L1009 HydrophobicContact CG-CD1 4.01Å |
| 956 | N | 81.8 | Confident | 78.9 | Confident | 142 Ų | 142 | 65.4 Ų | 65.4 | 76% | 0.759 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -79.7 | -14.1 | -178.6 | -65.6 | -19.4 | 0 | 0 | 0 | 114.4 | E954 | E954-N956 PolarHBondContact O-N 2.9Š|
| 957 | T | 83.6 | Confident | 78.8 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 44% | 0.442 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -93.9 | -4.2 | 178.7 | 60.2 | 0 | 0 | 0 | 0 | 113.4 | G953 E954 E959 | G953-T957 VanDerWaalsContact C-OG1 3.27Å; G953-T957 VanDerWaalsContact CA-OG1 3.24Å; G953-T957 WeakPolarHBondContact CA-OG1 3.25Å; E954-T957 HydrophobicContact CG-CG2 3.46Å; E954-T957 VanDerWaalsContact CG-CG2 3.46Å; E954-T957 PolarHBondContact N-OG1 3.37Å; E954-T957 PolarHBondContact O-N 3.04Å; E954-T957 PolarHBondContact O-OG1 2.93Å; E954-T957 WeakPolarHBondContact OE1-CG2 3.5Å; T957-E959 PolarHBondContact O-N 3.34Å; T957-E959 VanDerWaalsContact O-N 3.14Å |
| 958 | V | 81.5 | Confident | 79 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | trans | -70.5 | 108.1 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | E923 L925 W966 W970 | E923-V958 HydrophobicContact CG-CG1 4.19Å; L925-V958 HydrophobicContact CD1-CG2 4.18Å; V958-W966 HydrophobicContact CG1-CH2 4.36Å; V958-W966 HydrophobicContact CG1-CZ2 4.37Å; V958-W970 HydrophobicContact CB-CZ2 4.2Å; V958-W970 HydrophobicContact CG1-CZ2 4.44Å; V958-W970 HydrophobicContact CG2-CZ2 3.93Å | ||
| 959 | E | 78.2 | Confident | 79.7 | Confident | 173 Ų | 173 | 70.9 Ų | 70.9 | 81% | 0.808 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 142.8 | -179.7 | -64.5 | -175.3 | 165.2 | 0 | 0 | 112.7 | T957 | T957-E959 PolarHBondContact O-N 3.34Å; T957-E959 VanDerWaalsContact O-N 3.14Å |
| 960 | L | 76.3 | Confident | 80.5 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 129.3 | 170.4 | -84.2 | 158.4 | 0 | 0 | 0 | 110.1 | W964 W966 R1013 | L960-W964 HydrophobicContact CD2-CB 3.96Å; L960-W966 HydrophobicContact CD1-CD2 4.42Å; L960-W966 HydrophobicContact CD1-CG 4.01Å; L960-W966 HydrophobicContact CD2-CD2 3.62Å; L960-W966 HydrophobicContact CD2-CE3 4.18Å; L960-W966 HydrophobicContact CD2-CG 3.94Å; L960-W966 HydrophobicContact CD2-CH2 4.26Å; L960-W966 HydrophobicContact CD2-CZ2 3.71Å; L960-W966 HydrophobicContact CD2-CZ3 4.49Å; L960-W966 HydrophobicContact CG-CD2 4.05Å; L960-W966 HydrophobicContact CG-CG 4.16Å; L960-W966 HydrophobicContact CG-CZ2 3.78Å; L960-R1013 HydrophobicContact CD2-CB 4.14Å |
| 961 | P | 72.5 | Confident | 81 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 148.9 | 166.3 | -24.3 | 36.4 | 0 | 0 | 0 | 111.2 | G963 W964 | P961-G963 PolarHBondContact O-N 3.01Å; P961-W964 HydrophobicContact CB-CG 4.48Å; P961-W964 WeakPolarHBondContact O-CB 3.43Å; P961-W964 PolarHBondContact O-N 3.23Å; P961-W964 VanDerWaalsContact O-N 3.1Å |
| 962 | S | 69.5 | Low | 81.4 | Confident | 99 Ų | 99 | 71.6 Ų | 71.6 | 69% | 0.692 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 136 | 178 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | W964 V1022 | S962-W964 VanDerWaalsContact C-N 3.34Å; S962-W964 PolarHBondContact O-N 2.96Å; S962-V1022 VanDerWaalsContact O-CG2 3.26Å; S962-V1022 WeakPolarHBondContact O-CG2 3.3Å |
| 963 | G | 65.9 | Low | 81.6 | Confident | 27 Ų | 27 | 68 Ų | 68 | 28% | 0.278 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -5.4 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | P961 G1016 | P961-G963 PolarHBondContact O-N 3.01Å; G963-G1016 PolarHBondContact O-N 3.49Å |
| 964 | W | 78.7 | Confident | 81.9 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 10% | 0.095 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 151.7 | -179.7 | -67.4 | 79.3 | 0 | 0 | 0 | 113.1 | K918 T919 F921 L960 P961 S962 R1013 L1015 | K918-W964 VanDerWaalsContact O-CH2 3.25Å; K918-W964 WeakPolarHBondContact O-CH2 3.19Å; K918-W964 WeakPolarHBondContact O-CZ2 3.49Å; T919-W964 WeakPolarHBondContact O-CZ3 3.42Å; F921-W964 HydrophobicContact CB-CH2 3.99Å; F921-W964 HydrophobicContact CB-CZ3 3.96Å; L960-W964 HydrophobicContact CD2-CB 3.96Å; P961-W964 HydrophobicContact CB-CG 4.48Å; P961-W964 WeakPolarHBondContact O-CB 3.43Å; P961-W964 PolarHBondContact O-N 3.23Å; P961-W964 VanDerWaalsContact O-N 3.1Å; S962-W964 VanDerWaalsContact C-N 3.34Å; S962-W964 PolarHBondContact O-N 2.96Å; W964-R1013 HydrophobicContact CD2-CG 4.33Å; W964-R1013 HydrophobicContact CE3-CB 3.89Å; W964-R1013 HydrophobicContact CE3-CG 3.59Å; W964-R1013 HydrophobicContact CZ3-CG 4.02Å; W964-R1013 WeakPolarHBondContact CZ3-O 3.33Å; W964-L1015 HydrophobicContact CD2-CB 4.3Å; W964-L1015 HydrophobicContact CD2-CD1 4.01Å; W964-L1015 HydrophobicContact CE3-CB 4.27Å; W964-L1015 VanDerWaalsContact CE3-N 3.35Å; W964-L1015 HydrophobicContact CG-CD1 4.16Å; W964-L1015 HydrophobicContact CH2-CB 4.33Å; W964-L1015 HydrophobicContact CZ2-CB 4.35Å; W964-L1015 HydrophobicContact CZ2-CD1 4.15Å; W964-L1015 HydrophobicContact CZ3-CB 4.28Å |
| 965 | T | 80.7 | Confident | 81.6 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 49% | 0.485 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.8 | 172.4 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | R1013 I1014 | T965-R1013 CarbonylContact O-C 2.97Å; T965-R1013 VanDerWaalsContact O-CA 3.27Å; T965-R1013 WeakPolarHBondContact O-CA 3.16Å; T965-R1013 WeakPolarHBondContact O-CB 3.46Å; T965-I1014 PolarHBondContact N-O 3.09Å; T965-I1014 PolarHBondContact O-N 2.85Å; T965-I1014 PolarHBondContact OG1-O 3.29Å |
| 966 | W | 85.9 | Confident | 81.5 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 25% | 0.254 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.3 | 174.2 | -66.2 | 121.1 | 0 | 0 | 0 | 110.6 | E923 V958 L960 R1011 R1013 | E923-W966 HydrophobicContact CB-CH2 3.98Å; E923-W966 HydrophobicContact CB-CZ3 3.84Å; E923-W966 HydrophobicContact CG-CH2 4.06Å; E923-W966 HydrophobicContact CG-CZ3 4.43Å; V958-W966 HydrophobicContact CG1-CH2 4.36Å; V958-W966 HydrophobicContact CG1-CZ2 4.37Å; L960-W966 HydrophobicContact CD1-CD2 4.42Å; L960-W966 HydrophobicContact CD1-CG 4.01Å; L960-W966 HydrophobicContact CD2-CD2 3.62Å; L960-W966 HydrophobicContact CD2-CE3 4.18Å; L960-W966 HydrophobicContact CD2-CG 3.94Å; L960-W966 HydrophobicContact CD2-CH2 4.26Å; L960-W966 HydrophobicContact CD2-CZ2 3.71Å; L960-W966 HydrophobicContact CD2-CZ3 4.49Å; L960-W966 HydrophobicContact CG-CD2 4.05Å; L960-W966 HydrophobicContact CG-CG 4.16Å; L960-W966 HydrophobicContact CG-CZ2 3.78Å; W966-R1011 HydrophobicContact CD2-CG 4.48Å; W966-R1011 VanDerWaalsContact CD2-CZ 3.4Å; W966-R1011 HydrophobicContact CE3-CG 3.79Å; W966-R1011 HydrophobicContact CZ3-CB 4.46Å; W966-R1011 HydrophobicContact CZ3-CG 4.2Å; W966-R1013 HydrophobicContact CE3-CB 3.73Å; W966-R1013 HydrophobicContact CZ3-CB 3.82Å; W966-R1013 HydrophobicContact CZ3-CG 4.1Å |
| 967 | A | 81.6 | Confident | 81.5 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 44% | 0.438 | 41% | 0.406 | S | S | . | . | trans | -90.2 | -31.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1012 I1014 | A967-S1012 WeakPolarHBondContact CB-O 3.46Å; A967-S1012 PolarHBondContact N-O 3.09Å; A967-I1014 HydrophobicContact CB-CD1 3.44Å; A967-I1014 VanDerWaalsContact CB-CD1 3.44Å; A967-I1014 HydrophobicContact CB-CG1 3.79Å | ||
| 968 | D | 83.2 | Confident | 81.8 | Confident | 47 Ų | 47 | 74 Ų | 74 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -150.1 | 177.2 | -179.6 | 61 | -16.3 | 0 | 0 | 0 | 112.1 | K971 R1011 S1012 | D968-K971 IonicContact OD2-NZ 2.77Å; D968-K971 PolarHBondContact OD2-NZ 3.44Å; D968-R1011 WeakPolarHBondContact O-CD 3.43Å; D968-R1011 WeakPolarHBondContact O-CG 3.38Å; D968-S1012 WeakPolarHBondContact OD1-CA 3.28Å; D968-S1012 VanDerWaalsContact OD1-CB 3.25Å; D968-S1012 WeakPolarHBondContact OD1-CB 3.34Å; D968-S1012 PolarHBondContact OD1-N 2.96Å |
| 969 | D | 88.4 | Confident | 82.2 | Confident | 129 Ų | 129 | 74.5 Ų | 74.5 | 69% | 0.69 | 40% | 0.395 | S | S | * | . | trans | -87.4 | 164.3 | 174 | -69.2 | -41.9 | 0 | 0 | 0 | 111.9 | K971 | D969-K971 PolarHBondContact O-N 3.46Š| ||
| 970 | W | 89.5 | Confident | 82.7 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 15% | 0.152 | 40% | 0.398 | C | S | . | . | trans | -62.1 | 129 | 176.7 | -72 | 99.6 | 0 | 0 | 0 | 112.2 | E923 L925 P955 V958 L1009 I1010 R1011 | E923-W970 HydrophobicContact CB-CH2 4.18Å; E923-W970 HydrophobicContact CG-CH2 4Å; L925-W970 HydrophobicContact CB-CE3 4.4Å; L925-W970 HydrophobicContact CB-CH2 3.67Å; L925-W970 HydrophobicContact CB-CZ2 4.5Å; L925-W970 HydrophobicContact CB-CZ3 3.61Å; P955-W970 VanDerWaalsContact CB-CD1 3.42Å; P955-W970 HydrophobicContact CB-CD2 4.06Å; P955-W970 HydrophobicContact CB-CG 3.82Å; P955-W970 PolarHBondContact O-NE1 2.99Å; V958-W970 HydrophobicContact CB-CZ2 4.2Å; V958-W970 HydrophobicContact CG1-CZ2 4.44Å; V958-W970 HydrophobicContact CG2-CZ2 3.93Å; W970-L1009 HydrophobicContact CE3-CB 3.68Å; W970-L1009 HydrophobicContact CZ3-CB 4.18Å; W970-L1009 WeakPolarHBondContact CZ3-O 3.22Å; W970-I1010 WeakPolarHBondContact CA-O 3.4Å; W970-R1011 HydrophobicContact CD2-CB 3.65Å; W970-R1011 HydrophobicContact CE3-CB 3.75Å; W970-R1011 HydrophobicContact CG-CB 4.04Å; W970-R1011 HydrophobicContact CH2-CB 4.48Å; W970-R1011 HydrophobicContact CZ2-CB 4.41Å; W970-R1011 HydrophobicContact CZ3-CB 4.16Å | ||
| 971 | K | 90.5 | Very high | 83.4 | Confident | 112 Ų | 112 | 76.5 Ų | 76.5 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 155 | 178.2 | -64.8 | 165.3 | -167.5 | 153.2 | 0 | 110.7 | D968 D969 L1009 I1010 | D968-K971 IonicContact OD2-NZ 2.77Å; D968-K971 PolarHBondContact OD2-NZ 3.44Å; D969-K971 PolarHBondContact O-N 3.46Å; K971-L1009 CarbonylContact O-C 3.49Å; K971-L1009 VanDerWaalsContact O-CA 3.27Å; K971-L1009 WeakPolarHBondContact O-CA 3.07Å; K971-I1010 PolarHBondContact N-O 2.83Å; K971-I1010 PolarHBondContact O-N 3.29Å |
| 972 | I | 90.2 | Very high | 84.1 | Confident | 44 Ų | 44 | 74.4 Ų | 74.4 | 23% | 0.226 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 131.5 | 172.4 | -56.2 | 176.7 | 0 | 0 | 0 | 108.6 | Y974 R1007 L1009 | I972-Y974 HydrophobicContact CB-CD2 4.35Å; I972-Y974 HydrophobicContact CB-CE2 3.74Å; I972-Y974 HydrophobicContact CG2-CD1 4.49Å; I972-Y974 HydrophobicContact CG2-CD2 4.28Å; I972-Y974 HydrophobicContact CG2-CE1 4.09Å; I972-Y974 HydrophobicContact CG2-CE2 3.86Å; I972-Y974 WeakPolarHBondContact O-CD2 3.39Å; I972-Y974 PolarHBondContact O-N 2.97Å; I972-R1007 HydrophobicContact CG1-CG 4.47Å; I972-R1007 HydrophobicContact CG2-CG 3.98Å; I972-L1009 HydrophobicContact CG1-CD2 3.92Å |
| 973 | D | 86.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.064 | 36% | 0.36 | C | S | . | . | trans | -85.6 | 106.6 | 175.3 | 179.1 | 23.8 | 0 | 0 | 0 | 111.2 | N975 R976 R1008 I1010 | D973-N975 WeakPolarHBondContact OD1-CB 3.3Å; D973-N975 PolarHBondContact OD1-N 3.23Å; D973-R976 VanDerWaalsContact OD2-CD 3.31Å; D973-R976 WeakPolarHBondContact OD2-CD 3.37Å; D973-R1008 HydrophobicContact CB-CB 4.29Å; D973-R1008 HydrophobicContact CB-CG 4.32Å; D973-R1008 PolarHBondContact N-O 2.79Å; D973-R1008 IonicContact OD2-CZ 3.33Å; D973-R1008 IonicContact OD2-NH1 3.82Å; D973-R1008 PolarHBondContact OD2-NH1 2.78Å; D973-I1010 HydrophobicContact CB-CD1 3.94Å; D973-I1010 HydrophobicContact CB-CG1 4.08Å; D973-I1010 HydrophobicContact CB-CG2 4.09Å | ||
| 974 | Y | 87.2 | Confident | 86.6 | Confident | 129 Ų | 129 | 69.1 Ų | 69.1 | 51% | 0.506 | 35% | 0.35 | S | S | . | . | trans | -93.4 | -2 | 175.9 | -65.2 | -79.5 | 0 | 0 | 0 | 113.4 | I972 R976 | I972-Y974 HydrophobicContact CB-CD2 4.35Å; I972-Y974 HydrophobicContact CB-CE2 3.74Å; I972-Y974 HydrophobicContact CG2-CD1 4.49Å; I972-Y974 HydrophobicContact CG2-CD2 4.28Å; I972-Y974 HydrophobicContact CG2-CE1 4.09Å; I972-Y974 HydrophobicContact CG2-CE2 3.86Å; I972-Y974 WeakPolarHBondContact O-CD2 3.39Å; I972-Y974 PolarHBondContact O-N 2.97Å; Y974-R976 PolarHBondContact O-N 3.16Å | ||
| 975 | N | 79 | Confident | 87.3 | Confident | 156 Ų | 156 | 68.1 Ų | 68.1 | 83% | 0.834 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -82.5 | 27.4 | -177.4 | -71.2 | -25.4 | 0 | 0 | 0 | 112.8 | D973 | D973-N975 WeakPolarHBondContact OD1-CB 3.3Å; D973-N975 PolarHBondContact OD1-N 3.23Å |
| 976 | R | 80 | Confident | 87.7 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 37% | 0.366 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -143.3 | 162.1 | -178.3 | -60.7 | -171.6 | 67.9 | -109.2 | -8.6 | 109.8 | D973 Y974 C978 E984 | D973-R976 VanDerWaalsContact OD2-CD 3.31Å; D973-R976 WeakPolarHBondContact OD2-CD 3.37Å; Y974-R976 PolarHBondContact O-N 3.16Å; R976-C978 PolarHBondContact O-N 3.09Å; R976-C978 PolarHBondContact O-SG 3.26Å; R976-E984 IonicContact CZ-OE1 3.71Å; R976-E984 IonicContact NH1-OE1 2.85Å; R976-E984 PolarHBondContact NH1-OE1 3.4Å; R976-E984 IonicContact NH1-OE2 3.56Å; R976-E984 IonicContact NH2-OE1 2.67Å |
| 977 | P | 83.4 | Confident | 87.7 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -65.3 | 96.1 | 177.4 | -20.7 | 33.6 | 0 | 0 | 0 | 112 | A996 | P977-A996 HydrophobicContact CB-CB 4.04Å; P977-A996 WeakPolarHBondContact O-CB 3.5Å |
| 978 | C | 89.1 | Confident | 87.6 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | trans | -136 | 170.6 | 175.5 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | R976 F983 E984 | R976-C978 PolarHBondContact O-N 3.09Å; R976-C978 PolarHBondContact O-SG 3.26Å; C978-F983 WeakPolarHBondContact CA-O 3.36Å; C978-F983 WeakPolarHBondContact CB-O 3.34Å; C978-E984 HydrophobicContact CB-CG 4.43Å | ||
| 979 | D | 90.9 | Very high | 87.1 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | trans | -77.2 | -177.3 | 170.4 | 69.4 | 9.2 | 0 | 0 | 0 | 112.7 | D981 G982 F983 Y985 | D979-D981 PolarHBondContact O-N 3.37Å; D979-D981 VanDerWaalsContact OD1-C 3.29Å; D979-D981 WeakPolarHBondContact OD1-CA 3.3Å; D979-D981 PolarHBondContact OD1-N 2.86Å; D979-G982 PolarHBondContact O-N 3.05Å; D979-G982 PolarHBondContact OD1-N 3.41Å; D979-F983 PolarHBondContact N-O 3.17Å; D979-F983 PolarHBondContact OD1-N 3.12Å; D979-Y985 HydrophobicContact CB-CE2 4.28Å; D979-Y985 WeakPolarHBondContact OD2-CE2 3.31Å; D979-Y985 VanDerWaalsContact OD2-CZ 3.29Å; D979-Y985 PolarHBondContact OD2-OH 2.86Å | ||
| 980 | E | 88.5 | Confident | 86.1 | Confident | 187 Ų | 187 | 63.9 Ų | 63.9 | 87% | 0.874 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.5 | 179.2 | -62.3 | -172.5 | 170.5 | 0 | 0 | 113.1 | ||
| 981 | D | 90.1 | Very high | 85 | Confident | 93 Ų | 93 | 66.8 Ų | 66.8 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.1 | 177.3 | -75.7 | -40.1 | 0 | 0 | 0 | 112.7 | D979 F983 R1007 | D979-D981 PolarHBondContact O-N 3.37Å; D979-D981 VanDerWaalsContact OD1-C 3.29Å; D979-D981 WeakPolarHBondContact OD1-CA 3.3Å; D979-D981 PolarHBondContact OD1-N 2.86Å; D981-F983 VanDerWaalsContact C-N 3.35Å; D981-F983 HydrophobicContact CB-CD2 3.84Å; D981-F983 HydrophobicContact CB-CE2 4.34Å; D981-R1007 PolarHBondContact O-NE 3.16Å; D981-R1007 PolarHBondContact O-NH2 3.06Å |
| 982 | G | 88.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 77.4 | 13.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | D979 R1007 | D979-G982 PolarHBondContact O-N 3.05Å; D979-G982 PolarHBondContact OD1-N 3.41Å; G982-R1007 WeakPolarHBondContact O-CA 3.41Å |
| 983 | F | 94.4 | Very high | 83.1 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 144.3 | 177.9 | -75.9 | -77 | 0 | 0 | 0 | 112.7 | Y927 E929 C978 D979 D981 Y985 R1005 R1006 R1007 | Y927-F983 HydrophobicContact CD1-CE1 4.16Å; Y927-F983 HydrophobicContact CD1-CZ 4.2Å; Y927-F983 HydrophobicContact CE1-CE1 4.37Å; Y927-F983 HydrophobicContact CE1-CZ 4.12Å; E929-F983 HydrophobicContact CG-CE1 4.37Å; E929-F983 HydrophobicContact CG-CZ 4.49Å; C978-F983 WeakPolarHBondContact CA-O 3.36Å; C978-F983 WeakPolarHBondContact CB-O 3.34Å; D979-F983 PolarHBondContact N-O 3.17Å; D979-F983 PolarHBondContact OD1-N 3.12Å; D981-F983 VanDerWaalsContact C-N 3.35Å; D981-F983 HydrophobicContact CB-CD2 3.84Å; D981-F983 HydrophobicContact CB-CE2 4.34Å; F983-Y985 HydrophobicContact CB-CE2 4.21Å; F983-R1005 HydrophobicContact CB-CB 4.38Å; F983-R1005 HydrophobicContact CD1-CB 3.98Å; F983-R1005 HydrophobicContact CD1-CG 3.5Å; F983-R1005 HydrophobicContact CE1-CG 3.83Å; F983-R1005 HydrophobicContact CG-CB 4.47Å; F983-R1005 HydrophobicContact CG-CG 4.11Å; F983-R1006 CarbonylContact C-O 3.42Å; F983-R1006 WeakPolarHBondContact CA-O 3.35Å; F983-R1007 HydrophobicContact CD1-CB 3.8Å; F983-R1007 HydrophobicContact CE1-CB 3.79Å; F983-R1007 HydrophobicContact CG-CB 4.35Å; F983-R1007 HydrophobicContact CZ-CB 4.36Å |
| 984 | E | 92.4 | Very high | 83.1 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.056 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 146.2 | 166 | -37.2 | 177.7 | 151.5 | 0 | 0 | 108.8 | R976 C978 Y994 R1005 R1006 | R976-E984 IonicContact CZ-OE1 3.71Å; R976-E984 IonicContact NH1-OE1 2.85Å; R976-E984 PolarHBondContact NH1-OE1 3.4Å; R976-E984 IonicContact NH1-OE2 3.56Å; R976-E984 IonicContact NH2-OE1 2.67Å; C978-E984 HydrophobicContact CB-CG 4.43Å; E984-Y994 HydrophobicContact CB-CD1 3.97Å; E984-Y994 HydrophobicContact CB-CG 4.28Å; E984-R1005 CarbonylContact O-C 3.44Å; E984-R1005 WeakPolarHBondContact O-CA 3.22Å; E984-R1005 WeakPolarHBondContact O-CB 3.41Å; E984-R1006 HydrophobicContact CB-CG 4.48Å; E984-R1006 PolarHBondContact N-O 2.69Å; E984-R1006 PolarHBondContact O-N 3.29Å; E984-R1006 IonicContact OE2-CZ 3.33Å; E984-R1006 IonicContact OE2-NE 3.32Å; E984-R1006 PolarHBondContact OE2-NE 2.94Å; E984-R1006 IonicContact OE2-NH2 3.26Å; E984-R1006 PolarHBondContact OE2-NH2 3.08Å; E984-R1006 VanDerWaalsContact OE2-NH2 3.15Å |
| 985 | Y | 92.8 | Very high | 83.1 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.1 | -170.2 | -61.1 | -92.1 | 0 | 0 | 0 | 112.6 | W937 D979 F983 Y994 V995 E998 H1002 R1005 | W937-Y985 HydrophobicContact CH2-CD1 4.06Å; W937-Y985 HydrophobicContact CH2-CE1 4.36Å; W937-Y985 AromaticContact CZ2-CD1 3.63Å; W937-Y985 HydrophobicContact CZ2-CD1 3.63Å; W937-Y985 AromaticContact CZ2-CE1 3.57Å; W937-Y985 HydrophobicContact CZ2-CE1 3.57Å; D979-Y985 HydrophobicContact CB-CE2 4.28Å; D979-Y985 WeakPolarHBondContact OD2-CE2 3.31Å; D979-Y985 VanDerWaalsContact OD2-CZ 3.29Å; D979-Y985 PolarHBondContact OD2-OH 2.86Å; F983-Y985 HydrophobicContact CB-CE2 4.21Å; Y985-Y994 CarbonylContact O-C 3.6Å; Y985-Y994 VanDerWaalsContact O-CA 3.24Å; Y985-Y994 WeakPolarHBondContact O-CA 3.36Å; Y985-V995 PolarHBondContact N-O 3.49Å; Y985-V995 PolarHBondContact O-N 3.41Å; Y985-E998 HydrophobicContact CD1-CB 3.98Å; Y985-E998 HydrophobicContact CD1-CG 3.75Å; Y985-E998 HydrophobicContact CD2-CB 4.2Å; Y985-E998 HydrophobicContact CE1-CB 3.68Å; Y985-E998 HydrophobicContact CE1-CG 3.51Å; Y985-E998 WeakPolarHBondContact CE1-OE2 3.5Å; Y985-E998 HydrophobicContact CE2-CB 3.95Å; Y985-E998 HydrophobicContact CG-CB 4.23Å; Y985-E998 HydrophobicContact CG-CG 4.42Å; Y985-H1002 WeakPolarHBondContact CB-ND1 3.43Å; Y985-H1002 HydrophobicContact CD1-CB 4.44Å; Y985-R1005 HydrophobicContact CD1-CB 3.74Å; Y985-R1005 HydrophobicContact CE1-CB 3.9Å; Y985-R1005 HydrophobicContact CE1-CG 4.46Å; Y985-R1005 HydrophobicContact CG-CB 4.38Å |
| 986 | T | 89.7 | Confident | 83.6 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 159.7 | 173 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | G993 Y994 H1002 M1003 F1004 | T986-G993 WeakPolarHBondContact CB-O 3.31Å; T986-G993 PolarHBondContact OG1-O 3.09Å; T986-Y994 HydrophobicContact CG2-CD1 3.86Å; T986-Y994 HydrophobicContact CG2-CD2 4.49Å; T986-Y994 HydrophobicContact CG2-CE1 3.35Å; T986-Y994 HydrophobicContact CG2-CE2 4.05Å; T986-Y994 HydrophobicContact CG2-CG 4.41Å; T986-Y994 VanDerWaalsContact CG2-CZ 3.46Å; T986-H1002 WeakPolarHBondContact O-CA 3.46Å; T986-H1002 WeakPolarHBondContact O-CB 3.4Å; T986-M1003 PolarHBondContact O-N 2.87Å; T986-F1004 HydrophobicContact CG2-CB 3.73Å; T986-F1004 PolarHBondContact N-O 2.97Å; T986-F1004 PolarHBondContact O-N 3.04Å; T986-F1004 VanDerWaalsContact O-N 3.13Å; T986-F1004 VanDerWaalsContact O-O 3.07Å |
| 987 | V | 84.9 | Confident | 84 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 42% | 0.418 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -67.5 | -44.3 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | Y1001 M1003 | V987-Y1001 HydrophobicContact CG2-CD2 3.86Å; V987-Y1001 HydrophobicContact CG2-CE2 4.08Å; V987-M1003 WeakPolarHBondContact O-CB 3.44Å |
| 988 | E | 80.6 | Confident | 84.2 | Confident | 94 Ų | 94 | 54.1 Ų | 54.1 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | trans | -145.9 | 120.4 | -171.6 | -176.4 | 86.6 | -143.1 | 0 | 0 | 108.9 | S990 T991 | E988-S990 VanDerWaalsContact CG-OG 3.23Å; E988-S990 WeakPolarHBondContact CG-OG 3.44Å; E988-S990 PolarHBondContact O-N 3.01Å; E988-S990 VanDerWaalsContact O-N 3.1Å; E988-T991 HydrophobicContact CB-CG2 4.16Å; E988-T991 HydrophobicContact CG-CG2 4.3Å; E988-T991 PolarHBondContact O-N 3.09Å; E988-T991 PolarHBondContact O-OG1 3.14Å | ||
| 989 | A | 73 | Confident | 84.2 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -55.9 | -32.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T991 F1004 | A989-T991 VanDerWaalsContact C-N 3.29Å; A989-T991 PolarHBondContact O-N 3.03Å; A989-F1004 HydrophobicContact CB-CB 4.18Å; A989-F1004 HydrophobicContact CB-CD1 3.76Å; A989-F1004 HydrophobicContact CB-CD2 4.35Å; A989-F1004 HydrophobicContact CB-CE1 4.19Å; A989-F1004 HydrophobicContact CB-CG 3.84Å |
| 990 | S | 68 | Low | 83.9 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 56% | 0.559 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -72.1 | -16.5 | -179.7 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | E988 | E988-S990 VanDerWaalsContact CG-OG 3.23Å; E988-S990 WeakPolarHBondContact CG-OG 3.44Å; E988-S990 PolarHBondContact O-N 3.01Å; E988-S990 VanDerWaalsContact O-N 3.1Å |
| 991 | T | 65.6 | Low | 83.7 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -89.2 | -9.3 | -178 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | E988 A989 G993 | E988-T991 HydrophobicContact CB-CG2 4.16Å; E988-T991 HydrophobicContact CG-CG2 4.3Å; E988-T991 PolarHBondContact O-N 3.09Å; E988-T991 PolarHBondContact O-OG1 3.14Å; A989-T991 VanDerWaalsContact C-N 3.29Å; A989-T991 PolarHBondContact O-N 3.03Å; T991-G993 PolarHBondContact O-N 3.32Å |
| 992 | G | 64.5 | Low | 83.7 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | trans | 70.1 | -6.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117 | Y994 | G992-Y994 WeakPolarHBondContact O-CD2 3.45Å; G992-Y994 PolarHBondContact O-N 3.37Å | ||
| 993 | G | 75.4 | Confident | 83.8 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | trans | -82.9 | 92.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T986 T991 | T986-G993 WeakPolarHBondContact CB-O 3.31Å; T986-G993 PolarHBondContact OG1-O 3.09Å; T991-G993 PolarHBondContact O-N 3.32Å | ||
| 994 | Y | 87.1 | Confident | 83.8 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | trans | -101.6 | 140.3 | 178.3 | -71 | -96.6 | 0 | 0 | 0 | 112.3 | E984 Y985 T986 G992 R1006 | E984-Y994 HydrophobicContact CB-CD1 3.97Å; E984-Y994 HydrophobicContact CB-CG 4.28Å; Y985-Y994 CarbonylContact O-C 3.6Å; Y985-Y994 VanDerWaalsContact O-CA 3.24Å; Y985-Y994 WeakPolarHBondContact O-CA 3.36Å; T986-Y994 HydrophobicContact CG2-CD1 3.86Å; T986-Y994 HydrophobicContact CG2-CD2 4.49Å; T986-Y994 HydrophobicContact CG2-CE1 3.35Å; T986-Y994 HydrophobicContact CG2-CE2 4.05Å; T986-Y994 HydrophobicContact CG2-CG 4.41Å; T986-Y994 VanDerWaalsContact CG2-CZ 3.46Å; G992-Y994 WeakPolarHBondContact O-CD2 3.45Å; G992-Y994 PolarHBondContact O-N 3.37Å; Y994-R1006 HydrophobicContact CD1-CG 3.78Å; Y994-R1006 VanDerWaalsContact CD2-NH2 3.29Å; Y994-R1006 HydrophobicContact CE1-CB 4.09Å; Y994-R1006 VanDerWaalsContact CE1-CD 3.43Å; Y994-R1006 HydrophobicContact CE1-CG 3.46Å; Y994-R1006 VanDerWaalsContact CE1-CG 3.46Å | ||
| 995 | V | 88.4 | Confident | 83.8 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -130.3 | 152.9 | 178.5 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | Y985 A997 H1002 | Y985-V995 PolarHBondContact N-O 3.49Å; Y985-V995 PolarHBondContact O-N 3.41Å; V995-A997 VanDerWaalsContact C-N 3.34Å; V995-A997 PolarHBondContact O-N 3.11Å; V995-H1002 WeakPolarHBondContact CG2-CE1 3.31Å |
| 996 | A | 89.1 | Confident | 83.8 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -70.2 | -28 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P977 | P977-A996 HydrophobicContact CB-CB 4.04Å; P977-A996 WeakPolarHBondContact O-CB 3.5Å |
| 997 | A | 88.7 | Confident | 84 | Confident | 54 Ų | 54 | 65 Ų | 65 | 45% | 0.446 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -97 | 124.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112 | V995 H1002 | V995-A997 VanDerWaalsContact C-N 3.34Å; V995-A997 PolarHBondContact O-N 3.11Å; A997-H1002 PolarHBondContact O-CE1 2.82Å |
| 998 | E | 87.5 | Confident | 84.4 | Confident | 85 Ų | 85 | 64 Ų | 64 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | trans | -61 | 137.1 | 173.2 | -167.6 | -177.3 | 129.7 | 0 | 0 | 111.4 | R931 W937 Y985 | R931-E998 IonicContact CZ-OE1 2.87Å; R931-E998 IonicContact NH1-OE1 3.58Å; R931-E998 PolarHBondContact NH1-OE1 3.38Å; R931-E998 IonicContact NH1-OE2 2.72Å; R931-E998 IonicContact NH2-OE1 3.01Å; R931-E998 PolarHBondContact NH2-OE1 3.31Å; W937-E998 PolarHBondContact NE1-OE2 3.19Å; Y985-E998 HydrophobicContact CD1-CB 3.98Å; Y985-E998 HydrophobicContact CD1-CG 3.75Å; Y985-E998 HydrophobicContact CD2-CB 4.2Å; Y985-E998 HydrophobicContact CE1-CB 3.68Å; Y985-E998 HydrophobicContact CE1-CG 3.51Å; Y985-E998 WeakPolarHBondContact CE1-OE2 3.5Å; Y985-E998 HydrophobicContact CE2-CB 3.95Å; Y985-E998 HydrophobicContact CG-CB 4.23Å; Y985-E998 HydrophobicContact CG-CG 4.42Å | ||
| 999 | K | 88.9 | Confident | 85 | Confident | 101 Ų | 101 | 60.7 Ų | 60.7 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | trans | -129 | 151.1 | 171.6 | -58.2 | -68.2 | 179.9 | -173.2 | 0 | 108.9 | R931 Y1001 H1002 | R931-K999 PolarHBondContact NH2-O 2.94Å; K999-Y1001 HydrophobicContact CB-CD1 4.14Å; K999-Y1001 HydrophobicContact CB-CD2 4.22Å; K999-Y1001 HydrophobicContact CB-CE1 3.74Å; K999-Y1001 HydrophobicContact CB-CE2 3.82Å; K999-Y1001 HydrophobicContact CB-CG 4.38Å; K999-Y1001 HydrophobicContact CG-CE1 4.24Å; K999-Y1001 HydrophobicContact CG-CE2 4.28Å; K999-Y1001 PolarHBondContact O-N 3.12Å; K999-Y1001 VanDerWaalsContact O-N 3.1Å; K999-H1002 PolarHBondContact N-ND1 3.08Å; K999-H1002 VanDerWaalsContact N-ND1 3.11Å; K999-H1002 WeakPolarHBondContact O-CB 3.39Å; K999-H1002 PolarHBondContact O-N 3.46Å | ||
| 1000 | L | 83.5 | Confident | 85.9 | Confident | 142 Ų | 142 | 60.8 Ų | 60.8 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.8 | -177.1 | -77.5 | 165.5 | 0 | 0 | 0 | 113.8 | ||
| 1001 | Y | 85.3 | Confident | 87 | Confident | 137 Ų | 137 | 57.8 Ų | 57.8 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -3.9 | 179 | 54.9 | -106.4 | 0 | 0 | 0 | 113.9 | V987 K999 M1003 | V987-Y1001 HydrophobicContact CG2-CD2 3.86Å; V987-Y1001 HydrophobicContact CG2-CE2 4.08Å; K999-Y1001 HydrophobicContact CB-CD1 4.14Å; K999-Y1001 HydrophobicContact CB-CD2 4.22Å; K999-Y1001 HydrophobicContact CB-CE1 3.74Å; K999-Y1001 HydrophobicContact CB-CE2 3.82Å; K999-Y1001 HydrophobicContact CB-CG 4.38Å; K999-Y1001 HydrophobicContact CG-CE1 4.24Å; K999-Y1001 HydrophobicContact CG-CE2 4.28Å; K999-Y1001 PolarHBondContact O-N 3.12Å; K999-Y1001 VanDerWaalsContact O-N 3.1Å; Y1001-M1003 PolarHBondContact O-N 3.39Å |
| 1002 | H | 90.3 | Very high | 87.9 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | trans | -73.6 | 120.9 | 173.2 | -66.2 | 153.7 | 0 | 0 | 0 | 109.7 | R931 Y985 T986 V995 A997 K999 | R931-H1002 PolarHBondContact NE-O 2.98Å; R931-H1002 PolarHBondContact NH2-O 3.37Å; Y985-H1002 WeakPolarHBondContact CB-ND1 3.43Å; Y985-H1002 HydrophobicContact CD1-CB 4.44Å; T986-H1002 WeakPolarHBondContact O-CA 3.46Å; T986-H1002 WeakPolarHBondContact O-CB 3.4Å; V995-H1002 WeakPolarHBondContact CG2-CE1 3.31Å; A997-H1002 PolarHBondContact O-CE1 2.82Å; K999-H1002 PolarHBondContact N-ND1 3.08Å; K999-H1002 VanDerWaalsContact N-ND1 3.11Å; K999-H1002 WeakPolarHBondContact O-CB 3.39Å; K999-H1002 PolarHBondContact O-N 3.46Å | ||
| 1003 | M | 90.8 | Very high | 88.8 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 27% | 0.271 | 27% | 0.272 | S | S | . | . | trans | -104 | -13.7 | -179 | -66.6 | 178.3 | 54.7 | 0 | 0 | 112.2 | F930 R931 W937 T986 V987 Y1001 | F930-M1003 CarbonylContact C-O 3.49Å; F930-M1003 VanDerWaalsContact CA-O 3.26Å; F930-M1003 WeakPolarHBondContact CA-O 3.47Å; F930-M1003 HydrophobicContact CE2-CE 4.02Å; R931-M1003 PolarHBondContact N-O 2.78Å; R931-M1003 VanDerWaalsContact O-CA 3.32Å; R931-M1003 WeakPolarHBondContact O-CA 3.37Å; R931-M1003 WeakPolarHBondContact O-CB 3.39Å; R931-M1003 WeakPolarHBondContact O-CG 3.42Å; W937-M1003 WeakPolarHBondContact CZ3-O 3.46Å; T986-M1003 PolarHBondContact O-N 2.87Å; V987-M1003 WeakPolarHBondContact O-CB 3.44Å; Y1001-M1003 PolarHBondContact O-N 3.39Å | ||
| 1004 | F | 92.6 | Very high | 88.8 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.4 | 178 | -70.7 | -92.1 | 0 | 0 | 0 | 110.7 | E929 F930 W937 T986 A989 | E929-F1004 WeakPolarHBondContact O-CA 3.44Å; F930-F1004 HydrophobicContact CB-CD1 3.99Å; F930-F1004 HydrophobicContact CB-CE1 3.8Å; F930-F1004 HydrophobicContact CB-CZ 4.43Å; F930-F1004 HydrophobicContact CD2-CE1 4Å; F930-F1004 HydrophobicContact CD2-CE2 4.09Å; F930-F1004 AromaticContact CD2-CZ 3.75Å; F930-F1004 HydrophobicContact CD2-CZ 3.75Å; F930-F1004 HydrophobicContact CG-CE1 4.26Å; F930-F1004 HydrophobicContact CG-CZ 4.42Å; W937-F1004 VanDerWaalsContact CH2-C 3.47Å; W937-F1004 VanDerWaalsContact CZ3-C 3.46Å; T986-F1004 HydrophobicContact CG2-CB 3.73Å; T986-F1004 PolarHBondContact N-O 2.97Å; T986-F1004 PolarHBondContact O-N 3.04Å; T986-F1004 VanDerWaalsContact O-N 3.13Å; T986-F1004 VanDerWaalsContact O-O 3.07Å; A989-F1004 HydrophobicContact CB-CB 4.18Å; A989-F1004 HydrophobicContact CB-CD1 3.76Å; A989-F1004 HydrophobicContact CB-CD2 4.35Å; A989-F1004 HydrophobicContact CB-CE1 4.19Å; A989-F1004 HydrophobicContact CB-CG 3.84Å |
| 1005 | R | 93.3 | Very high | 87.7 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 13% | 0.125 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152.8 | 167 | 69.5 | 179.4 | -177.2 | 173.1 | 2.3 | 110.3 | N928 E929 W937 F983 E984 Y985 | N928-R1005 WeakPolarHBondContact CA-O 3.3Å; E929-R1005 HydrophobicContact CB-CG 3.86Å; E929-R1005 PolarHBondContact N-O 2.92Å; E929-R1005 PolarHBondContact O-N 3.03Å; E929-R1005 IonicContact OE2-CZ 2.69Å; E929-R1005 IonicContact OE2-NE 2.82Å; E929-R1005 PolarHBondContact OE2-NE 3.48Å; E929-R1005 IonicContact OE2-NH2 2.8Å; E929-R1005 PolarHBondContact OE2-NH2 2.87Å; W937-R1005 HydrophobicContact CD2-CG 3.92Å; W937-R1005 HydrophobicContact CE3-CB 4.42Å; W937-R1005 HydrophobicContact CE3-CG 3.66Å; W937-R1005 HydrophobicContact CH2-CB 3.8Å; W937-R1005 HydrophobicContact CH2-CG 3.93Å; W937-R1005 HydrophobicContact CZ2-CB 4.17Å; W937-R1005 HydrophobicContact CZ2-CG 4.15Å; W937-R1005 HydrophobicContact CZ3-CB 3.93Å; W937-R1005 HydrophobicContact CZ3-CG 3.67Å; F983-R1005 HydrophobicContact CB-CB 4.38Å; F983-R1005 HydrophobicContact CD1-CB 3.98Å; F983-R1005 HydrophobicContact CD1-CG 3.5Å; F983-R1005 HydrophobicContact CE1-CG 3.83Å; F983-R1005 HydrophobicContact CG-CB 4.47Å; F983-R1005 HydrophobicContact CG-CG 4.11Å; E984-R1005 CarbonylContact O-C 3.44Å; E984-R1005 WeakPolarHBondContact O-CA 3.22Å; E984-R1005 WeakPolarHBondContact O-CB 3.41Å; Y985-R1005 HydrophobicContact CD1-CB 3.74Å; Y985-R1005 HydrophobicContact CE1-CB 3.9Å; Y985-R1005 HydrophobicContact CE1-CG 4.46Å; Y985-R1005 HydrophobicContact CG-CB 4.38Å |
| 1006 | R | 93.9 | Very high | 86.3 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.4 | 176.4 | 71.5 | -177.9 | -179.8 | -179 | 0.1 | 111.3 | F926 Y927 N928 A947 F983 E984 Y994 | F926-R1006 HydrophobicContact CD1-CB 4.33Å; F926-R1006 VanDerWaalsContact CD1-CD 3.48Å; F926-R1006 HydrophobicContact CD1-CG 3.85Å; F926-R1006 HydrophobicContact CE1-CG 4.47Å; Y927-R1006 CarbonylContact O-C 3.45Å; Y927-R1006 WeakPolarHBondContact O-CA 3.22Å; N928-R1006 WeakPolarHBondContact OD1-CB 3.46Å; A947-R1006 PolarHBondContact O-NH1 2.77Å; F983-R1006 CarbonylContact C-O 3.42Å; F983-R1006 WeakPolarHBondContact CA-O 3.35Å; E984-R1006 HydrophobicContact CB-CG 4.48Å; E984-R1006 PolarHBondContact N-O 2.69Å; E984-R1006 PolarHBondContact O-N 3.29Å; E984-R1006 IonicContact OE2-CZ 3.33Å; E984-R1006 IonicContact OE2-NE 3.32Å; E984-R1006 PolarHBondContact OE2-NE 2.94Å; E984-R1006 IonicContact OE2-NH2 3.26Å; E984-R1006 PolarHBondContact OE2-NH2 3.08Å; E984-R1006 VanDerWaalsContact OE2-NH2 3.15Å; Y994-R1006 HydrophobicContact CD1-CG 3.78Å; Y994-R1006 VanDerWaalsContact CD2-NH2 3.29Å; Y994-R1006 HydrophobicContact CE1-CB 4.09Å; Y994-R1006 VanDerWaalsContact CE1-CD 3.43Å; Y994-R1006 HydrophobicContact CE1-CG 3.46Å; Y994-R1006 VanDerWaalsContact CE1-CG 3.46Å |
| 1007 | R | 93.1 | Very high | 84.5 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 21% | 0.208 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.5 | 176.8 | 174.7 | -171.9 | -70.8 | 178.3 | -5.3 | 109.2 | F926 Y927 I972 D981 G982 F983 | F926-R1007 CarbonylContact C-O 3.52Å; F926-R1007 VanDerWaalsContact CA-O 3.3Å; F926-R1007 WeakPolarHBondContact CA-O 3.31Å; Y927-R1007 PolarHBondContact N-O 3.07Å; Y927-R1007 PolarHBondContact O-N 3.36Å; I972-R1007 HydrophobicContact CG1-CG 4.47Å; I972-R1007 HydrophobicContact CG2-CG 3.98Å; D981-R1007 PolarHBondContact O-NE 3.16Å; D981-R1007 PolarHBondContact O-NH2 3.06Å; G982-R1007 WeakPolarHBondContact O-CA 3.41Å; F983-R1007 HydrophobicContact CD1-CB 3.8Å; F983-R1007 HydrophobicContact CE1-CB 3.79Å; F983-R1007 HydrophobicContact CG-CB 4.35Å; F983-R1007 HydrophobicContact CZ-CB 4.36Å |
| 1008 | R | 93.5 | Very high | 82.2 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.4 | 177.8 | -168.4 | 178 | -176.7 | -125.5 | 0.8 | 110.2 | E924 L925 F926 D973 I1010 | E924-R1008 IonicContact OE2-CZ 3.91Å; E924-R1008 VanDerWaalsContact OE2-CZ 3.25Å; E924-R1008 IonicContact OE2-NE 3.43Å; E924-R1008 PolarHBondContact OE2-NE 2.69Å; E924-R1008 IonicContact OE2-NH2 2.92Å; E924-R1008 PolarHBondContact OE2-NH2 2.96Å; L925-R1008 CarbonylContact O-C 3.57Å; L925-R1008 WeakPolarHBondContact O-CA 3.46Å; F926-R1008 HydrophobicContact CD1-CB 3.98Å; F926-R1008 HydrophobicContact CD1-CG 4.35Å; F926-R1008 HydrophobicContact CD2-CG 4.5Å; F926-R1008 HydrophobicContact CE1-CB 3.59Å; F926-R1008 HydrophobicContact CE1-CG 3.79Å; F926-R1008 HydrophobicContact CE2-CG 3.89Å; F926-R1008 HydrophobicContact CZ-CB 3.92Å; F926-R1008 HydrophobicContact CZ-CG 3.54Å; D973-R1008 HydrophobicContact CB-CB 4.29Å; D973-R1008 HydrophobicContact CB-CG 4.32Å; D973-R1008 PolarHBondContact N-O 2.79Å; D973-R1008 IonicContact OD2-CZ 3.33Å; D973-R1008 IonicContact OD2-NH1 3.82Å; D973-R1008 PolarHBondContact OD2-NH1 2.78Å; R1008-I1010 HydrophobicContact CG-CG2 4.21Å |
| 1009 | L | 93 | Very high | 79.8 | Confident | 24 Ų | 24 | 61 Ų | 61 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.1 | 169.4 | -58.3 | 172.4 | 0 | 0 | 0 | 107.9 | E924 L925 Y944 P955 W970 K971 I972 | E924-L1009 WeakPolarHBondContact CA-O 3.33Å; L925-L1009 HydrophobicContact CB-CB 4.35Å; L925-L1009 HydrophobicContact CD2-CD1 4.44Å; L925-L1009 PolarHBondContact N-O 3.22Å; L925-L1009 PolarHBondContact O-N 3.16Å; Y944-L1009 HydrophobicContact CE1-CD1 4.2Å; P955-L1009 HydrophobicContact CG-CD1 4.01Å; W970-L1009 HydrophobicContact CE3-CB 3.68Å; W970-L1009 HydrophobicContact CZ3-CB 4.18Å; W970-L1009 WeakPolarHBondContact CZ3-O 3.22Å; K971-L1009 CarbonylContact O-C 3.49Å; K971-L1009 VanDerWaalsContact O-CA 3.27Å; K971-L1009 WeakPolarHBondContact O-CA 3.07Å; I972-L1009 HydrophobicContact CG1-CD2 3.92Å |
| 1010 | I | 90.8 | Very high | 77.3 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 21% | 0.205 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.1 | 177.1 | 57.2 | 171.6 | 0 | 0 | 0 | 110.7 | V922 E923 E924 W970 K971 D973 R1008 | V922-I1010 HydrophobicContact CG1-CB 3.72Å; V922-I1010 HydrophobicContact CG1-CG2 3.95Å; E923-I1010 CarbonylContact O-C 3.57Å; E923-I1010 VanDerWaalsContact O-CA 3.29Å; E923-I1010 WeakPolarHBondContact O-CA 3.42Å; E924-I1010 HydrophobicContact CB-CG2 4.41Å; W970-I1010 WeakPolarHBondContact CA-O 3.4Å; K971-I1010 PolarHBondContact N-O 2.83Å; K971-I1010 PolarHBondContact O-N 3.29Å; D973-I1010 HydrophobicContact CB-CD1 3.94Å; D973-I1010 HydrophobicContact CB-CG1 4.08Å; D973-I1010 HydrophobicContact CB-CG2 4.09Å; R1008-I1010 HydrophobicContact CG-CG2 4.21Å |
| 1011 | R | 91 | Very high | 75.2 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 135 | 173.6 | -173.1 | 173 | 63.8 | -179.6 | -7.4 | 109.6 | E923 W966 D968 W970 | E923-R1011 WeakPolarHBondContact CA-O 3.22Å; E923-R1011 WeakPolarHBondContact CB-O 3.29Å; E923-R1011 PolarHBondContact N-O 2.66Å; E923-R1011 PolarHBondContact O-N 2.95Å; W966-R1011 HydrophobicContact CD2-CG 4.48Å; W966-R1011 VanDerWaalsContact CD2-CZ 3.4Å; W966-R1011 HydrophobicContact CE3-CG 3.79Å; W966-R1011 HydrophobicContact CZ3-CB 4.46Å; W966-R1011 HydrophobicContact CZ3-CG 4.2Å; D968-R1011 WeakPolarHBondContact O-CD 3.43Å; D968-R1011 WeakPolarHBondContact O-CG 3.38Å; W970-R1011 HydrophobicContact CD2-CB 3.65Å; W970-R1011 HydrophobicContact CE3-CB 3.75Å; W970-R1011 HydrophobicContact CG-CB 4.04Å; W970-R1011 HydrophobicContact CH2-CB 4.48Å; W970-R1011 HydrophobicContact CZ2-CB 4.41Å; W970-R1011 HydrophobicContact CZ3-CB 4.16Å |
| 1012 | S | 85.8 | Confident | 73.2 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 143.1 | -177.9 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | F921 A967 D968 | F921-S1012 CarbonylContact O-C 3.45Å; F921-S1012 WeakPolarHBondContact O-CA 3.43Å; A967-S1012 WeakPolarHBondContact CB-O 3.46Å; A967-S1012 PolarHBondContact N-O 3.09Å; D968-S1012 WeakPolarHBondContact OD1-CA 3.28Å; D968-S1012 VanDerWaalsContact OD1-CB 3.25Å; D968-S1012 WeakPolarHBondContact OD1-CB 3.34Å; D968-S1012 PolarHBondContact OD1-N 2.96Å |
| 1013 | R | 83.9 | Confident | 70.8 | Confident | 8 Ų | 8 | 56 Ų | 56 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149.7 | 167.6 | 52.9 | 177.4 | 172.5 | 110.5 | -2.1 | 110 | D915 S920 F921 E923 L960 W964 T965 W966 | D915-R1013 IonicContact OD2-CZ 2.97Å; D915-R1013 VanDerWaalsContact OD2-CZ 3.28Å; D915-R1013 IonicContact OD2-NH1 3.24Å; D915-R1013 PolarHBondContact OD2-NH1 3.35Å; D915-R1013 IonicContact OD2-NH2 3.83Å; D915-R1013 PolarHBondContact OD2-NH2 3.22Å; S920-R1013 CarbonylContact C-O 3.47Å; S920-R1013 WeakPolarHBondContact CA-O 3.08Å; F921-R1013 HydrophobicContact CB-CG 4.06Å; F921-R1013 VanDerWaalsContact CD1-NH2 3.26Å; F921-R1013 PolarHBondContact N-O 2.8Å; F921-R1013 WeakPolarHBondContact O-CG 3.5Å; F921-R1013 PolarHBondContact O-N 2.66Å; E923-R1013 IonicContact OE2-CZ 3.22Å; E923-R1013 IonicContact OE2-NE 2.73Å; E923-R1013 PolarHBondContact OE2-NE 3.45Å; E923-R1013 IonicContact OE2-NH2 3.22Å; L960-R1013 HydrophobicContact CD2-CB 4.14Å; W964-R1013 HydrophobicContact CD2-CG 4.33Å; W964-R1013 HydrophobicContact CE3-CB 3.89Å; W964-R1013 HydrophobicContact CE3-CG 3.59Å; W964-R1013 HydrophobicContact CZ3-CG 4.02Å; W964-R1013 WeakPolarHBondContact CZ3-O 3.33Å; T965-R1013 CarbonylContact O-C 2.97Å; T965-R1013 VanDerWaalsContact O-CA 3.27Å; T965-R1013 WeakPolarHBondContact O-CA 3.16Å; T965-R1013 WeakPolarHBondContact O-CB 3.46Å; W966-R1013 HydrophobicContact CE3-CB 3.73Å; W966-R1013 HydrophobicContact CZ3-CB 3.82Å; W966-R1013 HydrophobicContact CZ3-CG 4.1Å |
| 1014 | I | 74.1 | Confident | 68.4 | Low | 82 Ų | 82 | 55.2 Ų | 55.2 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.9 | 177 | -61.8 | 161 | 0 | 0 | 0 | 108.1 | T919 T965 A967 | T919-I1014 WeakPolarHBondContact O-CA 3.48Å; T965-I1014 PolarHBondContact N-O 3.09Å; T965-I1014 PolarHBondContact O-N 2.85Å; T965-I1014 PolarHBondContact OG1-O 3.29Å; A967-I1014 HydrophobicContact CB-CD1 3.44Å; A967-I1014 VanDerWaalsContact CB-CD1 3.44Å; A967-I1014 HydrophobicContact CB-CG1 3.79Å |
| 1015 | L | 64.7 | Low | 65.8 | Low | 46 Ų | 46 | 57.5 Ų | 57.5 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 124 | 174.7 | -169.9 | 73.4 | 0 | 0 | 0 | 109.1 | T919 W964 | T919-L1015 PolarHBondContact O-N 3.48Å; W964-L1015 HydrophobicContact CD2-CB 4.3Å; W964-L1015 HydrophobicContact CD2-CD1 4.01Å; W964-L1015 HydrophobicContact CE3-CB 4.27Å; W964-L1015 VanDerWaalsContact CE3-N 3.35Å; W964-L1015 HydrophobicContact CG-CD1 4.16Å; W964-L1015 HydrophobicContact CH2-CB 4.33Å; W964-L1015 HydrophobicContact CZ2-CB 4.35Å; W964-L1015 HydrophobicContact CZ2-CD1 4.15Å; W964-L1015 HydrophobicContact CZ3-CB 4.28Å |
| 1016 | G | 57.5 | Low | 63.3 | Low | 24 Ų | 24 | 59.2 Ų | 59.2 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | trans | -78.7 | 155.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | G963 V1018 | G963-G1016 PolarHBondContact O-N 3.49Å; G1016-V1018 VanDerWaalsContact C-N 3.3Å; G1016-V1018 PolarHBondContact O-N 3.39Å | ||
| 1017 | D | 51.8 | Low | 60.7 | Low | 174 Ų | 174 | 61.1 Ų | 61.1 | 93% | 0.93 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22 | -174.1 | -79.5 | -24.5 | 0 | 0 | 0 | 115.6 | ||
| 1018 | V | 41 | Very low | 58.2 | Low | 150 Ų | 150 | 64.2 Ų | 64.2 | 91% | 0.909 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -2.2 | -169.5 | -164.5 | 0 | 0 | 0 | 0 | 112.7 | G1016 V1020 | G1016-V1018 VanDerWaalsContact C-N 3.3Å; G1016-V1018 PolarHBondContact O-N 3.39Å; V1018-V1020 PolarHBondContact O-N 2.81Å |
| 1019 | G | 37.8 | Very low | 55.5 | Low | 33 Ų | 33 | 65.1 Ų | 65.1 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -85.1 | 115.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1020 | V | 36 | Very low | 53 | Low | 90 Ų | 90 | 65.4 Ų | 65.4 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | trans | -37.8 | 119.5 | 148.8 | 176.2 | 0 | 0 | 0 | 0 | 105.4 | V1018 V1022 Q1024 | V1018-V1020 PolarHBondContact O-N 2.81Å; V1020-V1022 PolarHBondContact O-N 3.29Å; V1020-Q1024 HydrophobicContact CG1-CB 4.29Å | ||
| 1021 | P | 39.8 | Very low | 50.6 | Low | 43 Ų | 43 | 64.7 Ų | 64.7 | 28% | 0.279 | 35% | 0.354 | S | S | . | . | trans | -50 | 124.4 | -170 | -25.8 | 30.8 | 0 | 0 | 0 | 106.9 | K1023 Q1024 E1025 | P1021-K1023 HydrophobicContact CB-CB 3.73Å; P1021-K1023 CarbonylContact O-C 3.51Å; P1021-K1023 PolarHBondContact O-N 3.46Å; P1021-Q1024 HydrophobicContact CB-CB 4.41Å; P1021-Q1024 HydrophobicContact CB-CG 4.25Å; P1021-Q1024 HydrophobicContact CG-CG 4.13Å; P1021-Q1024 WeakPolarHBondContact O-CA 3.09Å; P1021-Q1024 PolarHBondContact O-N 2.9Å; P1021-E1025 PolarHBondContact O-N 3.34Å | ||
| 1022 | V | 42 | Very low | 48.3 | Very low | 53 Ų | 53 | 67.9 Ų | 67.9 | 32% | 0.321 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.3 | -21.5 | 171.7 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | S962 V1020 V1026 | S962-V1022 VanDerWaalsContact O-CG2 3.26Å; S962-V1022 WeakPolarHBondContact O-CG2 3.3Å; V1020-V1022 PolarHBondContact O-N 3.29Å; V1022-V1026 HydrophobicContact CG1-CG2 3.72Å; V1022-V1026 WeakPolarHBondContact O-CB 3.16Å; V1022-V1026 WeakPolarHBondContact O-CG2 3.42Å; V1022-V1026 PolarHBondContact O-N 3.47Å |
| 1023 | K | 41.4 | Very low | 46.1 | Very low | 98 Ų | 98 | 70 Ų | 70 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -45.4 | -62.7 | 156.5 | -80.6 | -174.1 | 178.4 | -179.1 | 0 | 112.3 | G917 P1021 L1027 | G917-K1023 VanDerWaalsContact O-CE 3.28Å; G917-K1023 WeakPolarHBondContact O-CE 3.33Å; G917-K1023 PolarHBondContact O-NZ 3.2Å; P1021-K1023 HydrophobicContact CB-CB 3.73Å; P1021-K1023 CarbonylContact O-C 3.51Å; P1021-K1023 PolarHBondContact O-N 3.46Å; K1023-L1027 WeakPolarHBondContact O-CA 3.28Å; K1023-L1027 WeakPolarHBondContact O-CB 3.23Å; K1023-L1027 PolarHBondContact O-N 3.24Å |
| 1024 | Q | 39.2 | Very low | 44.2 | Very low | 38 Ų | 38 | 74 Ų | 74 | 18% | 0.178 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | -177.6 | -75.3 | -176.7 | 7.2 | 0 | 0 | 113.5 | V1020 P1021 R1028 H1196 | V1020-Q1024 HydrophobicContact CG1-CB 4.29Å; P1021-Q1024 HydrophobicContact CB-CB 4.41Å; P1021-Q1024 HydrophobicContact CB-CG 4.25Å; P1021-Q1024 HydrophobicContact CG-CG 4.13Å; P1021-Q1024 WeakPolarHBondContact O-CA 3.09Å; P1021-Q1024 PolarHBondContact O-N 2.9Å; Q1024-R1028 WeakPolarHBondContact O-CA 3.12Å; Q1024-R1028 WeakPolarHBondContact O-CB 3.36Å; Q1024-R1028 WeakPolarHBondContact O-CG 3.11Å; Q1024-R1028 PolarHBondContact O-N 2.82Å; Q1024-H1196 PolarHBondContact NE2-CD2 3Å; Q1024-H1196 PolarHBondContact NE2-NE2 3.36Å; Q1024-H1196 VanDerWaalsContact NE2-NE2 3.16Å |
| 1025 | E | 39 | Very low | 42.7 | Very low | 89 Ų | 89 | 72.5 Ų | 72.5 | 42% | 0.416 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -74.4 | -45.4 | -175.8 | -167 | 60.4 | -156.6 | 0 | 0 | 111.6 | P1021 Q1029 | P1021-E1025 PolarHBondContact O-N 3.34Å; E1025-Q1029 WeakPolarHBondContact O-CB 3.17Å; E1025-Q1029 WeakPolarHBondContact O-CG 3.47Å; E1025-Q1029 PolarHBondContact O-N 3.18Å; E1025-Q1029 PolarHBondContact OE1-NE2 3.42Å |
| 1026 | V | 39.6 | Very low | 41.7 | Very low | 69 Ų | 69 | 77.6 Ų | 77.6 | 42% | 0.418 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.9 | -40.2 | 177.9 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | V1022 Q1029 V1030 | V1022-V1026 HydrophobicContact CG1-CG2 3.72Å; V1022-V1026 WeakPolarHBondContact O-CB 3.16Å; V1022-V1026 WeakPolarHBondContact O-CG2 3.42Å; V1022-V1026 PolarHBondContact O-N 3.47Å; V1026-Q1029 PolarHBondContact O-N 2.82Å; V1026-V1030 HydrophobicContact CG1-CG2 4.15Å; V1026-V1030 WeakPolarHBondContact O-CB 3.5Å; V1026-V1030 WeakPolarHBondContact O-CG2 3.43Å; V1026-V1030 PolarHBondContact O-N 2.8Å |
| 1027 | L | 39 | Very low | 41 | Very low | 67 Ų | 67 | 78.5 Ų | 78.5 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.9 | -39.7 | 178.2 | -161.1 | 74.6 | 0 | 0 | 0 | 111.4 | K1023 V1030 I1031 | K1023-L1027 WeakPolarHBondContact O-CA 3.28Å; K1023-L1027 WeakPolarHBondContact O-CB 3.23Å; K1023-L1027 PolarHBondContact O-N 3.24Å; L1027-V1030 PolarHBondContact O-N 3.08Å; L1027-I1031 HydrophobicContact CD1-CD1 3.55Å; L1027-I1031 HydrophobicContact CD1-CG1 4.08Å; L1027-I1031 HydrophobicContact CD2-CD1 4.18Å; L1027-I1031 HydrophobicContact CG-CD1 3.51Å; L1027-I1031 HydrophobicContact CG-CG1 4.06Å; L1027-I1031 WeakPolarHBondContact O-CA 3.43Å; L1027-I1031 WeakPolarHBondContact O-CB 3.33Å; L1027-I1031 VanDerWaalsContact O-CG1 3.26Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.43Å; L1027-I1031 PolarHBondContact O-N 2.93Å |
| 1028 | R | 40.9 | Very low | 40.6 | Very low | 119 Ų | 119 | 72 Ų | 72 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 170 | -78.1 | 177.8 | 174.9 | 170.4 | 2.8 | 110.9 | Q1024 V1030 A1032 H1196 | Q1024-R1028 WeakPolarHBondContact O-CA 3.12Å; Q1024-R1028 WeakPolarHBondContact O-CB 3.36Å; Q1024-R1028 WeakPolarHBondContact O-CG 3.11Å; Q1024-R1028 PolarHBondContact O-N 2.82Å; R1028-V1030 VanDerWaalsContact C-N 3.33Å; R1028-V1030 PolarHBondContact O-N 2.88Å; R1028-A1032 WeakPolarHBondContact O-CB 3.42Å; R1028-A1032 PolarHBondContact O-N 2.75Å; R1028-H1196 PolarHBondContact NH2-CE1 3.38Å; R1028-H1196 VanDerWaalsContact NH2-CE1 3.3Å |
| 1029 | Q | 38.2 | Very low | 40.7 | Very low | 69 Ų | 69 | 68.3 Ų | 68.3 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 179.1 | -74 | 176.8 | 6.2 | 0 | 0 | 111.8 | E1025 V1026 H1033 L1041 | E1025-Q1029 WeakPolarHBondContact O-CB 3.17Å; E1025-Q1029 WeakPolarHBondContact O-CG 3.47Å; E1025-Q1029 PolarHBondContact O-N 3.18Å; E1025-Q1029 PolarHBondContact OE1-NE2 3.42Å; V1026-Q1029 PolarHBondContact O-N 2.82Å; Q1029-H1033 PolarHBondContact O-ND1 2.89Å; Q1029-L1041 HydrophobicContact CB-CD1 4.37Å; Q1029-L1041 HydrophobicContact CB-CD2 3.98Å |
| 1030 | V | 39.2 | Very low | 41 | Very low | 30 Ų | 30 | 69.8 Ų | 69.8 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -81.7 | -29.9 | 179.8 | 172.4 | 0 | 0 | 0 | 0 | 113.2 | V1026 L1027 R1028 R1038 L1041 | V1026-V1030 HydrophobicContact CG1-CG2 4.15Å; V1026-V1030 WeakPolarHBondContact O-CB 3.5Å; V1026-V1030 WeakPolarHBondContact O-CG2 3.43Å; V1026-V1030 PolarHBondContact O-N 2.8Å; L1027-V1030 PolarHBondContact O-N 3.08Å; R1028-V1030 VanDerWaalsContact C-N 3.33Å; R1028-V1030 PolarHBondContact O-N 2.88Å; V1030-R1038 WeakPolarHBondContact O-CG 3.47Å; V1030-R1038 PolarHBondContact O-NE 2.85Å; V1030-L1041 HydrophobicContact CG2-CD2 3.69Å |
| 1031 | I | 41.5 | Very low | 41.3 | Very low | 26 Ų | 26 | 66.8 Ų | 66.8 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -98.4 | -35.4 | -175.2 | -60.2 | -170.8 | 0 | 0 | 0 | 112.8 | L1027 H1033 | L1027-I1031 HydrophobicContact CD1-CD1 3.55Å; L1027-I1031 HydrophobicContact CD1-CG1 4.08Å; L1027-I1031 HydrophobicContact CD2-CD1 4.18Å; L1027-I1031 HydrophobicContact CG-CD1 3.51Å; L1027-I1031 HydrophobicContact CG-CG1 4.06Å; L1027-I1031 WeakPolarHBondContact O-CA 3.43Å; L1027-I1031 WeakPolarHBondContact O-CB 3.33Å; L1027-I1031 VanDerWaalsContact O-CG1 3.26Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.43Å; L1027-I1031 PolarHBondContact O-N 2.93Å; I1031-H1033 PolarHBondContact O-N 2.92Å |
| 1032 | A | 41.2 | Very low | 41.4 | Very low | 83 Ų | 83 | 67.2 Ų | 67.2 | 69% | 0.686 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -69.3 | 5.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1028 | R1028-A1032 WeakPolarHBondContact O-CB 3.42Å; R1028-A1032 PolarHBondContact O-N 2.75Å |
| 1033 | H | 40.4 | Very low | 41.3 | Very low | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -119.9 | 130.3 | -169.8 | -80.4 | 98.7 | 0 | 0 | 0 | 110 | Q1029 I1031 S1037 | Q1029-H1033 PolarHBondContact O-ND1 2.89Å; I1031-H1033 PolarHBondContact O-N 2.92Å; H1033-S1037 VanDerWaalsContact CB-CB 3.46Å; H1033-S1037 VanDerWaalsContact CD2-CB 3.45Å; H1033-S1037 WeakPolarHBondContact CD2-CB 3.3Å |
| 1034 | D | 44.5 | Very low | 41.3 | Very low | 92 Ų | 92 | 69.4 Ų | 69.4 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | trans | -49.7 | 158.5 | 168.2 | 173.2 | 48.5 | 0 | 0 | 0 | 111.3 | Q1036 S1037 R1038 R1134 | D1034-Q1036 PolarHBondContact O-N 2.94Å; D1034-Q1036 PolarHBondContact OD2-N 3.23Å; D1034-S1037 CarbonylContact O-C 3.58Å; D1034-S1037 WeakPolarHBondContact O-CA 3.35Å; D1034-S1037 WeakPolarHBondContact O-CB 3.4Å; D1034-S1037 PolarHBondContact O-N 3.45Å; D1034-R1038 PolarHBondContact O-N 2.93Å; D1034-R1134 IonicContact OD1-NH2 2.83Å; D1034-R1134 PolarHBondContact OD1-NH2 2.67Å | ||
| 1035 | Q | 42.1 | Very low | 41.4 | Very low | 50 Ų | 50 | 73.3 Ų | 73.3 | 23% | 0.234 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -50.2 | -35.9 | -177.1 | -152.5 | 171.2 | 12.9 | 0 | 0 | 112.9 | R1038 L1039 | Q1035-R1038 WeakPolarHBondContact O-CB 3.49Å; Q1035-L1039 PolarHBondContact O-N 2.92Å |
| 1036 | Q | 42.9 | Very low | 41.3 | Very low | 153 Ų | 153 | 70.7 Ų | 70.7 | 72% | 0.715 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -72 | -36 | 177 | -159.9 | 156.4 | 6.7 | 0 | 0 | 112.5 | D1034 S1040 | D1034-Q1036 PolarHBondContact O-N 2.94Å; D1034-Q1036 PolarHBondContact OD2-N 3.23Å; Q1036-S1040 PolarHBondContact O-N 2.99Å |
| 1037 | S | 44.4 | Very low | 41.4 | Very low | 43 Ų | 43 | 75 Ų | 75 | 30% | 0.301 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -75 | -34.7 | 174.5 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | H1033 D1034 S1040 L1041 | H1033-S1037 VanDerWaalsContact CB-CB 3.46Å; H1033-S1037 VanDerWaalsContact CD2-CB 3.45Å; H1033-S1037 WeakPolarHBondContact CD2-CB 3.3Å; D1034-S1037 CarbonylContact O-C 3.58Å; D1034-S1037 WeakPolarHBondContact O-CA 3.35Å; D1034-S1037 WeakPolarHBondContact O-CB 3.4Å; D1034-S1037 PolarHBondContact O-N 3.45Å; S1037-S1040 WeakPolarHBondContact CA-OG 3.45Å; S1037-S1040 CarbonylContact O-C 3.49Å; S1037-S1040 PolarHBondContact O-N 3.03Å; S1037-S1040 PolarHBondContact O-OG 3.44Å; S1037-L1041 WeakPolarHBondContact O-CB 3.44Å; S1037-L1041 PolarHBondContact O-N 3.35Å |
| 1038 | R | 43.6 | Very low | 41.4 | Very low | 38 Ų | 38 | 79 Ų | 79 | 14% | 0.143 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 167.6 | -92.4 | 176.1 | 152.8 | 172.1 | -5 | 111.8 | V1030 D1034 Q1035 S1040 L1041 L1042 | V1030-R1038 WeakPolarHBondContact O-CG 3.47Å; V1030-R1038 PolarHBondContact O-NE 2.85Å; D1034-R1038 PolarHBondContact O-N 2.93Å; Q1035-R1038 WeakPolarHBondContact O-CB 3.49Å; R1038-S1040 VanDerWaalsContact C-N 3.34Å; R1038-L1041 PolarHBondContact O-N 2.88Å; R1038-L1042 WeakPolarHBondContact O-CB 3.46Å; R1038-L1042 PolarHBondContact O-N 2.97Å |
| 1039 | L | 42.1 | Very low | 41.3 | Very low | 71 Ų | 71 | 77.6 Ų | 77.6 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 173.6 | -83.7 | 162.5 | 0 | 0 | 0 | 111.5 | Q1035 L1041 L1042 Q1043 | Q1035-L1039 PolarHBondContact O-N 2.92Å; L1039-L1041 VanDerWaalsContact C-N 3.34Å; L1039-L1041 PolarHBondContact O-N 3.47Å; L1039-L1042 PolarHBondContact O-N 3.05Å; L1039-Q1043 WeakPolarHBondContact O-CB 3.48Å; L1039-Q1043 PolarHBondContact O-N 3.01Å |
| 1040 | S | 43.5 | Very low | 42 | Very low | 64 Ų | 64 | 77 Ų | 77 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 176.2 | 86.2 | 0 | 0 | 0 | 0 | 113 | Q1036 S1037 R1038 Q1043 S1044 | Q1036-S1040 PolarHBondContact O-N 2.99Å; S1037-S1040 WeakPolarHBondContact CA-OG 3.45Å; S1037-S1040 CarbonylContact O-C 3.49Å; S1037-S1040 PolarHBondContact O-N 3.03Å; S1037-S1040 PolarHBondContact O-OG 3.44Å; R1038-S1040 VanDerWaalsContact C-N 3.34Å; S1040-Q1043 CarbonylContact O-C 3.51Å; S1040-Q1043 WeakPolarHBondContact O-CB 3.41Å; S1040-Q1043 PolarHBondContact O-N 2.9Å; S1040-S1044 WeakPolarHBondContact O-CB 3.32Å; S1040-S1044 PolarHBondContact O-N 2.85Å |
| 1041 | L | 43.2 | Very low | 43.3 | Very low | 27 Ų | 27 | 81 Ų | 81 | 14% | 0.141 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -74.4 | -42.1 | 178.1 | -160 | 96.8 | 0 | 0 | 0 | 110.7 | Q1029 V1030 S1037 R1038 L1039 Q1043 S1044 L1045 | Q1029-L1041 HydrophobicContact CB-CD1 4.37Å; Q1029-L1041 HydrophobicContact CB-CD2 3.98Å; V1030-L1041 HydrophobicContact CG2-CD2 3.69Å; S1037-L1041 WeakPolarHBondContact O-CB 3.44Å; S1037-L1041 PolarHBondContact O-N 3.35Å; R1038-L1041 PolarHBondContact O-N 2.88Å; L1039-L1041 VanDerWaalsContact C-N 3.34Å; L1039-L1041 PolarHBondContact O-N 3.47Å; L1041-Q1043 PolarHBondContact O-N 3.07Å; L1041-S1044 WeakPolarHBondContact CA-OG 3.47Å; L1041-S1044 CarbonylContact O-C 3.55Å; L1041-S1044 WeakPolarHBondContact O-CA 3.44Å; L1041-S1044 PolarHBondContact O-N 3.1Å; L1041-S1044 PolarHBondContact O-OG 2.91Å; L1041-L1045 HydrophobicContact CD2-CD1 3.91Å; L1041-L1045 HydrophobicContact CG-CD1 4.22Å; L1041-L1045 WeakPolarHBondContact O-CB 3.3Å; L1041-L1045 WeakPolarHBondContact O-CG 3.44Å; L1041-L1045 PolarHBondContact O-N 2.65Å |
| 1042 | L | 40.9 | Very low | 44.9 | Very low | 52 Ų | 52 | 80.6 Ų | 80.6 | 27% | 0.272 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -53.8 | -44.1 | 168 | -107.2 | 136.1 | 0 | 0 | 0 | 110.9 | P906 L911 R1038 L1039 S1044 L1045 S1046 | P906-L1042 HydrophobicContact CG-CD1 4.37Å; L911-L1042 HydrophobicContact CD1-CD1 4.45Å; L911-L1042 HydrophobicContact CD2-CD1 4.38Å; L911-L1042 HydrophobicContact CD2-CD2 4.01Å; L911-L1042 HydrophobicContact CD2-CG 4.41Å; R1038-L1042 WeakPolarHBondContact O-CB 3.46Å; R1038-L1042 PolarHBondContact O-N 2.97Å; L1039-L1042 PolarHBondContact O-N 3.05Å; L1042-S1044 VanDerWaalsContact C-N 3.28Å; L1042-S1044 PolarHBondContact O-N 3.36Å; L1042-L1045 PolarHBondContact O-N 2.87Å; L1042-S1046 PolarHBondContact O-N 2.99Å; L1042-S1046 PolarHBondContact O-OG 3.39Å; L1042-S1046 VanDerWaalsContact O-OG 3.11Å |
| 1043 | Q | 40 | Very low | 47.2 | Very low | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.533 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.5 | -22 | 176.5 | -170.9 | 169 | 9.8 | 0 | 0 | 113.2 | L1039 S1040 L1041 S1046 P1049 | L1039-Q1043 WeakPolarHBondContact O-CB 3.48Å; L1039-Q1043 PolarHBondContact O-N 3.01Å; S1040-Q1043 CarbonylContact O-C 3.51Å; S1040-Q1043 WeakPolarHBondContact O-CB 3.41Å; S1040-Q1043 PolarHBondContact O-N 2.9Å; L1041-Q1043 PolarHBondContact O-N 3.07Å; Q1043-S1046 VanDerWaalsContact O-O 3.04Å; Q1043-P1049 HydrophobicContact CG-CB 4.39Å |
| 1044 | S | 41.9 | Very low | 49.5 | Very low | 83 Ų | 83 | 73.6 Ų | 73.6 | 58% | 0.58 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -88.6 | -28.4 | 174.8 | 76.9 | 0 | 0 | 0 | 0 | 113.6 | S1040 L1041 L1042 | S1040-S1044 WeakPolarHBondContact O-CB 3.32Å; S1040-S1044 PolarHBondContact O-N 2.85Å; L1041-S1044 WeakPolarHBondContact CA-OG 3.47Å; L1041-S1044 CarbonylContact O-C 3.55Å; L1041-S1044 WeakPolarHBondContact O-CA 3.44Å; L1041-S1044 PolarHBondContact O-N 3.1Å; L1041-S1044 PolarHBondContact O-OG 2.91Å; L1042-S1044 VanDerWaalsContact C-N 3.28Å; L1042-S1044 PolarHBondContact O-N 3.36Å |
| 1045 | L | 42.2 | Very low | 51.6 | Low | 120 Ų | 120 | 70.5 Ų | 70.5 | 63% | 0.628 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -83.6 | -13.7 | 180 | -72.2 | 170.1 | 0 | 0 | 0 | 112.9 | L1041 L1042 | L1041-L1045 HydrophobicContact CD2-CD1 3.91Å; L1041-L1045 HydrophobicContact CG-CD1 4.22Å; L1041-L1045 WeakPolarHBondContact O-CB 3.3Å; L1041-L1045 WeakPolarHBondContact O-CG 3.44Å; L1041-L1045 PolarHBondContact O-N 2.65Å; L1042-L1045 PolarHBondContact O-N 2.87Å |
| 1046 | S | 35.9 | Very low | 53.7 | Low | 35 Ų | 35 | 68.1 Ų | 68.1 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -110 | 131.6 | 166.4 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | L1042 Q1043 E1048 A1050 | L1042-S1046 PolarHBondContact O-N 2.99Å; L1042-S1046 PolarHBondContact O-OG 3.39Å; L1042-S1046 VanDerWaalsContact O-OG 3.11Å; Q1043-S1046 VanDerWaalsContact O-O 3.04Å; S1046-E1048 CarbonylContact C-O 3.56Å; S1046-E1048 WeakPolarHBondContact CB-O 3.32Å; S1046-E1048 PolarHBondContact O-N 3.3Å; S1046-E1048 PolarHBondContact OG-O 2.99Å; S1046-A1050 VanDerWaalsContact OG-CB 3.3Å; S1046-A1050 WeakPolarHBondContact OG-CB 3.16Å |
| 1047 | T | 41.8 | Very low | 55.6 | Low | 158 Ų | 158 | 65.5 Ų | 65.5 | 97% | 0.969 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -66.4 | -1.6 | 179.1 | 39.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1048 | E | 38.8 | Very low | 57.4 | Low | 152 Ų | 152 | 66.3 Ų | 66.3 | 71% | 0.71 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -131.3 | 154.5 | 168.9 | -70.5 | -172 | 166.4 | 0 | 0 | 107.8 | S1046 A1050 | S1046-E1048 CarbonylContact C-O 3.56Å; S1046-E1048 WeakPolarHBondContact CB-O 3.32Å; S1046-E1048 PolarHBondContact O-N 3.3Å; S1046-E1048 PolarHBondContact OG-O 2.99Å; E1048-A1050 PolarHBondContact O-N 3.47Å |
| 1049 | P | 39.7 | Very low | 59.3 | Low | 90 Ų | 90 | 65.3 Ų | 65.3 | 58% | 0.584 | 36% | 0.363 | S | S | * | . | trans | -59.1 | 93.4 | 170.7 | 25.6 | -32 | 0 | 0 | 0 | 107.2 | Q1043 E1051 | Q1043-P1049 HydrophobicContact CG-CB 4.39Å; P1049-E1051 PolarHBondContact O-N 3.45Å | ||
| 1050 | A | 52.2 | Low | 61 | Low | 56 Ų | 56 | 67.1 Ų | 67.1 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | trans | -62.7 | 110.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 104.5 | S1046 E1048 A1052 | S1046-A1050 VanDerWaalsContact OG-CB 3.3Å; S1046-A1050 WeakPolarHBondContact OG-CB 3.16Å; E1048-A1050 PolarHBondContact O-N 3.47Å; A1050-A1052 PolarHBondContact O-N 3.44Å | ||
| 1051 | E | 66.2 | Low | 62.6 | Low | 114 Ų | 114 | 66 Ų | 66 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | trans | -55.6 | 1.9 | 173.6 | -81.5 | -171.9 | 176.8 | 0 | 0 | 112.4 | P1049 W1053 R1076 | P1049-E1051 PolarHBondContact O-N 3.45Å; E1051-W1053 VanDerWaalsContact C-N 3.34Å; E1051-W1053 VanDerWaalsContact CB-CD1 3.47Å; E1051-W1053 PolarHBondContact OE2-NE1 3.43Å; E1051-R1076 VanDerWaalsContact CB-NH1 3.34Å; E1051-R1076 WeakPolarHBondContact O-CD 3.38Å; E1051-R1076 PolarHBondContact O-NH1 2.93Å; E1051-R1076 IonicContact OE2-NH1 3.58Å | ||
| 1052 | A | 76.1 | Confident | 64.2 | Low | 18 Ų | 18 | 70.4 Ų | 70.4 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | trans | 56.4 | 41.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | V904 P906 A1050 | V904-A1052 HydrophobicContact CG1-CB 3.46Å; V904-A1052 VanDerWaalsContact CG1-CB 3.46Å; P906-A1052 HydrophobicContact CB-CB 4.22Å; P906-A1052 HydrophobicContact CG-CB 4.34Å; A1050-A1052 PolarHBondContact O-N 3.44Å | ||
| 1053 | W | 88.7 | Confident | 66.3 | Low | 12 Ų | 12 | 68.6 Ų | 68.6 | 5% | 0.045 | 37% | 0.373 | C | S | . | . | trans | -69.2 | 138.1 | 167.3 | -70.8 | 107.5 | 0 | 0 | 0 | 111.1 | E855 Q857 E1051 Y1055 R1074 R1075 R1076 | E855-W1053 HydrophobicContact CB-CH2 4.25Å; E855-W1053 HydrophobicContact CB-CZ3 4.47Å; E855-W1053 HydrophobicContact CG-CH2 3.77Å; E855-W1053 HydrophobicContact CG-CZ3 4.39Å; E855-W1053 WeakPolarHBondContact O-CZ3 3.47Å; Q857-W1053 VanDerWaalsContact CD-CH2 3.47Å; Q857-W1053 HydrophobicContact CG-CH2 3.86Å; Q857-W1053 HydrophobicContact CG-CZ3 4.2Å; E1051-W1053 VanDerWaalsContact C-N 3.34Å; E1051-W1053 VanDerWaalsContact CB-CD1 3.47Å; E1051-W1053 PolarHBondContact OE2-NE1 3.43Å; W1053-Y1055 HydrophobicContact CB-CD2 4.46Å; W1053-Y1055 HydrophobicContact CB-CE1 4.29Å; W1053-Y1055 HydrophobicContact CB-CE2 3.69Å; W1053-Y1055 WeakPolarHBondContact CB-OH 3.12Å; W1053-Y1055 WeakPolarHBondContact O-CE2 3.44Å; W1053-R1074 HydrophobicContact CD2-CG 4.09Å; W1053-R1074 HydrophobicContact CE3-CB 4.05Å; W1053-R1074 HydrophobicContact CE3-CG 3.54Å; W1053-R1074 HydrophobicContact CZ3-CG 3.92Å; W1053-R1075 VanDerWaalsContact CE3-C 3.44Å; W1053-R1076 HydrophobicContact CD2-CB 4.11Å; W1053-R1076 HydrophobicContact CE3-CB 3.69Å; W1053-R1076 HydrophobicContact CH2-CB 4.33Å; W1053-R1076 HydrophobicContact CZ3-CB 3.82Å | ||
| 1054 | E | 88.8 | Confident | 68.2 | Low | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.8 | 171.1 | -50.7 | 175.9 | -177.3 | 0 | 0 | 107.2 | L910 F1063 R1074 R1075 | L910-E1054 HydrophobicContact CD1-CB 4.33Å; L910-E1054 VanDerWaalsContact CD1-CD 3.45Å; L910-E1054 HydrophobicContact CD1-CG 3.63Å; E1054-F1063 HydrophobicContact CB-CB 4.1Å; E1054-F1063 HydrophobicContact CB-CD1 3.78Å; E1054-F1063 HydrophobicContact CB-CG 4.27Å; E1054-F1063 WeakPolarHBondContact O-CD1 3.27Å; E1054-R1074 CarbonylContact O-C 3.6Å; E1054-R1074 WeakPolarHBondContact O-CA 3.45Å; E1054-R1074 WeakPolarHBondContact O-CB 3.47Å; E1054-R1075 WeakPolarHBondContact CA-O 3.29Å; E1054-R1075 HydrophobicContact CB-CG 4.02Å; E1054-R1075 WeakPolarHBondContact CB-O 3.49Å; E1054-R1075 PolarHBondContact N-O 3.03Å; E1054-R1075 PolarHBondContact O-N 3.44Å; E1054-R1075 IonicContact OE2-CZ 2.79Å; E1054-R1075 IonicContact OE2-NE 2.64Å; E1054-R1075 PolarHBondContact OE2-NE 3.44Å; E1054-R1075 IonicContact OE2-NH2 3.12Å; E1054-R1075 PolarHBondContact OE2-NH2 3.27Å |
| 1055 | Y | 88.1 | Confident | 69.9 | Low | 26 Ų | 26 | 63.8 Ų | 63.8 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 153.1 | -176 | -55.3 | -96.1 | 0 | 0 | 0 | 111.2 | W864 W1053 F1063 H1064 E1067 D1071 R1074 | W864-Y1055 HydrophobicContact CH2-CD1 4.08Å; W864-Y1055 AromaticContact CZ2-CD1 3.72Å; W864-Y1055 HydrophobicContact CZ2-CD1 3.72Å; W864-Y1055 AromaticContact CZ2-CE1 3.84Å; W864-Y1055 HydrophobicContact CZ2-CE1 3.84Å; W1053-Y1055 HydrophobicContact CB-CD2 4.46Å; W1053-Y1055 HydrophobicContact CB-CE1 4.29Å; W1053-Y1055 HydrophobicContact CB-CE2 3.69Å; W1053-Y1055 WeakPolarHBondContact CB-OH 3.12Å; W1053-Y1055 WeakPolarHBondContact O-CE2 3.44Å; Y1055-F1063 CarbonylContact O-C 3.4Å; Y1055-F1063 VanDerWaalsContact O-CA 3.25Å; Y1055-F1063 WeakPolarHBondContact O-CA 3.42Å; Y1055-H1064 VanDerWaalsContact C-CE1 3.43Å; Y1055-H1064 PolarHBondContact N-O 3.45Å; Y1055-H1064 PolarHBondContact O-CE1 3.43Å; Y1055-H1064 PolarHBondContact O-N 2.97Å; Y1055-H1064 PolarHBondContact O-ND1 3.39Å; Y1055-E1067 HydrophobicContact CD1-CB 3.72Å; Y1055-E1067 HydrophobicContact CD1-CG 3.7Å; Y1055-E1067 HydrophobicContact CD2-CB 4.09Å; Y1055-E1067 HydrophobicContact CE1-CB 3.59Å; Y1055-E1067 HydrophobicContact CE1-CG 3.67Å; Y1055-E1067 HydrophobicContact CE2-CB 3.99Å; Y1055-E1067 HydrophobicContact CG-CB 3.98Å; Y1055-E1067 HydrophobicContact CG-CG 4.37Å; Y1055-D1071 WeakPolarHBondContact CB-OD2 3.29Å; Y1055-R1074 HydrophobicContact CD1-CB 3.63Å; Y1055-R1074 HydrophobicContact CD1-CG 4.49Å; Y1055-R1074 HydrophobicContact CE1-CB 3.95Å; Y1055-R1074 HydrophobicContact CE1-CG 4.4Å; Y1055-R1074 HydrophobicContact CG-CB 4.23Å |
| 1056 | A | 87 | Confident | 71.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 159.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1058 F1063 D1071 M1072 V1073 | A1056-N1058 VanDerWaalsContact C-N 3.34Å; A1056-N1058 WeakPolarHBondContact CB-O 3.45Å; A1056-N1058 PolarHBondContact O-N 3.12Å; A1056-F1063 HydrophobicContact CB-CD1 3.74Å; A1056-F1063 HydrophobicContact CB-CD2 4.35Å; A1056-F1063 HydrophobicContact CB-CE1 3.78Å; A1056-F1063 HydrophobicContact CB-CE2 4.38Å; A1056-F1063 HydrophobicContact CB-CG 4.05Å; A1056-F1063 HydrophobicContact CB-CZ 4.1Å; A1056-D1071 WeakPolarHBondContact CA-OD1 3.41Å; A1056-D1071 WeakPolarHBondContact O-CA 3.18Å; A1056-M1072 PolarHBondContact O-N 3.39Å; A1056-V1073 HydrophobicContact CB-CG2 4Å; A1056-V1073 PolarHBondContact N-O 3.09Å; A1056-V1073 WeakPolarHBondContact O-CG2 3.14Å; A1056-V1073 PolarHBondContact O-N 3.38Å; A1056-V1073 VanDerWaalsContact O-N 3.08Å; A1056-V1073 VanDerWaalsContact O-O 3.06Å |
| 1057 | F | 81.8 | Confident | 73.7 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -56.8 | -46.7 | 171 | 178.1 | -103.4 | 0 | 0 | 0 | 111.7 | V1070 D1071 M1072 | F1057-V1070 HydrophobicContact CD2-CB 4.26Å; F1057-V1070 VanDerWaalsContact CD2-O 3.23Å; F1057-V1070 WeakPolarHBondContact CD2-O 3.49Å; F1057-D1071 PolarHBondContact N-OD1 3.14Å; F1057-M1072 HydrophobicContact CE2-SD 4.2Å; F1057-M1072 HydrophobicContact CZ-SD 4.36Å; F1057-M1072 WeakPolarHBondContact O-CB 3.15Å; F1057-M1072 WeakPolarHBondContact O-CG 3.24Å; F1057-M1072 PolarHBondContact O-N 2.97Å |
| 1058 | N | 83.6 | Confident | 75.4 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 32% | 0.316 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -148.4 | 171.6 | 171.3 | 64.5 | 40.1 | 0 | 0 | 0 | 110.1 | A1056 D1060 S1061 | A1056-N1058 VanDerWaalsContact C-N 3.34Å; A1056-N1058 WeakPolarHBondContact CB-O 3.45Å; A1056-N1058 PolarHBondContact O-N 3.12Å; N1058-D1060 PolarHBondContact O-N 3.28Å; N1058-D1060 VanDerWaalsContact O-N 3.14Å; N1058-D1060 PolarHBondContact OD1-N 3.47Å; N1058-S1061 VanDerWaalsContact CG-OG 3.28Å; N1058-S1061 WeakPolarHBondContact O-CB 3.47Å; N1058-S1061 PolarHBondContact O-N 2.73Å; N1058-S1061 PolarHBondContact OD1-N 3.15Å; N1058-S1061 PolarHBondContact OD1-OG 3.17Å |
| 1059 | F | 83 | Confident | 77.1 | Confident | 17 Ų | 17 | 65 Ų | 65 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.5 | -176.2 | -80.6 | -77.6 | 0 | 0 | 0 | 114.7 | N856 L871 R873 F1063 V1073 | N856-F1059 HydrophobicContact CB-CE1 4.07Å; N856-F1059 HydrophobicContact CB-CZ 3.83Å; N856-F1059 WeakPolarHBondContact OD1-CE1 3.45Å; L871-F1059 HydrophobicContact CD1-CE2 3.88Å; L871-F1059 HydrophobicContact CD1-CZ 3.9Å; R873-F1059 HydrophobicContact CB-CD2 4.06Å; R873-F1059 HydrophobicContact CB-CE1 4.45Å; R873-F1059 HydrophobicContact CB-CE2 3.83Å; R873-F1059 HydrophobicContact CB-CG 4.48Å; R873-F1059 HydrophobicContact CB-CZ 4.07Å; R873-F1059 HydrophobicContact CG-CB 4.17Å; R873-F1059 HydrophobicContact CG-CD1 4.05Å; R873-F1059 HydrophobicContact CG-CD2 3.33Å; R873-F1059 HydrophobicContact CG-CE1 4.33Å; R873-F1059 HydrophobicContact CG-CE2 3.66Å; R873-F1059 HydrophobicContact CG-CG 3.57Å; R873-F1059 HydrophobicContact CG-CZ 4.17Å; F1059-F1063 AromaticContact CD1-CZ 3.96Å; F1059-F1063 HydrophobicContact CD1-CZ 3.96Å; F1059-F1063 HydrophobicContact CE1-CZ 4.41Å; F1059-V1073 HydrophobicContact CD1-CG2 4.47Å; F1059-V1073 HydrophobicContact CD2-CB 4.05Å; F1059-V1073 HydrophobicContact CD2-CG1 3.61Å; F1059-V1073 HydrophobicContact CD2-CG2 4.22Å; F1059-V1073 HydrophobicContact CE1-CB 4.43Å; F1059-V1073 HydrophobicContact CE2-CB 3.73Å; F1059-V1073 HydrophobicContact CE2-CG1 3.43Å; F1059-V1073 VanDerWaalsContact CE2-CG1 3.43Å; F1059-V1073 HydrophobicContact CE2-CG2 4.34Å; F1059-V1073 HydrophobicContact CG-CG1 4.45Å; F1059-V1073 HydrophobicContact CG-CG2 4.27Å; F1059-V1073 HydrophobicContact CZ-CB 3.91Å; F1059-V1073 HydrophobicContact CZ-CG1 4.13Å; F1059-V1073 HydrophobicContact CZ-CG2 4.48Å |
| 1060 | D | 77 | Confident | 78.8 | Confident | 110 Ų | 110 | 62.8 Ų | 62.8 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1.2 | -179.7 | -53.4 | -53.8 | 0 | 0 | 0 | 111.3 | R873 R882 N1058 | R873-D1060 IonicContact NH2-OD1 3.87Å; R873-D1060 PolarHBondContact NH2-OD1 3.07Å; R873-D1060 VanDerWaalsContact NH2-OD1 3.13Å; R873-D1060 IonicContact NH2-OD2 2.66Å; R873-D1060 PolarHBondContact NH2-OD2 2.88Å; R873-D1060 VanDerWaalsContact NH2-OD2 3.11Å; R882-D1060 IonicContact NH2-OD1 2.68Å; N1058-D1060 PolarHBondContact O-N 3.28Å; N1058-D1060 VanDerWaalsContact O-N 3.14Å; N1058-D1060 PolarHBondContact OD1-N 3.47Å |
| 1061 | S | 77.1 | Confident | 80.4 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -93.2 | 159.8 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | N1058 F1063 | N1058-S1061 VanDerWaalsContact CG-OG 3.28Å; N1058-S1061 WeakPolarHBondContact O-CB 3.47Å; N1058-S1061 PolarHBondContact O-N 2.73Å; N1058-S1061 PolarHBondContact OD1-N 3.15Å; N1058-S1061 PolarHBondContact OD1-OG 3.17Å; S1061-F1063 PolarHBondContact O-N 3.22Å |
| 1062 | K | 78.3 | Confident | 81.4 | Confident | 119 Ų | 119 | 60 Ų | 60 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 123 | 177 | -174.5 | 171.4 | 180 | 168.8 | 0 | 111.1 | N606 | N606-K1062 VanDerWaalsContact OD1-CE 3.31Å; N606-K1062 WeakPolarHBondContact OD1-CE 3.41Å |
| 1063 | F | 84.9 | Confident | 82.1 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 153.6 | 176.7 | -76.9 | -89.9 | 0 | 0 | 0 | 112.8 | L910 E1054 Y1055 A1056 F1059 S1061 V1073 R1075 | L910-F1063 VanDerWaalsContact CD2-O 3.22Å; L910-F1063 WeakPolarHBondContact CD2-O 3.31Å; E1054-F1063 HydrophobicContact CB-CB 4.1Å; E1054-F1063 HydrophobicContact CB-CD1 3.78Å; E1054-F1063 HydrophobicContact CB-CG 4.27Å; E1054-F1063 WeakPolarHBondContact O-CD1 3.27Å; Y1055-F1063 CarbonylContact O-C 3.4Å; Y1055-F1063 VanDerWaalsContact O-CA 3.25Å; Y1055-F1063 WeakPolarHBondContact O-CA 3.42Å; A1056-F1063 HydrophobicContact CB-CD1 3.74Å; A1056-F1063 HydrophobicContact CB-CD2 4.35Å; A1056-F1063 HydrophobicContact CB-CE1 3.78Å; A1056-F1063 HydrophobicContact CB-CE2 4.38Å; A1056-F1063 HydrophobicContact CB-CG 4.05Å; A1056-F1063 HydrophobicContact CB-CZ 4.1Å; F1059-F1063 AromaticContact CD1-CZ 3.96Å; F1059-F1063 HydrophobicContact CD1-CZ 3.96Å; F1059-F1063 HydrophobicContact CE1-CZ 4.41Å; S1061-F1063 PolarHBondContact O-N 3.22Å; F1063-V1073 HydrophobicContact CE1-CG2 4.27Å; F1063-V1073 HydrophobicContact CZ-CG2 4.27Å; F1063-R1075 HydrophobicContact CD1-CG 3.88Å; F1063-R1075 VanDerWaalsContact CD2-CZ 3.4Å; F1063-R1075 HydrophobicContact CE1-CB 4.19Å; F1063-R1075 HydrophobicContact CE1-CG 3.52Å; F1063-R1075 VanDerWaalsContact CE2-CZ 3.49Å; F1063-R1075 VanDerWaalsContact CZ-CD 3.48Å; F1063-R1075 HydrophobicContact CZ-CG 3.92Å |
| 1064 | H | 79.3 | Confident | 82.2 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 13% | 0.13 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -150.6 | 159.9 | 177.3 | 47.8 | 39.6 | 0 | 0 | 0 | 112.5 | Y1055 K1066 R1068 D1071 | Y1055-H1064 VanDerWaalsContact C-CE1 3.43Å; Y1055-H1064 PolarHBondContact N-O 3.45Å; Y1055-H1064 PolarHBondContact O-CE1 3.43Å; Y1055-H1064 PolarHBondContact O-N 2.97Å; Y1055-H1064 PolarHBondContact O-ND1 3.39Å; H1064-K1066 PolarHBondContact ND1-O 2.82Å; H1064-R1068 PolarHBondContact CD2-NH1 2.67Å; H1064-R1068 PolarHBondContact CD2-NH2 3.36Å; H1064-R1068 WeakPolarHBondContact NE2-CD 3.47Å; H1064-R1068 PolarHBondContact NE2-NE 3.03Å; H1064-R1068 PolarHBondContact NE2-NH1 2.82Å; H1064-D1071 IonicContact CE1-OD1 2.9Å; H1064-D1071 PolarHBondContact CE1-OD1 3.11Å; H1064-D1071 VanDerWaalsContact CE1-OD1 3.26Å; H1064-D1071 IonicContact CE1-OD2 3.56Å; H1064-D1071 PolarHBondContact CE1-OD2 2.71Å; H1064-D1071 IonicContact NE2-OD1 3.28Å |
| 1065 | T | 76.5 | Confident | 82.4 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -76.7 | -26.2 | -172.1 | 45.6 | 0 | 0 | 0 | 0 | 115.5 | L910 | L910-T1065 HydrophobicContact CB-CG2 3.94Å; L910-T1065 WeakPolarHBondContact O-CG2 3.19Å |
| 1066 | K | 77.3 | Confident | 82.5 | Confident | 165 Ų | 165 | 62.4 Ų | 62.4 | 72% | 0.717 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -100.8 | 128.2 | -179.3 | -67.1 | -170.9 | 177.2 | -169.5 | 0 | 111 | H1064 | H1064-K1066 PolarHBondContact ND1-O 2.82Š|
| 1067 | E | 81.9 | Confident | 82.8 | Confident | 102 Ų | 102 | 63.2 Ų | 63.2 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | trans | -62.6 | 136.4 | 173.6 | -172.4 | 172.3 | -177.8 | 0 | 0 | 111.1 | W864 Y1055 | W864-E1067 HydrophobicContact CZ2-CG 4.22Å; W864-E1067 VanDerWaalsContact CZ2-OE1 3.29Å; W864-E1067 WeakPolarHBondContact CZ2-OE1 3.18Å; W864-E1067 PolarHBondContact NE1-OE1 2.98Å; Y1055-E1067 HydrophobicContact CD1-CB 3.72Å; Y1055-E1067 HydrophobicContact CD1-CG 3.7Å; Y1055-E1067 HydrophobicContact CD2-CB 4.09Å; Y1055-E1067 HydrophobicContact CE1-CB 3.59Å; Y1055-E1067 HydrophobicContact CE1-CG 3.67Å; Y1055-E1067 HydrophobicContact CE2-CB 3.99Å; Y1055-E1067 HydrophobicContact CG-CB 3.98Å; Y1055-E1067 HydrophobicContact CG-CG 4.37Å | ||
| 1068 | R | 77.4 | Confident | 83.2 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | trans | -120.5 | 153.3 | 174.5 | -54 | 175.1 | -179.6 | 165.9 | -0.7 | 108.6 | E950 H1064 V1070 D1071 | E950-R1068 HydrophobicContact CG-CB 4.26Å; E950-R1068 HydrophobicContact CG-CG 4.43Å; H1064-R1068 PolarHBondContact CD2-NH1 2.67Å; H1064-R1068 PolarHBondContact CD2-NH2 3.36Å; H1064-R1068 WeakPolarHBondContact NE2-CD 3.47Å; H1064-R1068 PolarHBondContact NE2-NE 3.03Å; H1064-R1068 PolarHBondContact NE2-NH1 2.82Å; R1068-V1070 HydrophobicContact CB-CG2 4.18Å; R1068-V1070 PolarHBondContact O-N 3.36Å; R1068-D1071 WeakPolarHBondContact CA-OD2 3.42Å; R1068-D1071 WeakPolarHBondContact CB-OD2 3.31Å; R1068-D1071 PolarHBondContact N-OD2 3.17Å; R1068-D1071 VanDerWaalsContact O-CB 3.3Å; R1068-D1071 WeakPolarHBondContact O-CB 3.44Å; R1068-D1071 PolarHBondContact O-N 3.35Å | ||
| 1069 | K | 73.7 | Confident | 83.6 | Confident | 155 Ų | 155 | 57.5 Ų | 57.5 | 67% | 0.674 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.1 | 179.2 | -65.6 | 174.9 | -177.1 | -179 | 0 | 113.5 | E950 D1071 | E950-K1069 WeakPolarHBondContact OE1-CA 3.35Å; E950-K1069 WeakPolarHBondContact OE1-CB 3.4Å; E950-K1069 VanDerWaalsContact OE1-CG 3.29Å; E950-K1069 WeakPolarHBondContact OE1-CG 3.42Å; E950-K1069 PolarHBondContact OE1-N 2.99Å; K1069-D1071 VanDerWaalsContact C-N 3.3Å |
| 1070 | V | 76.5 | Confident | 84 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 26% | 0.261 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -10.3 | 178 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | F1057 R1068 M1072 | F1057-V1070 HydrophobicContact CD2-CB 4.26Å; F1057-V1070 VanDerWaalsContact CD2-O 3.23Å; F1057-V1070 WeakPolarHBondContact CD2-O 3.49Å; R1068-V1070 HydrophobicContact CB-CG2 4.18Å; R1068-V1070 PolarHBondContact O-N 3.36Å; V1070-M1072 PolarHBondContact O-N 3.44Å |
| 1071 | D | 85.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -69.1 | 119.2 | -178.2 | -66.2 | -32.9 | 0 | 0 | 0 | 110.6 | W864 Y1055 A1056 F1057 H1064 R1068 K1069 | W864-D1071 HydrophobicContact CH2-CB 4.27Å; Y1055-D1071 WeakPolarHBondContact CB-OD2 3.29Å; A1056-D1071 WeakPolarHBondContact CA-OD1 3.41Å; A1056-D1071 WeakPolarHBondContact O-CA 3.18Å; F1057-D1071 PolarHBondContact N-OD1 3.14Å; H1064-D1071 IonicContact CE1-OD1 2.9Å; H1064-D1071 PolarHBondContact CE1-OD1 3.11Å; H1064-D1071 VanDerWaalsContact CE1-OD1 3.26Å; H1064-D1071 IonicContact CE1-OD2 3.56Å; H1064-D1071 PolarHBondContact CE1-OD2 2.71Å; H1064-D1071 IonicContact NE2-OD1 3.28Å; R1068-D1071 WeakPolarHBondContact CA-OD2 3.42Å; R1068-D1071 WeakPolarHBondContact CB-OD2 3.31Å; R1068-D1071 PolarHBondContact N-OD2 3.17Å; R1068-D1071 VanDerWaalsContact O-CB 3.3Å; R1068-D1071 WeakPolarHBondContact O-CB 3.44Å; R1068-D1071 PolarHBondContact O-N 3.35Å; K1069-D1071 VanDerWaalsContact C-N 3.3Å | ||
| 1072 | M | 86.8 | Confident | 85.3 | Confident | 104 Ų | 104 | 53 Ų | 53 | 51% | 0.512 | 24% | 0.242 | S | C | . | . | trans | -99.7 | -12.7 | 176.7 | -49.1 | -175.1 | 61.8 | 0 | 0 | 111.8 | A858 S859 A1056 F1057 V1070 | A858-M1072 CarbonylContact C-O 3.02Å; A858-M1072 WeakPolarHBondContact CA-O 3.42Å; S859-M1072 PolarHBondContact N-O 3.12Å; A1056-M1072 PolarHBondContact O-N 3.39Å; F1057-M1072 HydrophobicContact CE2-SD 4.2Å; F1057-M1072 HydrophobicContact CZ-SD 4.36Å; F1057-M1072 WeakPolarHBondContact O-CB 3.15Å; F1057-M1072 WeakPolarHBondContact O-CG 3.24Å; F1057-M1072 PolarHBondContact O-N 2.97Å; V1070-M1072 PolarHBondContact O-N 3.44Å | ||
| 1073 | V | 90 | Very high | 85.6 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149 | -178.7 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | Q857 W864 A1056 F1059 F1063 | Q857-V1073 WeakPolarHBondContact O-CA 3.41Å; W864-V1073 VanDerWaalsContact CZ3-C 3.46Å; A1056-V1073 HydrophobicContact CB-CG2 4Å; A1056-V1073 PolarHBondContact N-O 3.09Å; A1056-V1073 WeakPolarHBondContact O-CG2 3.14Å; A1056-V1073 PolarHBondContact O-N 3.38Å; A1056-V1073 VanDerWaalsContact O-N 3.08Å; A1056-V1073 VanDerWaalsContact O-O 3.06Å; F1059-V1073 HydrophobicContact CD1-CG2 4.47Å; F1059-V1073 HydrophobicContact CD2-CB 4.05Å; F1059-V1073 HydrophobicContact CD2-CG1 3.61Å; F1059-V1073 HydrophobicContact CD2-CG2 4.22Å; F1059-V1073 HydrophobicContact CE1-CB 4.43Å; F1059-V1073 HydrophobicContact CE2-CB 3.73Å; F1059-V1073 HydrophobicContact CE2-CG1 3.43Å; F1059-V1073 VanDerWaalsContact CE2-CG1 3.43Å; F1059-V1073 HydrophobicContact CE2-CG2 4.34Å; F1059-V1073 HydrophobicContact CG-CG1 4.45Å; F1059-V1073 HydrophobicContact CG-CG2 4.27Å; F1059-V1073 HydrophobicContact CZ-CB 3.91Å; F1059-V1073 HydrophobicContact CZ-CG1 4.13Å; F1059-V1073 HydrophobicContact CZ-CG2 4.48Å; F1063-V1073 HydrophobicContact CE1-CG2 4.27Å; F1063-V1073 HydrophobicContact CZ-CG2 4.27Å |
| 1074 | R | 92.1 | Very high | 85.3 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151 | 166.2 | 68.8 | -179.5 | -174.6 | 178.2 | 1.8 | 110.3 | Q857 W864 W1053 E1054 Y1055 | Q857-R1074 HydrophobicContact CB-CG 3.9Å; Q857-R1074 PolarHBondContact N-O 2.91Å; Q857-R1074 PolarHBondContact O-N 3.15Å; W864-R1074 VanDerWaalsContact CD2-CD 3.5Å; W864-R1074 HydrophobicContact CD2-CG 3.9Å; W864-R1074 HydrophobicContact CE3-CB 4.32Å; W864-R1074 HydrophobicContact CE3-CG 3.59Å; W864-R1074 VanDerWaalsContact CG-NE 3.32Å; W864-R1074 HydrophobicContact CH2-CB 4.04Å; W864-R1074 HydrophobicContact CH2-CG 4.17Å; W864-R1074 HydrophobicContact CZ2-CB 4.48Å; W864-R1074 HydrophobicContact CZ2-CG 4.45Å; W864-R1074 HydrophobicContact CZ3-CB 3.96Å; W864-R1074 HydrophobicContact CZ3-CG 3.74Å; W1053-R1074 HydrophobicContact CD2-CG 4.09Å; W1053-R1074 HydrophobicContact CE3-CB 4.05Å; W1053-R1074 HydrophobicContact CE3-CG 3.54Å; W1053-R1074 HydrophobicContact CZ3-CG 3.92Å; E1054-R1074 CarbonylContact O-C 3.6Å; E1054-R1074 WeakPolarHBondContact O-CA 3.45Å; E1054-R1074 WeakPolarHBondContact O-CB 3.47Å; Y1055-R1074 HydrophobicContact CD1-CB 3.63Å; Y1055-R1074 HydrophobicContact CD1-CG 4.49Å; Y1055-R1074 HydrophobicContact CE1-CB 3.95Å; Y1055-R1074 HydrophobicContact CE1-CG 4.4Å; Y1055-R1074 HydrophobicContact CG-CB 4.23Å |
| 1075 | R | 92.4 | Very high | 85.1 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 162.1 | 174.3 | 73.3 | -176.7 | -175.4 | -177.9 | -0.3 | 111.8 | Y854 E855 N856 N879 W1053 E1054 F1063 | Y854-R1075 HydrophobicContact CD1-CG 4.18Å; E855-R1075 CarbonylContact O-C 3.53Å; E855-R1075 WeakPolarHBondContact O-CA 3.34Å; N856-R1075 VanDerWaalsContact OD1-CB 3.28Å; N856-R1075 WeakPolarHBondContact OD1-CB 3.48Å; N879-R1075 PolarHBondContact O-NH1 2.86Å; W1053-R1075 VanDerWaalsContact CE3-C 3.44Å; E1054-R1075 WeakPolarHBondContact CA-O 3.29Å; E1054-R1075 HydrophobicContact CB-CG 4.02Å; E1054-R1075 WeakPolarHBondContact CB-O 3.49Å; E1054-R1075 PolarHBondContact N-O 3.03Å; E1054-R1075 PolarHBondContact O-N 3.44Å; E1054-R1075 IonicContact OE2-CZ 2.79Å; E1054-R1075 IonicContact OE2-NE 2.64Å; E1054-R1075 PolarHBondContact OE2-NE 3.44Å; E1054-R1075 IonicContact OE2-NH2 3.12Å; E1054-R1075 PolarHBondContact OE2-NH2 3.27Å; F1063-R1075 HydrophobicContact CD1-CG 3.88Å; F1063-R1075 VanDerWaalsContact CD2-CZ 3.4Å; F1063-R1075 HydrophobicContact CE1-CB 4.19Å; F1063-R1075 HydrophobicContact CE1-CG 3.52Å; F1063-R1075 VanDerWaalsContact CE2-CZ 3.49Å; F1063-R1075 VanDerWaalsContact CZ-CD 3.48Å; F1063-R1075 HydrophobicContact CZ-CG 3.92Å |
| 1076 | R | 91.1 | Very high | 84.7 | Confident | 27 Ų | 27 | 57 Ų | 57 | 10% | 0.102 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 130.9 | 175.6 | 172.3 | 166.4 | 65.5 | -178.3 | -6.4 | 110.5 | Y854 E855 V904 E1051 W1053 W1078 | Y854-R1076 CarbonylContact C-O 3.37Å; Y854-R1076 VanDerWaalsContact CA-O 3.29Å; Y854-R1076 WeakPolarHBondContact CA-O 3.37Å; E855-R1076 HydrophobicContact CB-CB 4.43Å; E855-R1076 PolarHBondContact N-O 2.94Å; E855-R1076 PolarHBondContact O-N 2.98Å; E855-R1076 IonicContact OE1-NH2 3.53Å; E855-R1076 IonicContact OE2-CZ 3.31Å; E855-R1076 IonicContact OE2-NE 3.72Å; E855-R1076 PolarHBondContact OE2-NE 3.29Å; E855-R1076 VanDerWaalsContact OE2-NE 3.1Å; E855-R1076 IonicContact OE2-NH2 2.65Å; E855-R1076 PolarHBondContact OE2-NH2 3.46Å; V904-R1076 HydrophobicContact CG1-CG 3.84Å; V904-R1076 HydrophobicContact CG2-CG 4.29Å; E1051-R1076 VanDerWaalsContact CB-NH1 3.34Å; E1051-R1076 WeakPolarHBondContact O-CD 3.38Å; E1051-R1076 PolarHBondContact O-NH1 2.93Å; E1051-R1076 IonicContact OE2-NH1 3.58Å; W1053-R1076 HydrophobicContact CD2-CB 4.11Å; W1053-R1076 HydrophobicContact CE3-CB 3.69Å; W1053-R1076 HydrophobicContact CH2-CB 4.33Å; W1053-R1076 HydrophobicContact CZ3-CB 3.82Å; R1076-W1078 VanDerWaalsContact O-CD1 3.29Å |
| 1077 | R | 91.8 | Very high | 83.9 | Confident | 18 Ų | 18 | 56 Ų | 56 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.1 | -177.3 | -167.1 | 169.6 | 76.6 | 174.4 | 1 | 112 | E852 Y854 V904 S905 P906 | E852-R1077 HydrophobicContact CG-CG 4.24Å; E852-R1077 WeakPolarHBondContact OE2-CD 3.43Å; Y854-R1077 HydrophobicContact CD1-CB 3.99Å; Y854-R1077 HydrophobicContact CD1-CG 4.25Å; Y854-R1077 HydrophobicContact CE1-CB 3.63Å; Y854-R1077 HydrophobicContact CE1-CG 3.64Å; Y854-R1077 HydrophobicContact CE2-CG 4.11Å; Y854-R1077 VanDerWaalsContact CZ-CD 3.42Å; Y854-R1077 WeakPolarHBondContact OH-CD 3.41Å; V904-R1077 WeakPolarHBondContact CA-O 3.2Å; S905-R1077 PolarHBondContact N-O 3.06Å; S905-R1077 VanDerWaalsContact O-CZ 3.23Å; S905-R1077 PolarHBondContact O-NE 3.35Å; S905-R1077 PolarHBondContact O-NH2 3.23Å; P906-R1077 PolarHBondContact O-NH2 2.82Å |
| 1078 | W | 92 | Very high | 82.6 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 13% | 0.125 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.2 | 179.9 | -69.3 | 89 | 0 | 0 | 0 | 110.4 | E852 T853 E855 W876 W902 Y903 V904 R1076 | E852-W1078 WeakPolarHBondContact CA-O 3.47Å; T853-W1078 HydrophobicContact CG2-CB 3.97Å; T853-W1078 PolarHBondContact N-O 3.35Å; T853-W1078 PolarHBondContact O-N 2.76Å; E855-W1078 PolarHBondContact OE2-NE1 3.16Å; E855-W1078 VanDerWaalsContact OE2-NE1 3.11Å; W876-W1078 AromaticContact CH2-CD1 3.88Å; W876-W1078 HydrophobicContact CH2-CG 4.43Å; W876-W1078 AromaticContact CH2-NE1 3.56Å; W876-W1078 AromaticContact CZ3-CD1 3.5Å; W876-W1078 VanDerWaalsContact CZ3-CD1 3.5Å; W876-W1078 HydrophobicContact CZ3-CG 4.02Å; W876-W1078 AromaticContact CZ3-NE1 3.7Å; W902-W1078 HydrophobicContact CB-CE3 3.95Å; W902-W1078 HydrophobicContact CB-CZ3 4.36Å; W902-W1078 HydrophobicContact CE3-CB 3.86Å; W902-W1078 HydrophobicContact CZ3-CB 4.29Å; Y903-W1078 WeakPolarHBondContact O-CA 3.46Å; V904-W1078 HydrophobicContact CG2-CD2 4.05Å; V904-W1078 HydrophobicContact CG2-CE3 3.92Å; V904-W1078 HydrophobicContact CG2-CH2 3.74Å; V904-W1078 HydrophobicContact CG2-CZ2 3.88Å; V904-W1078 HydrophobicContact CG2-CZ3 3.77Å; R1076-W1078 VanDerWaalsContact O-CD1 3.29Å |
| 1079 | H | 90.9 | Very high | 81.5 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 2% | 0.023 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.9 | 174.1 | -73.5 | 175.5 | 0 | 0 | 0 | 111 | V850 A851 E852 W902 Y903 S905 | V850-H1079 HydrophobicContact CB-CB 4.46Å; A851-H1079 CarbonylContact O-C 3.48Å; A851-H1079 VanDerWaalsContact O-CA 3.27Å; A851-H1079 WeakPolarHBondContact O-CA 3.35Å; E852-H1079 IonicContact OE2-CD2 3.18Å; E852-H1079 IonicContact OE2-CE1 3.73Å; E852-H1079 IonicContact OE2-NE2 3.1Å; E852-H1079 PolarHBondContact OE2-NE2 2.88Å; W902-H1079 WeakPolarHBondContact CA-O 3.3Å; W902-H1079 VanDerWaalsContact CE3-C 3.48Å; Y903-H1079 WeakPolarHBondContact CD1-O 3.32Å; Y903-H1079 HydrophobicContact CE1-CB 4.1Å; Y903-H1079 HydrophobicContact CE2-CB 3.92Å; Y903-H1079 PolarHBondContact N-O 3.27Å; Y903-H1079 PolarHBondContact O-N 3.36Å; S905-H1079 VanDerWaalsContact CB-ND1 3.29Å; S905-H1079 WeakPolarHBondContact CB-ND1 3.45Å; S905-H1079 PolarHBondContact OG-ND1 3.12Å |
| 1080 | R | 92.6 | Very high | 80.6 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 17% | 0.17 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 129.1 | 166.7 | -170.2 | 176.4 | -170.6 | 172.7 | 12.9 | 109.5 | V850 A851 W898 G900 D901 W902 L1082 | V850-R1080 CarbonylContact C-O 3.54Å; V850-R1080 WeakPolarHBondContact CA-O 3.43Å; A851-R1080 PolarHBondContact N-O 3.08Å; A851-R1080 PolarHBondContact O-N 3.16Å; W898-R1080 HydrophobicContact CD2-CG 4.33Å; W898-R1080 HydrophobicContact CE3-CB 4.15Å; W898-R1080 VanDerWaalsContact CE3-CD 3.41Å; W898-R1080 HydrophobicContact CE3-CG 3.58Å; W898-R1080 HydrophobicContact CZ3-CB 3.95Å; W898-R1080 HydrophobicContact CZ3-CG 3.92Å; G900-R1080 PolarHBondContact O-NE 3.14Å; G900-R1080 PolarHBondContact O-NH2 3.44Å; D901-R1080 IonicContact OD1-NH2 2.72Å; D901-R1080 PolarHBondContact OD1-NH2 2.97Å; W902-R1080 HydrophobicContact CD2-CB 3.59Å; W902-R1080 HydrophobicContact CD2-CG 4.39Å; W902-R1080 HydrophobicContact CE3-CB 3.62Å; W902-R1080 HydrophobicContact CG-CB 4.08Å; W902-R1080 HydrophobicContact CG-CG 4.46Å; W902-R1080 HydrophobicContact CH2-CB 4.24Å; W902-R1080 HydrophobicContact CZ2-CB 4.22Å; W902-R1080 HydrophobicContact CZ3-CB 3.94Å; R1080-L1082 WeakPolarHBondContact O-CD1 3.34Å |
| 1081 | A | 90.3 | Very high | 79.5 | Confident | 14 Ų | 14 | 50 Ų | 50 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 150.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V850 V899 | V850-A1081 HydrophobicContact CG1-CB 4.45Å; V899-A1081 HydrophobicContact CB-CB 4.15Å; V899-A1081 PolarHBondContact N-O 3.43Å |
| 1082 | L | 89.7 | Confident | 78.3 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.7 | 176 | -53.4 | 91.7 | 0 | 0 | 0 | 109.9 | V849 A851 L892 W896 E897 W898 R1080 L1096 | V849-L1082 HydrophobicContact CG1-CD1 4.35Å; V849-L1082 PolarHBondContact O-N 3.42Å; A851-L1082 HydrophobicContact CB-CD1 3.99Å; L892-L1082 HydrophobicContact CD2-CD2 3.18Å; L892-L1082 HydrophobicContact CD2-CG 4.22Å; W896-L1082 HydrophobicContact CE3-CB 3.78Å; W896-L1082 HydrophobicContact CZ3-CB 4.1Å; E897-L1082 WeakPolarHBondContact O-CA 3.24Å; W898-L1082 HydrophobicContact CE3-CD1 4.43Å; W898-L1082 HydrophobicContact CE3-CD2 4.18Å; W898-L1082 HydrophobicContact CE3-CG 3.76Å; W898-L1082 HydrophobicContact CH2-CD2 4.16Å; W898-L1082 HydrophobicContact CH2-CG 4.4Å; W898-L1082 HydrophobicContact CZ3-CD1 3.82Å; W898-L1082 HydrophobicContact CZ3-CD2 3.75Å; W898-L1082 HydrophobicContact CZ3-CG 3.53Å; R1080-L1082 WeakPolarHBondContact O-CD1 3.34Å; L1082-L1096 HydrophobicContact CD2-CD2 3.61Å |
| 1083 | A | 84.4 | Confident | 77.4 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 24% | 0.24 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E897 V899 | E897-A1083 PolarHBondContact N-O 2.89Å; E897-A1083 PolarHBondContact O-N 3.11Å; V899-A1083 HydrophobicContact CG2-CB 3.49Å; V899-A1083 VanDerWaalsContact CG2-CB 3.49Å |
| 1084 | P | 78.4 | Confident | 76.5 | Confident | 36 Ų | 36 | 49 Ų | 49 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 139.4 | 168.8 | 13.3 | -5.5 | 0 | 0 | 0 | 110.1 | G895 E1086 E1090 | G895-P1084 CarbonylContact O-C 3.41Å; G895-P1084 WeakPolarHBondContact O-CA 3.41Å; P1084-E1086 VanDerWaalsContact C-N 3.33Å; P1084-E1086 PolarHBondContact O-N 2.95Å; P1084-E1090 HydrophobicContact CB-CB 4.39Å; P1084-E1090 HydrophobicContact CB-CG 3.68Å; P1084-E1090 HydrophobicContact CG-CB 4.27Å; P1084-E1090 HydrophobicContact CG-CG 3.21Å |
| 1085 | K | 76.4 | Confident | 75.8 | Confident | 125 Ų | 125 | 48.3 Ų | 48.3 | 54% | 0.543 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -66.5 | -34 | -179.5 | -74.1 | -179.5 | 173.2 | 177.8 | 0 | 113.3 | G895 W896 E897 | G895-K1085 WeakPolarHBondContact O-CB 3.4Å; G895-K1085 PolarHBondContact O-N 3.31Å; W896-K1085 VanDerWaalsContact O-CE 3.31Å; W896-K1085 WeakPolarHBondContact O-CE 3.43Å; E897-K1085 HydrophobicContact CB-CG 3.81Å; E897-K1085 HydrophobicContact CG-CG 3.86Å |
| 1086 | E | 67 | Low | 75.4 | Confident | 125 Ų | 125 | 46.4 Ų | 46.4 | 58% | 0.584 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -137.3 | 151.9 | 178.2 | -65.4 | -179.5 | -176.2 | 0 | 0 | 108.3 | P1084 S1088 S1089 E1090 | P1084-E1086 VanDerWaalsContact C-N 3.33Å; P1084-E1086 PolarHBondContact O-N 2.95Å; E1086-S1088 VanDerWaalsContact CB-OG 3.29Å; E1086-S1088 WeakPolarHBondContact CB-OG 3.31Å; E1086-S1088 PolarHBondContact O-N 3.48Å; E1086-S1088 VanDerWaalsContact O-N 3.16Å; E1086-S1088 PolarHBondContact OE2-OG 3.39Å; E1086-S1089 WeakPolarHBondContact O-CA 3.07Å; E1086-S1089 VanDerWaalsContact O-CB 3.3Å; E1086-S1089 WeakPolarHBondContact O-CB 3.42Å; E1086-S1089 PolarHBondContact O-N 3.29Å; E1086-E1090 PolarHBondContact O-N 3.45Å |
| 1087 | L | 60 | Low | 74.8 | Confident | 143 Ų | 143 | 50 Ų | 50 | 75% | 0.749 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -55.4 | -32.2 | 172.3 | -99.1 | 84.6 | 0 | 0 | 0 | 111.9 | S1089 E1090 | L1087-S1089 VanDerWaalsContact C-N 3.3Å; L1087-S1089 PolarHBondContact O-N 3.04Å; L1087-E1090 WeakPolarHBondContact O-CB 3.38Å; L1087-E1090 PolarHBondContact O-N 3.39Å |
| 1088 | S | 55.7 | Low | 74 | Confident | 73 Ų | 73 | 50 Ų | 50 | 51% | 0.51 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -64.6 | -34 | 173.3 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | E1086 E1090 T1091 | E1086-S1088 VanDerWaalsContact CB-OG 3.29Å; E1086-S1088 WeakPolarHBondContact CB-OG 3.31Å; E1086-S1088 PolarHBondContact O-N 3.48Å; E1086-S1088 VanDerWaalsContact O-N 3.16Å; E1086-S1088 PolarHBondContact OE2-OG 3.39Å; S1088-E1090 VanDerWaalsContact C-N 3.26Å; S1088-E1090 PolarHBondContact O-N 2.91Å; S1088-T1091 PolarHBondContact O-OG1 2.9Å; S1088-T1091 VanDerWaalsContact O-OG1 3.14Å |
| 1089 | S | 53.8 | Low | 73.1 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -76.8 | -13.2 | -176.6 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | G895 E1086 L1087 T1091 S1092 | G895-S1089 WeakPolarHBondContact O-CB 3.38Å; E1086-S1089 WeakPolarHBondContact O-CA 3.07Å; E1086-S1089 VanDerWaalsContact O-CB 3.3Å; E1086-S1089 WeakPolarHBondContact O-CB 3.42Å; E1086-S1089 PolarHBondContact O-N 3.29Å; L1087-S1089 VanDerWaalsContact C-N 3.3Å; L1087-S1089 PolarHBondContact O-N 3.04Å; S1089-T1091 PolarHBondContact O-N 2.81Å; S1089-T1091 VanDerWaalsContact O-N 3.09Å; S1089-S1092 VanDerWaalsContact O-CB 3.26Å; S1089-S1092 WeakPolarHBondContact O-CB 3.17Å; S1089-S1092 PolarHBondContact O-N 3.07Å; S1089-S1092 PolarHBondContact O-OG 3Å |
| 1090 | E | 54.3 | Low | 71.4 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -54.3 | -27.2 | 174.4 | -80.9 | 174.8 | -175.2 | 0 | 0 | 112 | R835 P1084 E1086 L1087 S1088 S1092 | R835-E1090 PolarHBondContact NH1-O 3.4Å; R835-E1090 IonicContact NH2-OE2 3.51Å; P1084-E1090 HydrophobicContact CB-CB 4.39Å; P1084-E1090 HydrophobicContact CB-CG 3.68Å; P1084-E1090 HydrophobicContact CG-CB 4.27Å; P1084-E1090 HydrophobicContact CG-CG 3.21Å; E1086-E1090 PolarHBondContact O-N 3.45Å; L1087-E1090 WeakPolarHBondContact O-CB 3.38Å; L1087-E1090 PolarHBondContact O-N 3.39Å; S1088-E1090 VanDerWaalsContact C-N 3.26Å; S1088-E1090 PolarHBondContact O-N 2.91Å; E1090-S1092 PolarHBondContact O-N 3.14Å |
| 1091 | T | 53.9 | Low | 69.3 | Low | 71 Ų | 71 | 62.6 Ų | 62.6 | 44% | 0.436 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -71.1 | -7.4 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | R835 S1088 S1089 | R835-T1091 VanDerWaalsContact CZ-CG2 3.42Å; R835-T1091 VanDerWaalsContact NH2-CG2 3.32Å; S1088-T1091 PolarHBondContact O-OG1 2.9Å; S1088-T1091 VanDerWaalsContact O-OG1 3.14Å; S1089-T1091 PolarHBondContact O-N 2.81Å; S1089-T1091 VanDerWaalsContact O-N 3.09Å |
| 1092 | S | 61.2 | Low | 66.7 | Low | 37 Ų | 37 | 67.3 Ų | 67.3 | 26% | 0.259 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -79.5 | 131.1 | -179.4 | -49.2 | 0 | 0 | 0 | 0 | 109.7 | T894 W896 S1089 E1090 C1094 | T894-S1092 WeakPolarHBondContact O-CB 2.9Å; T894-S1092 PolarHBondContact O-OG 2.59Å; W896-S1092 PolarHBondContact NE1-O 3.22Å; S1089-S1092 VanDerWaalsContact O-CB 3.26Å; S1089-S1092 WeakPolarHBondContact O-CB 3.17Å; S1089-S1092 PolarHBondContact O-N 3.07Å; S1089-S1092 PolarHBondContact O-OG 3Å; E1090-S1092 PolarHBondContact O-N 3.14Å; S1092-C1094 PolarHBondContact O-N 2.7Å |
| 1093 | S | 67.6 | Low | 64.1 | Low | 55 Ų | 55 | 75.5 Ų | 75.5 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | trans | -46.9 | 135.6 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | P893 W896 V1095 | P893-S1093 WeakPolarHBondContact CB-O 3.49Å; P893-S1093 WeakPolarHBondContact CG-O 3.19Å; W896-S1093 PolarHBondContact NE1-O 2.85Å; S1093-V1095 PolarHBondContact O-N 3.18Å; S1093-V1095 VanDerWaalsContact OG-CG2 3.29Å; S1093-V1095 WeakPolarHBondContact OG-CG2 3.49Å; S1093-V1095 PolarHBondContact OG-N 3.21Å | ||
| 1094 | C | 70.7 | Confident | 61.5 | Low | 9 Ų | 9 | 82.2 Ų | 82.2 | 6% | 0.061 | 44% | 0.442 | C | S | . | . | trans | -84.5 | 6.4 | 178.1 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | M627 V849 W896 S1092 L1096 P1129 | M627-C1094 VanDerWaalsContact CE-SG 3.56Å; V849-C1094 HydrophobicContact CG1-CB 4.48Å; W896-C1094 HydrophobicContact CH2-CB 4.09Å; W896-C1094 HydrophobicContact CZ2-CB 3.67Å; S1092-C1094 PolarHBondContact O-N 2.7Å; C1094-L1096 PolarHBondContact O-N 3.19Å; C1094-P1129 HydrophobicContact CB-CG 3.98Å; C1094-P1129 VanDerWaalsContact O-CD 3.23Å; C1094-P1129 WeakPolarHBondContact O-CD 3.32Å; C1094-P1129 WeakPolarHBondContact O-CG 3.35Å; C1094-P1129 VanDerWaalsContact SG-CG 3.58Å | ||
| 1095 | V | 78.3 | Confident | 59.2 | Low | 18 Ų | 18 | 85.7 Ų | 85.7 | 11% | 0.109 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 130.1 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | T596 P597 P893 S1093 L1126 V1128 | T596-V1095 HydrophobicContact CG2-CG2 4.34Å; P597-V1095 WeakPolarHBondContact O-CG2 3.37Å; P893-V1095 WeakPolarHBondContact CG-O 3.47Å; S1093-V1095 PolarHBondContact O-N 3.18Å; S1093-V1095 VanDerWaalsContact OG-CG2 3.29Å; S1093-V1095 WeakPolarHBondContact OG-CG2 3.49Å; S1093-V1095 PolarHBondContact OG-N 3.21Å; V1095-L1126 HydrophobicContact CG1-CB 4.18Å; V1095-L1126 HydrophobicContact CG1-CD2 4.05Å; V1095-L1126 HydrophobicContact CG1-CG 4.48Å; V1095-V1128 HydrophobicContact CG2-CG1 4.39Å |
| 1096 | L | 82.1 | Confident | 57 | Low | 1 Ų | 1 | 87.3 Ų | 87.3 | 1% | 0.005 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 140.9 | -173.4 | -55.7 | 169.8 | 0 | 0 | 0 | 110.6 | A851 I890 L892 L1082 C1094 L1126 T1127 P1129 | A851-L1096 HydrophobicContact CB-CD1 3.76Å; I890-L1096 HydrophobicContact CG2-CB 3.96Å; I890-L1096 HydrophobicContact CG2-CD1 3.93Å; I890-L1096 HydrophobicContact CG2-CD2 4.34Å; I890-L1096 HydrophobicContact CG2-CG 4.3Å; L892-L1096 HydrophobicContact CD2-CD2 3.85Å; L1082-L1096 HydrophobicContact CD2-CD2 3.61Å; C1094-L1096 PolarHBondContact O-N 3.19Å; L1096-L1126 CarbonylContact O-C 3.57Å; L1096-L1126 VanDerWaalsContact O-CA 3.29Å; L1096-L1126 WeakPolarHBondContact O-CA 3.41Å; L1096-T1127 HydrophobicContact CB-CG2 3.67Å; L1096-T1127 WeakPolarHBondContact CB-O 3.48Å; L1096-T1127 HydrophobicContact CD1-CG2 4.1Å; L1096-T1127 HydrophobicContact CG-CG2 4.45Å; L1096-T1127 PolarHBondContact N-O 3.22Å; L1096-T1127 PolarHBondContact O-N 2.9Å; L1096-P1129 HydrophobicContact CD1-CB 4.36Å |
| 1097 | Q | 78.5 | Confident | 55.1 | Low | 102 Ų | 102 | 86.5 Ų | 86.5 | 48% | 0.477 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 149.8 | 174.6 | -76.9 | 178.3 | -1.2 | 0 | 0 | 111.3 | I890 Q891 N1125 L1126 | I890-Q1097 CarbonylContact C-O 3.57Å; I890-Q1097 WeakPolarHBondContact CA-O 3.4Å; Q891-Q1097 HydrophobicContact CB-CB 4.12Å; Q891-Q1097 PolarHBondContact N-O 3.16Å; Q891-Q1097 PolarHBondContact O-N 3.46Å; Q1097-N1125 CarbonylContact C-O 3.59Å; Q1097-N1125 VanDerWaalsContact CA-O 3.31Å; Q1097-N1125 WeakPolarHBondContact CA-O 3.4Å; Q1097-L1126 HydrophobicContact CB-CD2 4.49Å; Q1097-L1126 HydrophobicContact CG-CD2 3.6Å |
| 1098 | I | 76.7 | Confident | 53.7 | Low | 19 Ų | 19 | 84.3 Ų | 84.3 | 10% | 0.097 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.7 | 176.7 | -43.1 | 162.9 | 0 | 0 | 0 | 107.9 | L885 S889 S1100 N1125 T1127 | L885-I1098 HydrophobicContact CD1-CD1 3.34Å; L885-I1098 HydrophobicContact CD1-CG1 3.62Å; L885-I1098 HydrophobicContact CD1-CG2 4.29Å; S889-I1098 CarbonylContact O-C 3.38Å; S889-I1098 WeakPolarHBondContact O-CA 3.44Å; S889-I1098 VanDerWaalsContact OG-CG2 3.27Å; S889-I1098 WeakPolarHBondContact OG-CG2 3.39Å; I1098-S1100 PolarHBondContact O-N 3.46Å; I1098-N1125 HydrophobicContact CB-CB 3.73Å; I1098-N1125 PolarHBondContact N-O 3.21Å; I1098-N1125 WeakPolarHBondContact O-CB 3.46Å; I1098-N1125 VanDerWaalsContact O-CG 3.29Å; I1098-N1125 PolarHBondContact O-ND2 3.27Å; I1098-T1127 HydrophobicContact CD1-CG2 4.44Å; I1098-T1127 HydrophobicContact CG1-CG2 4.22Å |
| 1099 | R | 72.4 | Confident | 52.4 | Low | 154 Ų | 154 | 88.6 Ų | 88.6 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | trans | -69.7 | 131.1 | 174.9 | -77.2 | 177.1 | 172 | 171.1 | -3.8 | 110.8 | S889 Q891 N1125 | S889-R1099 PolarHBondContact O-N 3.05Å; Q891-R1099 HydrophobicContact CG-CG 3.82Å; R1099-N1125 VanDerWaalsContact C-ND2 3.29Å | ||
| 1100 | S | 55.8 | Low | 51.3 | Low | 84 Ų | 84 | 97.2 Ų | 97.2 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | trans | -78.2 | 123 | 168.7 | 81.6 | 0 | 0 | 0 | 0 | 109 | I1098 S1102 N1125 | I1098-S1100 PolarHBondContact O-N 3.46Å; S1100-S1102 VanDerWaalsContact C-N 3.3Å; S1100-S1102 PolarHBondContact O-N 3.04Å; S1100-N1125 VanDerWaalsContact CA-ND2 3.3Å; S1100-N1125 WeakPolarHBondContact CA-ND2 3.38Å; S1100-N1125 WeakPolarHBondContact CB-ND2 3.49Å; S1100-N1125 PolarHBondContact N-ND2 3.47Å | ||
| 1101 | S | 47.6 | Very low | 50.1 | Low | 109 Ų | 109 | 101.6 Ų | 101.6 | 76% | 0.762 | 55% | 0.552 | S | S | * | * | trans | -75.2 | 87.7 | 166.9 | 54.3 | 0 | 0 | 0 | 0 | 108.5 | K1103 | S1101-K1103 PolarHBondContact O-N 3.49Š| ||
| 1102 | S | 36.7 | Very low | 48.9 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 78% | 0.783 | 57% | 0.568 | S | S | * | * | trans | -73.6 | 41.8 | 171.9 | 46.3 | 0 | 0 | 0 | 0 | 112.7 | S1100 Q1104 | S1100-S1102 VanDerWaalsContact C-N 3.3Å; S1100-S1102 PolarHBondContact O-N 3.04Å; S1102-Q1104 PolarHBondContact O-N 3.35Å | ||
| 1103 | K | 34.8 | Very low | 47.4 | Very low | 185 Ų | 185 | 114.5 Ų | 114.5 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | trans | -88.1 | 103.8 | 166.8 | -79.3 | -170.6 | 177.9 | -179.6 | 0 | 109.1 | S1101 V1105 | S1101-K1103 PolarHBondContact O-N 3.49Å; K1103-V1105 PolarHBondContact O-N 2.86Å | ||
| 1104 | Q | 29 | Very low | 45.6 | Very low | 171 Ų | 171 | 121.4 Ų | 121.4 | 80% | 0.799 | 62% | 0.621 | S | S | * | * | trans | -33.8 | 113.4 | 161 | -67.8 | 170.5 | -44.1 | 0 | 0 | 111.5 | S1102 | S1102-Q1104 PolarHBondContact O-N 3.35Š| ||
| 1105 | V | 31.3 | Very low | 43.6 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 66% | 0.655 | 65% | 0.647 | S | S | * | * | trans | -112.6 | 81.2 | 158 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | K1103 S1107 | K1103-V1105 PolarHBondContact O-N 2.86Å; V1105-S1107 WeakPolarHBondContact CG1-OG 3.38Å; V1105-S1107 PolarHBondContact O-N 3.06Å | ||
| 1106 | E | 29.1 | Very low | 41.1 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -70.4 | 2.9 | 168.3 | -99.1 | -179.9 | 167.3 | 0 | 0 | 112.7 | ||||
| 1107 | S | 28.4 | Very low | 38.5 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -98.5 | 18.6 | -167.4 | 64.6 | 0 | 0 | 0 | 0 | 116.5 | V1105 | V1105-S1107 WeakPolarHBondContact CG1-OG 3.38Å; V1105-S1107 PolarHBondContact O-N 3.06Å | ||
| 1108 | S | 28.9 | Very low | 36.1 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | trans | -135.7 | 52.7 | 172.9 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | K1110 | S1108-K1110 PolarHBondContact O-N 3.31Å; S1108-K1110 VanDerWaalsContact O-N 3.16Å | ||
| 1109 | L | 29 | Very low | 33.6 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 25.2 | 175 | -89.4 | 166.8 | 0 | 0 | 0 | 115.1 | ||
| 1110 | K | 31.2 | Very low | 31.6 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 9.3 | -177.1 | -76.6 | -169.1 | 177.9 | 179.7 | 0 | 117.9 | S1108 | S1108-K1110 PolarHBondContact O-N 3.31Å; S1108-K1110 VanDerWaalsContact O-N 3.16Å |
| 1111 | L | 28.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 150 Ų | 150 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -140 | 49.2 | 177.1 | -148.7 | 77.3 | 0 | 0 | 0 | 114.7 | ||
| 1112 | K | 29.1 | Very low | 29.6 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | -123.9 | 23.5 | 175.2 | -85.4 | -163.2 | 175.5 | -171.3 | 0 | 115.5 | F1114 | K1112-F1114 VanDerWaalsContact C-N 3.29Å; K1112-F1114 PolarHBondContact O-N 3.12Å | ||
| 1113 | K | 30.4 | Very low | 30 | Very low | 201 Ų | 201 | 155.2 Ų | 155.2 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -81.6 | 0.8 | 170.9 | -103.8 | -175.5 | 177.3 | -176.6 | 0 | 115 | ||
| 1114 | F | 29.6 | Very low | 30.6 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -131 | 10.1 | -178.2 | -78.5 | -76.1 | 0 | 0 | 0 | 116.5 | K1112 | K1112-F1114 VanDerWaalsContact C-N 3.29Å; K1112-F1114 PolarHBondContact O-N 3.12Å |
| 1115 | L | 28.4 | Very low | 32.3 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 62% | 0.618 | 74% | 0.735 | S | S | * | * | trans | -142.4 | 90.1 | 166 | -86.5 | 106.8 | 0 | 0 | 0 | 109.6 | I1117 | L1115-I1117 HydrophobicContact CB-CG1 4.33Å; L1115-I1117 HydrophobicContact CD2-CD1 3.45Å; L1115-I1117 VanDerWaalsContact CD2-CD1 3.45Å; L1115-I1117 HydrophobicContact CD2-CG1 3.84Å; L1115-I1117 PolarHBondContact O-N 3.25Å | ||
| 1116 | H | 25.2 | Very low | 34.4 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 89% | 0.894 | 72% | 0.715 | S | S | * | * | trans | -70.9 | 75.7 | 155.4 | -84 | -23.9 | 0 | 0 | 0 | 107.7 | S1118 | H1116-S1118 PolarHBondContact O-N 3.12Š| ||
| 1117 | I | 29.3 | Very low | 36.8 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 67% | 0.667 | 69% | 0.688 | S | S | * | * | trans | -81.3 | 114 | 160.3 | -68.5 | 172.3 | 0 | 0 | 0 | 105.9 | L1115 | L1115-I1117 HydrophobicContact CB-CG1 4.33Å; L1115-I1117 HydrophobicContact CD2-CD1 3.45Å; L1115-I1117 VanDerWaalsContact CD2-CD1 3.45Å; L1115-I1117 HydrophobicContact CD2-CG1 3.84Å; L1115-I1117 PolarHBondContact O-N 3.25Å | ||
| 1118 | S | 26.4 | Very low | 39.5 | Very low | 51 Ų | 51 | 136.6 Ų | 136.6 | 36% | 0.357 | 67% | 0.665 | S | S | . | * | trans | -42.6 | 154.8 | 175.6 | -50.5 | 0 | 0 | 0 | 0 | 113.6 | E396 H1116 C1120 | E396-S1118 WeakPolarHBondContact OE1-CB 3.48Å; E396-S1118 PolarHBondContact OE1-OG 3.27Å; H1116-S1118 PolarHBondContact O-N 3.12Å; S1118-C1120 PolarHBondContact O-N 2.99Å | ||
| 1119 | K | 25.2 | Very low | 42.4 | Very low | 202 Ų | 202 | 132 Ų | 132 | 88% | 0.878 | 63% | 0.633 | S | S | * | * | trans | -63.8 | 76.3 | 175.1 | -69.6 | 170.2 | 177 | 168.1 | 0 | 109.8 | K1121 | K1119-K1121 PolarHBondContact O-N 3.33Š| ||
| 1120 | C | 29.7 | Very low | 45.3 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 72% | 0.723 | 60% | 0.597 | S | S | * | * | trans | -55 | 112.1 | 164.6 | -81.7 | 0 | 0 | 0 | 0 | 107.3 | S1118 K1122 | S1118-C1120 PolarHBondContact O-N 2.99Å; C1120-K1122 PolarHBondContact O-N 2.92Å | ||
| 1121 | K | 29.1 | Very low | 48.2 | Very low | 187 Ų | 187 | 116.2 Ų | 116.2 | 81% | 0.813 | 56% | 0.557 | S | S | * | * | trans | -43.5 | 126.9 | 163.5 | -77.9 | 175 | 177.2 | 168.5 | 0 | 106.5 | K1119 K1123 | K1119-K1121 PolarHBondContact O-N 3.33Å; K1121-K1123 PolarHBondContact O-N 3.36Å | ||
| 1122 | K | 33 | Very low | 51.1 | Low | 208 Ų | 208 | 109.2 Ų | 109.2 | 90% | 0.904 | 52% | 0.52 | S | S | * | . | trans | -53.4 | 88.1 | 179.7 | -69.9 | 173.5 | 176.1 | 176 | 0 | 109 | C1120 E1124 | C1120-K1122 PolarHBondContact O-N 2.92Å; K1122-E1124 PolarHBondContact O-N 3.1Å | ||
| 1123 | K | 44.2 | Very low | 53.9 | Low | 123 Ų | 123 | 101 Ų | 101 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | trans | -67.1 | 128.8 | 169.4 | -98.5 | -178.3 | 176.6 | 176 | 0 | 107.2 | E593 K1121 N1125 | E593-K1123 VanDerWaalsContact CG-NZ 3.28Å; E593-K1123 VanDerWaalsContact O-CE 3.32Å; E593-K1123 WeakPolarHBondContact O-CE 3.46Å; E593-K1123 PolarHBondContact O-NZ 3.37Å; E593-K1123 IonicContact OE2-NZ 3.42Å; E593-K1123 PolarHBondContact OE2-NZ 3.38Å; K1121-K1123 PolarHBondContact O-N 3.36Å; K1123-N1125 PolarHBondContact O-N 2.81Å | ||
| 1124 | E | 48.6 | Very low | 56.6 | Low | 152 Ų | 152 | 94.4 Ų | 94.4 | 71% | 0.71 | 45% | 0.454 | S | S | * | . | trans | -47.7 | 125.9 | 177.2 | -64.1 | 173.5 | 164.1 | 0 | 0 | 108.4 | K1122 L1126 | K1122-E1124 PolarHBondContact O-N 3.1Å; E1124-L1126 VanDerWaalsContact C-N 3.26Å; E1124-L1126 HydrophobicContact CB-CD1 3.93Å; E1124-L1126 HydrophobicContact CB-CG 3.9Å; E1124-L1126 PolarHBondContact O-N 3.42Å | ||
| 1125 | N | 64.7 | Low | 59.1 | Low | 67 Ų | 67 | 85.5 Ų | 85.5 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | trans | -50.7 | 84.6 | 168.9 | -87.5 | 0.2 | 0 | 0 | 0 | 110.9 | Q1097 I1098 R1099 S1100 K1123 | Q1097-N1125 CarbonylContact C-O 3.59Å; Q1097-N1125 VanDerWaalsContact CA-O 3.31Å; Q1097-N1125 WeakPolarHBondContact CA-O 3.4Å; I1098-N1125 HydrophobicContact CB-CB 3.73Å; I1098-N1125 PolarHBondContact N-O 3.21Å; I1098-N1125 WeakPolarHBondContact O-CB 3.46Å; I1098-N1125 VanDerWaalsContact O-CG 3.29Å; I1098-N1125 PolarHBondContact O-ND2 3.27Å; R1099-N1125 VanDerWaalsContact C-ND2 3.29Å; S1100-N1125 VanDerWaalsContact CA-ND2 3.3Å; S1100-N1125 WeakPolarHBondContact CA-ND2 3.38Å; S1100-N1125 WeakPolarHBondContact CB-ND2 3.49Å; S1100-N1125 PolarHBondContact N-ND2 3.47Å; K1123-N1125 PolarHBondContact O-N 2.81Å | ||
| 1126 | L | 74.2 | Confident | 61.2 | Low | 48 Ų | 48 | 89.3 Ų | 89.3 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143 | -176.7 | -63.4 | 172.2 | 0 | 0 | 0 | 110.7 | P597 V1095 L1096 Q1097 E1124 | P597-L1126 HydrophobicContact CG-CB 4.37Å; V1095-L1126 HydrophobicContact CG1-CB 4.18Å; V1095-L1126 HydrophobicContact CG1-CD2 4.05Å; V1095-L1126 HydrophobicContact CG1-CG 4.48Å; L1096-L1126 CarbonylContact O-C 3.57Å; L1096-L1126 VanDerWaalsContact O-CA 3.29Å; L1096-L1126 WeakPolarHBondContact O-CA 3.41Å; Q1097-L1126 HydrophobicContact CB-CD2 4.49Å; Q1097-L1126 HydrophobicContact CG-CD2 3.6Å; E1124-L1126 VanDerWaalsContact C-N 3.26Å; E1124-L1126 HydrophobicContact CB-CD1 3.93Å; E1124-L1126 HydrophobicContact CB-CG 3.9Å; E1124-L1126 PolarHBondContact O-N 3.42Å |
| 1127 | T | 80.7 | Confident | 63.6 | Low | 28 Ų | 28 | 83.4 Ų | 83.4 | 17% | 0.172 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158 | 171.8 | -170.3 | 0 | 0 | 0 | 0 | 109.8 | L885 L1096 I1098 | L885-T1127 HydrophobicContact CD1-CG2 3.9Å; L885-T1127 HydrophobicContact CD2-CG2 4.37Å; L1096-T1127 HydrophobicContact CB-CG2 3.67Å; L1096-T1127 WeakPolarHBondContact CB-O 3.48Å; L1096-T1127 HydrophobicContact CD1-CG2 4.1Å; L1096-T1127 HydrophobicContact CG-CG2 4.45Å; L1096-T1127 PolarHBondContact N-O 3.22Å; L1096-T1127 PolarHBondContact O-N 2.9Å; I1098-T1127 HydrophobicContact CD1-CG2 4.44Å; I1098-T1127 HydrophobicContact CG1-CG2 4.22Å |
| 1128 | V | 85 | Confident | 66 | Low | 45 Ų | 45 | 78.9 Ų | 78.9 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | trans | -111.4 | 140.9 | -177.1 | -68.7 | 0 | 0 | 0 | 0 | 110.9 | P597 V1095 | P597-V1128 HydrophobicContact CB-CG1 3.83Å; P597-V1128 HydrophobicContact CG-CG1 4.35Å; P597-V1128 WeakPolarHBondContact O-CG1 3.34Å; V1095-V1128 HydrophobicContact CG2-CG1 4.39Å | ||
| 1129 | P | 89 | Confident | 68.9 | Low | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | trans | -73.9 | 166.8 | 174.9 | 32.7 | -35.1 | 0 | 0 | 0 | 111.1 | A599 V849 V850 C1094 L1096 | A599-P1129 WeakPolarHBondContact CB-O 3.31Å; V849-P1129 HydrophobicContact CG1-CB 3.59Å; V849-P1129 HydrophobicContact CG1-CG 3.66Å; V850-P1129 CarbonylContact O-C 3.54Å; V850-P1129 VanDerWaalsContact O-CA 3.28Å; V850-P1129 WeakPolarHBondContact O-CA 3.41Å; V850-P1129 WeakPolarHBondContact O-CB 3.5Å; C1094-P1129 HydrophobicContact CB-CG 3.98Å; C1094-P1129 VanDerWaalsContact O-CD 3.23Å; C1094-P1129 WeakPolarHBondContact O-CD 3.32Å; C1094-P1129 WeakPolarHBondContact O-CG 3.35Å; C1094-P1129 VanDerWaalsContact SG-CG 3.58Å; L1096-P1129 HydrophobicContact CD1-CB 4.36Å | ||
| 1130 | R | 90.5 | Very high | 71.7 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 142.2 | 164.7 | -63 | -67 | -173.7 | 175.3 | -4.3 | 109.4 | T601 T602 V850 E852 N879 F1132 | T601-R1130 PolarHBondContact O-NH1 3.49Å; T601-R1130 PolarHBondContact OG1-NH1 2.78Å; T602-R1130 VanDerWaalsContact C-NH1 3.27Å; T602-R1130 PolarHBondContact O-NH1 2.92Å; V850-R1130 HydrophobicContact CG2-CB 3.8Å; V850-R1130 PolarHBondContact N-O 3.33Å; V850-R1130 PolarHBondContact O-N 3.21Å; E852-R1130 HydrophobicContact CB-CG 4.32Å; E852-R1130 IonicContact OE1-NE 3.16Å; E852-R1130 PolarHBondContact OE1-NE 3.41Å; E852-R1130 IonicContact OE1-NH2 2.79Å; N879-R1130 PolarHBondContact ND2-NH2 3.4Å; R1130-F1132 HydrophobicContact CB-CD2 4.37Å; R1130-F1132 HydrophobicContact CB-CE2 3.59Å; R1130-F1132 HydrophobicContact CB-CZ 4.12Å |
| 1131 | I | 91.3 | Very high | 74.6 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.9 | 177.7 | -50.4 | 173.5 | 0 | 0 | 0 | 108.1 | A599 C625 M627 L847 Q848 V849 | A599-I1131 HydrophobicContact CB-CD1 3.81Å; A599-I1131 HydrophobicContact CB-CG1 4.15Å; C625-I1131 HydrophobicContact CB-CB 4.42Å; C625-I1131 HydrophobicContact CB-CG2 4.03Å; C625-I1131 PolarHBondContact N-O 3Å; C625-I1131 WeakPolarHBondContact O-CB 3.46Å; M627-I1131 HydrophobicContact CB-CD1 3.52Å; M627-I1131 HydrophobicContact SD-CD1 4.45Å; L847-I1131 HydrophobicContact CD1-CG2 4Å; L847-I1131 HydrophobicContact CD2-CG2 3.82Å; L847-I1131 HydrophobicContact CG-CG2 3.73Å; Q848-I1131 WeakPolarHBondContact O-CA 3.46Å; V849-I1131 HydrophobicContact CG2-CG1 4.44Å |
| 1132 | F | 90.2 | Very high | 77.4 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.9 | 177.1 | -62.6 | -84.2 | 0 | 0 | 0 | 109.9 | P603 D622 K623 L847 Q848 V850 R1130 | P603-F1132 HydrophobicContact CG-CE1 3.75Å; P603-F1132 HydrophobicContact CG-CZ 3.67Å; D622-F1132 HydrophobicContact CB-CB 4.41Å; D622-F1132 HydrophobicContact CB-CD1 4.14Å; D622-F1132 HydrophobicContact CB-CG 4.44Å; K623-F1132 CarbonylContact O-C 3.44Å; K623-F1132 WeakPolarHBondContact O-CA 3.45Å; L847-F1132 WeakPolarHBondContact CA-O 3.14Å; Q848-F1132 PolarHBondContact N-O 3.36Å; Q848-F1132 PolarHBondContact O-N 3Å; V850-F1132 HydrophobicContact CG2-CD2 4.12Å; V850-F1132 HydrophobicContact CG2-CE2 3.8Å; R1130-F1132 HydrophobicContact CB-CD2 4.37Å; R1130-F1132 HydrophobicContact CB-CE2 3.59Å; R1130-F1132 HydrophobicContact CB-CZ 4.12Å |
| 1133 | M | 87.9 | Confident | 80.2 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 102.5 | 165.6 | -73.7 | -66.5 | -79.2 | 0 | 0 | 107.4 | A563 K623 C625 H842 A845 L847 F1135 | A563-M1133 HydrophobicContact CB-CG 4.26Å; K623-M1133 HydrophobicContact CB-CB 4.35Å; K623-M1133 PolarHBondContact N-O 2.7Å; K623-M1133 PolarHBondContact O-N 2.77Å; C625-M1133 HydrophobicContact CB-CG 3.83Å; H842-M1133 HydrophobicContact CB-CE 3.37Å; A845-M1133 HydrophobicContact CB-CB 4.33Å; A845-M1133 HydrophobicContact CB-CE 3.63Å; L847-M1133 HydrophobicContact CB-SD 4.05Å; L847-M1133 HydrophobicContact CD1-SD 3.97Å; L847-M1133 HydrophobicContact CG-SD 4.3Å; M1133-F1135 HydrophobicContact CB-CE2 4.08Å; M1133-F1135 WeakPolarHBondContact O-CD2 3.43Å |
| 1134 | R | 85.6 | Confident | 82.5 | Confident | 63 Ų | 63 | 42 Ų | 42 | 24% | 0.238 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 108.3 | -179.2 | -176.3 | 165.3 | -175.2 | 162.1 | -5.9 | 110.3 | D622 A845 K846 D1034 | D622-R1134 WeakPolarHBondContact OD1-CB 3.4Å; D622-R1134 WeakPolarHBondContact OD1-CD 3.45Å; D622-R1134 WeakPolarHBondContact OD1-CG 3.38Å; D622-R1134 IonicContact OD1-NE 3.58Å; A845-R1134 CarbonylContact C-O 3.58Å; A845-R1134 VanDerWaalsContact CA-O 3.28Å; A845-R1134 WeakPolarHBondContact CA-O 3.23Å; K846-R1134 PolarHBondContact N-O 3.19Å; K846-R1134 PolarHBondContact O-N 3.36Å; D1034-R1134 IonicContact OD1-NH2 2.83Å; D1034-R1134 PolarHBondContact OD1-NH2 2.67Å |
| 1135 | F | 82.3 | Confident | 84.7 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 136.9 | 178.1 | -72.1 | -100.3 | 0 | 0 | 0 | 110.5 | L565 D621 K623 E844 A845 M1133 C1200 | L565-F1135 HydrophobicContact CD2-CE2 4.46Å; L565-F1135 HydrophobicContact CD2-CZ 4.09Å; D621-F1135 PolarHBondContact O-N 3.44Å; K623-F1135 HydrophobicContact CB-CD2 4.49Å; K623-F1135 HydrophobicContact CB-CE2 4.04Å; K623-F1135 HydrophobicContact CG-CD2 3.79Å; K623-F1135 HydrophobicContact CG-CE2 3.53Å; E844-F1135 HydrophobicContact CG-CD1 4.09Å; E844-F1135 HydrophobicContact CG-CE1 3.88Å; E844-F1135 WeakPolarHBondContact OE1-CE1 3.33Å; A845-F1135 HydrophobicContact CB-CD1 3.95Å; A845-F1135 HydrophobicContact CB-CD2 4.05Å; A845-F1135 HydrophobicContact CB-CE1 3.98Å; A845-F1135 HydrophobicContact CB-CE2 4.05Å; A845-F1135 HydrophobicContact CB-CG 4Å; A845-F1135 HydrophobicContact CB-CZ 4.02Å; M1133-F1135 HydrophobicContact CB-CE2 4.08Å; M1133-F1135 WeakPolarHBondContact O-CD2 3.43Å; F1135-C1200 HydrophobicContact CB-CB 3.66Å; F1135-C1200 HydrophobicContact CD1-CB 3.77Å; F1135-C1200 HydrophobicContact CD2-CB 3.93Å; F1135-C1200 HydrophobicContact CE1-CB 4.4Å; F1135-C1200 HydrophobicContact CG-CB 3.49Å; F1135-C1200 VanDerWaalsContact CG-CB 3.49Å |
| 1136 | R | 73.3 | Confident | 86.1 | Confident | 197 Ų | 197 | 31.9 Ų | 31.9 | 74% | 0.743 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -79.9 | -28.1 | 178.8 | -63.1 | -177.6 | -173.2 | 171.2 | 6.5 | 112.6 | E844 | E844-R1136 PolarHBondContact O-N 3.1Š|
| 1137 | T | 75.5 | Confident | 87 | Confident | 69 Ų | 69 | 29.6 Ų | 29.6 | 42% | 0.423 | 14% | 0.14 | S | C | . | . | trans | -128.4 | 143.7 | -176.4 | 55.5 | 0 | 0 | 0 | 0 | 110 | H1139 | T1137-H1139 PolarHBondContact OG1-NE2 2.78Š| ||
| 1138 | S | 80 | Confident | 87.6 | Confident | 36 Ų | 36 | 29.6 Ų | 29.6 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.4 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 107.4 | E1198 | S1138-E1198 VanDerWaalsContact CB-OE1 3.31Å; S1138-E1198 WeakPolarHBondContact CB-OE1 3.5Å; S1138-E1198 WeakPolarHBondContact OG-CG 3.45Å; S1138-E1198 PolarHBondContact OG-OE1 3.2Å |
| 1139 | H | 86.5 | Confident | 87.8 | Confident | 27 Ų | 27 | 27.7 Ų | 27.7 | 13% | 0.125 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 141.7 | -170.2 | -67.3 | -82.5 | 0 | 0 | 0 | 110 | T1137 E1198 M1199 G1201 P1203 L1273 D1275 | T1137-H1139 PolarHBondContact OG1-NE2 2.78Å; H1139-E1198 WeakPolarHBondContact O-CA 3.14Å; H1139-M1199 PolarHBondContact N-O 2.96Å; H1139-M1199 PolarHBondContact O-N 3.09Å; H1139-G1201 PolarHBondContact CD2-O 3.45Å; H1139-P1203 HydrophobicContact CB-CG 4.42Å; H1139-L1273 HydrophobicContact CB-CD1 3.82Å; H1139-D1275 WeakPolarHBondContact CA-OD1 3.32Å; H1139-D1275 IonicContact CE1-OD2 2.78Å; H1139-D1275 PolarHBondContact CE1-OD2 3.37Å; H1139-D1275 IonicContact CG-OD1 3Å; H1139-D1275 IonicContact CG-OD2 3.35Å; H1139-D1275 VanDerWaalsContact ND1-CG 3.35Å; H1139-D1275 IonicContact ND1-OD1 2.66Å; H1139-D1275 PolarHBondContact ND1-OD1 2.98Å; H1139-D1275 IonicContact ND1-OD2 3.51Å; H1139-D1275 PolarHBondContact ND1-OD2 2.92Å |
| 1140 | I | 85 | Confident | 87.9 | Confident | 55 Ų | 55 | 27.7 Ų | 27.7 | 28% | 0.282 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.5 | -178 | -59.6 | 177.7 | 0 | 0 | 0 | 109.1 | L1274 D1275 | I1140-L1274 HydrophobicContact CG2-CB 4.44Å; I1140-L1274 WeakPolarHBondContact O-CB 2.86Å; I1140-L1274 PolarHBondContact O-N 3.03Å; I1140-D1275 PolarHBondContact N-OD1 2.92Å |
| 1141 | W | 89.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 160.7 | -178.4 | -61.1 | 82 | 0 | 0 | 0 | 112.2 | I1197 M1199 P1203 I1206 V1238 L1240 L1271 I1272 L1273 | W1141-I1197 WeakPolarHBondContact CA-O 3.13Å; W1141-I1197 HydrophobicContact CB-CB 4.18Å; W1141-I1197 WeakPolarHBondContact CB-O 3.46Å; W1141-I1197 PolarHBondContact N-O 3.16Å; W1141-I1197 PolarHBondContact O-N 3.11Å; W1141-M1199 HydrophobicContact CB-CE 3.97Å; W1141-M1199 HydrophobicContact CD2-CE 3.77Å; W1141-M1199 HydrophobicContact CG-CE 3.41Å; W1141-M1199 VanDerWaalsContact CG-CE 3.41Å; W1141-P1203 HydrophobicContact CH2-CB 4Å; W1141-P1203 HydrophobicContact CZ2-CB 3.78Å; W1141-P1203 HydrophobicContact CZ2-CG 4.37Å; W1141-I1206 HydrophobicContact CH2-CB 4.02Å; W1141-I1206 HydrophobicContact CH2-CG2 3.76Å; W1141-I1206 HydrophobicContact CZ2-CB 3.81Å; W1141-I1206 HydrophobicContact CZ2-CG1 4.05Å; W1141-I1206 HydrophobicContact CZ2-CG2 3.76Å; W1141-I1206 HydrophobicContact CZ3-CG2 4.35Å; W1141-V1238 HydrophobicContact CH2-CG1 3.82Å; W1141-V1238 HydrophobicContact CZ3-CG1 3.56Å; W1141-L1240 HydrophobicContact CH2-CD2 3.77Å; W1141-L1240 HydrophobicContact CZ3-CD2 4.34Å; W1141-L1271 HydrophobicContact CB-CD1 3.91Å; W1141-L1271 HydrophobicContact CD2-CG 4.32Å; W1141-L1271 HydrophobicContact CE3-CD1 4.22Å; W1141-L1271 HydrophobicContact CE3-CD2 4.1Å; W1141-L1271 HydrophobicContact CE3-CG 3.66Å; W1141-L1271 HydrophobicContact CG-CD1 4.48Å; W1141-L1271 HydrophobicContact CZ3-CD2 4.37Å; W1141-L1271 HydrophobicContact CZ3-CG 4.18Å; W1141-I1272 CarbonylContact C-O 3.59Å; W1141-I1272 VanDerWaalsContact CA-O 3.3Å; W1141-I1272 WeakPolarHBondContact CA-O 2.99Å; W1141-L1273 HydrophobicContact CD2-CB 4.45Å; W1141-L1273 HydrophobicContact CD2-CD1 3.99Å; W1141-L1273 HydrophobicContact CE3-CB 3.97Å; W1141-L1273 HydrophobicContact CE3-CD1 4.34Å; W1141-L1273 HydrophobicContact CH2-CB 4.17Å; W1141-L1273 HydrophobicContact CH2-CD1 4.26Å; W1141-L1273 HydrophobicContact CZ2-CD1 3.86Å; W1141-L1273 HydrophobicContact CZ3-CB 3.8Å; W1141-L1273 HydrophobicContact CZ3-CD1 4.46Å |
| 1142 | H | 88.8 | Confident | 87 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 117.1 | 178 | -175.4 | 87.2 | 0 | 0 | 0 | 108.8 | R1144 I1193 I1272 L1274 | H1142-R1144 PolarHBondContact NE2-NE 3.35Å; H1142-R1144 VanDerWaalsContact NE2-NE 3.17Å; H1142-I1193 WeakPolarHBondContact CE1-CG2 3.4Å; H1142-I1272 HydrophobicContact CB-CB 4.46Å; H1142-I1272 PolarHBondContact N-O 2.79Å; H1142-I1272 PolarHBondContact O-N 3.06Å; H1142-L1274 HydrophobicContact CB-CD1 3.76Å; H1142-L1274 HydrophobicContact CB-CD2 4.08Å; H1142-L1274 HydrophobicContact CB-CG 3.86Å |
| 1143 | L | 92.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.9 | 177.6 | 168.9 | 73.6 | 0 | 0 | 0 | 109.3 | F1170 F1194 I1197 V1213 P1236 F1269 E1270 L1271 | L1143-F1170 HydrophobicContact CB-CD1 4.46Å; L1143-F1170 HydrophobicContact CD2-CB 3.59Å; L1143-F1170 HydrophobicContact CD2-CD1 3.61Å; L1143-F1170 HydrophobicContact CD2-CD2 3.98Å; L1143-F1170 HydrophobicContact CD2-CE1 4.2Å; L1143-F1170 HydrophobicContact CD2-CG 3.46Å; L1143-F1170 VanDerWaalsContact CD2-CG 3.46Å; L1143-F1194 HydrophobicContact CB-CB 4.07Å; L1143-F1194 HydrophobicContact CB-CD2 4.41Å; L1143-F1194 HydrophobicContact CD2-CD2 3.86Å; L1143-F1194 HydrophobicContact CD2-CE2 4.27Å; L1143-F1194 HydrophobicContact CD2-CG 4.25Å; L1143-F1194 HydrophobicContact CG-CD2 4.11Å; L1143-F1194 PolarHBondContact N-O 2.78Å; L1143-F1194 VanDerWaalsContact N-O 3.09Å; L1143-F1194 PolarHBondContact O-N 3.06Å; L1143-I1197 HydrophobicContact CB-CD1 3.63Å; L1143-V1213 HydrophobicContact CD1-CG2 4.17Å; L1143-V1213 HydrophobicContact CD2-CG2 3.92Å; L1143-P1236 HydrophobicContact CD1-CB 4.09Å; L1143-F1269 HydrophobicContact CD1-CB 4.47Å; L1143-E1270 CarbonylContact C-O 3.55Å; L1143-E1270 VanDerWaalsContact CA-O 3.26Å; L1143-E1270 WeakPolarHBondContact CA-O 3.47Å; L1143-E1270 VanDerWaalsContact CD1-O 3.32Å; L1143-E1270 WeakPolarHBondContact CD1-O 3.4Å; L1143-L1271 HydrophobicContact CB-CD1 3.94Å; L1143-L1271 HydrophobicContact CD1-CB 4.42Å |
| 1144 | R | 92.2 | Very high | 86.5 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 6% | 0.057 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.9 | 166.1 | -52.5 | -168.2 | -178.3 | 170.2 | -18.2 | 109.7 | H1142 Y1146 T1191 L1192 F1269 E1270 P1280 P1281 | H1142-R1144 PolarHBondContact NE2-NE 3.35Å; H1142-R1144 VanDerWaalsContact NE2-NE 3.17Å; R1144-Y1146 HydrophobicContact CB-CE1 4.25Å; R1144-Y1146 HydrophobicContact CB-CE2 4.31Å; R1144-T1191 HydrophobicContact CB-CG2 4.08Å; R1144-L1192 WeakPolarHBondContact CA-O 3.31Å; R1144-F1269 WeakPolarHBondContact O-CA 3.36Å; R1144-E1270 HydrophobicContact CB-CG 3.72Å; R1144-E1270 VanDerWaalsContact CD-OE1 3.24Å; R1144-E1270 WeakPolarHBondContact CD-OE1 3.32Å; R1144-E1270 HydrophobicContact CG-CG 4.23Å; R1144-E1270 PolarHBondContact N-O 2.62Å; R1144-E1270 IonicContact NE-OE1 2.69Å; R1144-E1270 IonicContact NH1-OE1 3.29Å; R1144-E1270 PolarHBondContact O-N 3.08Å; R1144-P1280 PolarHBondContact NH2-O 3.11Å; R1144-P1281 PolarHBondContact NH2-O 3.28Å |
| 1145 | A | 94.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 110 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I1147 T1191 L1192 F1194 F1269 | A1145-I1147 HydrophobicContact CB-CD1 4.33Å; A1145-I1147 PolarHBondContact O-N 3.26Å; A1145-T1191 CarbonylContact O-C 3.01Å; A1145-T1191 WeakPolarHBondContact O-CA 3.44Å; A1145-L1192 HydrophobicContact CB-CB 4.24Å; A1145-L1192 PolarHBondContact N-O 2.95Å; A1145-L1192 PolarHBondContact O-N 3.08Å; A1145-F1194 HydrophobicContact CB-CE2 4.46Å; A1145-F1269 HydrophobicContact CB-CD1 3.49Å; A1145-F1269 VanDerWaalsContact CB-CD1 3.49Å; A1145-F1269 HydrophobicContact CB-CE1 3.47Å; A1145-F1269 VanDerWaalsContact CB-CE1 3.47Å |
| 1146 | Y | 93.7 | Very high | 86 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 95.9 | 177.7 | -55.1 | -66.7 | 0 | 0 | 0 | 109 | R1144 T1191 A1267 A1268 E1270 V1292 P1293 I1296 | R1144-Y1146 HydrophobicContact CB-CE1 4.25Å; R1144-Y1146 HydrophobicContact CB-CE2 4.31Å; Y1146-T1191 HydrophobicContact CD1-CG2 3.66Å; Y1146-T1191 WeakPolarHBondContact CD1-OG1 3.32Å; Y1146-T1191 HydrophobicContact CE1-CG2 3.62Å; Y1146-A1267 CarbonylContact O-C 3.47Å; Y1146-A1267 WeakPolarHBondContact O-CA 3.46Å; Y1146-A1267 WeakPolarHBondContact O-CB 3.08Å; Y1146-A1268 WeakPolarHBondContact CB-O 3.41Å; Y1146-A1268 HydrophobicContact CD2-CB 4.02Å; Y1146-A1268 WeakPolarHBondContact CD2-O 3.31Å; Y1146-A1268 PolarHBondContact N-O 3.04Å; Y1146-A1268 PolarHBondContact O-N 2.57Å; Y1146-E1270 HydrophobicContact CE2-CB 4.5Å; Y1146-E1270 HydrophobicContact CE2-CG 3.71Å; Y1146-E1270 PolarHBondContact OH-OE1 2.79Å; Y1146-E1270 PolarHBondContact OH-OE2 2.9Å; Y1146-V1292 HydrophobicContact CD1-CG1 4.35Å; Y1146-P1293 HydrophobicContact CD1-CG 4.49Å; Y1146-P1293 VanDerWaalsContact CE1-CD 3.44Å; Y1146-P1293 HydrophobicContact CE1-CG 3.8Å; Y1146-I1296 HydrophobicContact CD1-CD1 4.26Å; Y1146-I1296 HydrophobicContact CD2-CD1 3.94Å; Y1146-I1296 HydrophobicContact CE1-CD1 3.98Å; Y1146-I1296 HydrophobicContact CE2-CD1 3.62Å; Y1146-I1296 HydrophobicContact CG-CD1 4.23Å |
| 1147 | I | 94.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 103 | -178.8 | -52.2 | -56.3 | 0 | 0 | 0 | 108.5 | A1145 V1166 T1177 W1188 D1189 E1190 L1192 I1215 I1265 A1267 F1269 | A1145-I1147 HydrophobicContact CB-CD1 4.33Å; A1145-I1147 PolarHBondContact O-N 3.26Å; I1147-V1166 HydrophobicContact CG2-CB 4.5Å; I1147-V1166 HydrophobicContact CG2-CG2 4.27Å; I1147-T1177 HydrophobicContact CB-CG2 4.11Å; I1147-T1177 HydrophobicContact CG1-CG2 4.25Å; I1147-T1177 HydrophobicContact CG2-CG2 3.97Å; I1147-W1188 HydrophobicContact CG2-CD2 4.23Å; I1147-W1188 HydrophobicContact CG2-CE3 3.74Å; I1147-W1188 HydrophobicContact CG2-CZ3 4.29Å; I1147-D1189 PolarHBondContact O-N 2.86Å; I1147-E1190 PolarHBondContact N-O 3.04Å; I1147-E1190 PolarHBondContact O-N 3.16Å; I1147-L1192 HydrophobicContact CG1-CD1 4.35Å; I1147-I1215 HydrophobicContact CD1-CD1 4.46Å; I1147-I1265 HydrophobicContact CG2-CD1 4.1Å; I1147-A1267 HydrophobicContact CD1-CB 3.99Å; I1147-F1269 HydrophobicContact CD1-CE1 3.93Å; I1147-F1269 HydrophobicContact CD1-CZ 3.74Å |
| 1148 | F | 91.8 | Very high | 85.9 | Confident | 28 Ų | 28 | 28.2 Ų | 28.2 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -63.9 | -172.3 | -168.6 | -111 | 0 | 0 | 0 | 112 | W1188 D1189 L1250 L1266 V1292 R1297 P1298 | F1148-W1188 PolarHBondContact O-N 2.82Å; F1148-D1189 HydrophobicContact CD2-CB 4.18Å; F1148-D1189 HydrophobicContact CE2-CB 4.17Å; F1148-D1189 PolarHBondContact O-N 2.95Å; F1148-L1250 HydrophobicContact CB-CD1 3.9Å; F1148-L1250 HydrophobicContact CB-CD2 4.09Å; F1148-L1250 HydrophobicContact CD1-CD1 4.03Å; F1148-L1250 HydrophobicContact CD2-CD1 4.36Å; F1148-L1250 HydrophobicContact CG-CD1 3.84Å; F1148-L1266 WeakPolarHBondContact CB-O 3.38Å; F1148-L1266 HydrophobicContact CD1-CD2 3.89Å; F1148-L1266 HydrophobicContact CD1-CG 4.47Å; F1148-L1266 PolarHBondContact N-O 3.41Å; F1148-L1266 VanDerWaalsContact N-O 3.09Å; F1148-V1292 HydrophobicContact CD2-CB 4.44Å; F1148-V1292 HydrophobicContact CD2-CG2 4.23Å; F1148-R1297 HydrophobicContact CE2-CG 4.22Å; F1148-P1298 HydrophobicContact CE1-CG 4.04Å; F1148-P1298 HydrophobicContact CZ-CG 4.35Å |
| 1149 | Q | 90.1 | Very high | 85.3 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 166.3 | -178.6 | 66.9 | -177.5 | -4.4 | 0 | 0 | 112.1 | P1186 I1187 W1252 L1266 | Q1149-P1186 CarbonylContact C-O 3.49Å; Q1149-P1186 WeakPolarHBondContact CA-O 3.18Å; Q1149-P1186 VanDerWaalsContact CB-O 3.29Å; Q1149-P1186 WeakPolarHBondContact CB-O 3.43Å; Q1149-I1187 HydrophobicContact CB-CB 4.35Å; Q1149-I1187 HydrophobicContact CB-CG1 3.94Å; Q1149-I1187 HydrophobicContact CB-CG2 4.45Å; Q1149-W1252 HydrophobicContact CG-CH2 3.71Å; Q1149-W1252 HydrophobicContact CG-CZ2 4.29Å; Q1149-W1252 HydrophobicContact CG-CZ3 4.41Å; Q1149-W1252 VanDerWaalsContact NE2-CZ2 3.32Å; Q1149-L1266 HydrophobicContact CG-CB 3.73Å; Q1149-L1266 HydrophobicContact CG-CD2 3.97Å; Q1149-L1266 HydrophobicContact CG-CG 4.41Å; Q1149-L1266 PolarHBondContact N-O 3.46Å; Q1149-L1266 PolarHBondContact O-N 2.96Å |
| 1150 | A | 90.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 161.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1153 C1185 P1186 W1188 E1264 I1265 | A1150-V1153 HydrophobicContact CB-CG2 3.7Å; A1150-C1185 CarbonylContact O-C 3.53Å; A1150-C1185 VanDerWaalsContact O-CA 3.24Å; A1150-C1185 WeakPolarHBondContact O-CA 3.42Å; A1150-P1186 HydrophobicContact CB-CG 3.92Å; A1150-P1186 PolarHBondContact N-O 3.2Å; A1150-W1188 HydrophobicContact CB-CH2 3.87Å; A1150-W1188 HydrophobicContact CB-CZ3 3.7Å; A1150-E1264 CarbonylContact C-O 3.54Å; A1150-E1264 WeakPolarHBondContact CA-O 3.27Å; A1150-E1264 VanDerWaalsContact CB-O 3.28Å; A1150-E1264 WeakPolarHBondContact CB-O 3.47Å; A1150-I1265 HydrophobicContact CB-CB 4.47Å; A1150-I1265 HydrophobicContact CB-CG1 4.44Å |
| 1151 | R | 84.5 | Confident | 84.2 | Confident | 47 Ų | 47 | 26.1 Ų | 26.1 | 18% | 0.177 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.3 | 176.1 | 69.2 | -176.8 | -179 | -176.5 | 2.4 | 111.4 | V1153 W1252 G1263 E1264 P1371 | R1151-V1153 PolarHBondContact O-N 2.88Å; R1151-W1252 HydrophobicContact CB-CH2 3.97Å; R1151-W1252 HydrophobicContact CB-CZ3 4.13Å; R1151-W1252 HydrophobicContact CG-CE3 4.21Å; R1151-W1252 HydrophobicContact CG-CH2 3.68Å; R1151-W1252 HydrophobicContact CG-CZ2 4.45Å; R1151-W1252 HydrophobicContact CG-CZ3 3.55Å; R1151-G1263 WeakPolarHBondContact O-CA 3.41Å; R1151-E1264 HydrophobicContact CG-CB 4.15Å; R1151-E1264 IonicContact CZ-OE2 3.3Å; R1151-E1264 PolarHBondContact N-O 2.8Å; R1151-E1264 IonicContact NE-OE2 3.73Å; R1151-E1264 PolarHBondContact NE-OE2 2.8Å; R1151-E1264 IonicContact NH2-OE2 3.48Å; R1151-E1264 PolarHBondContact NH2-OE2 2.93Å; R1151-E1264 PolarHBondContact O-N 3.17Å; R1151-P1371 HydrophobicContact CB-CG 3.98Å |
| 1152 | S | 78.7 | Confident | 84.1 | Confident | 55 Ų | 55 | 26 Ų | 26 | 39% | 0.385 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 54.1 | 36.9 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | L1184 G1263 | S1152-L1184 PolarHBondContact N-O 2.64Å; S1152-G1263 WeakPolarHBondContact O-CA 3.41Å |
| 1153 | V | 86.1 | Confident | 84.3 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 147.6 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 109.2 | A1150 R1151 A1155 P1164 L1184 P1186 L1217 L1229 | A1150-V1153 HydrophobicContact CB-CG2 3.7Å; R1151-V1153 PolarHBondContact O-N 2.88Å; V1153-A1155 PolarHBondContact O-N 3.45Å; V1153-P1164 HydrophobicContact CG1-CB 4.45Å; V1153-L1184 VanDerWaalsContact CB-O 3.3Å; V1153-L1184 WeakPolarHBondContact CB-O 3.42Å; V1153-L1184 WeakPolarHBondContact CG2-O 3.46Å; V1153-L1184 PolarHBondContact N-O 3.12Å; V1153-L1184 WeakPolarHBondContact O-CD2 3.31Å; V1153-P1186 HydrophobicContact CG2-CG 4.41Å; V1153-L1217 HydrophobicContact CB-CD2 4.26Å; V1153-L1217 HydrophobicContact CG1-CD2 3.56Å; V1153-L1217 HydrophobicContact CG2-CD2 3.73Å; V1153-L1229 HydrophobicContact CG1-CD1 3.44Å; V1153-L1229 VanDerWaalsContact CG1-CD1 3.44Å |
| 1154 | L | 82.3 | Confident | 84.4 | Confident | 26 Ų | 26 | 26.9 Ų | 26.9 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 126.3 | 174.8 | -70.4 | -169.1 | 0 | 0 | 0 | 111.4 | S1162 L1229 K1257 N1517 | L1154-S1162 PolarHBondContact O-OG 2.85Å; L1154-L1229 HydrophobicContact CB-CB 4.37Å; L1154-L1229 HydrophobicContact CB-CD2 3.98Å; L1154-L1229 WeakPolarHBondContact CD1-O 3.48Å; L1154-L1229 WeakPolarHBondContact O-CD2 3.46Å; L1154-K1257 HydrophobicContact CD1-CB 4.38Å; L1154-K1257 HydrophobicContact CD1-CD 3.59Å; L1154-N1517 VanDerWaalsContact C-ND2 3.27Å; L1154-N1517 WeakPolarHBondContact CA-ND2 3.27Å; L1154-N1517 WeakPolarHBondContact CB-ND2 3.49Å; L1154-N1517 HydrophobicContact CD2-CB 4.25Å |
| 1155 | A | 77 | Confident | 84.6 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -72 | 126.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1153 G1160 L1161 L1184 G1515 N1517 | V1153-A1155 PolarHBondContact O-N 3.45Å; A1155-G1160 WeakPolarHBondContact CB-O 3.23Å; A1155-L1161 WeakPolarHBondContact CA-O 3.38Å; A1155-L1184 HydrophobicContact CB-CD1 4.22Å; A1155-L1184 HydrophobicContact CB-CD2 3.81Å; A1155-G1515 WeakPolarHBondContact CB-O 3.24Å; A1155-N1517 PolarHBondContact N-ND2 2.9Å; A1155-N1517 PolarHBondContact O-ND2 2.88Å |
| 1156 | A | 80.1 | Confident | 84.7 | Confident | 37 Ų | 37 | 26.4 Ų | 26.4 | 31% | 0.306 | 14% | 0.144 | S | C | . | . | trans | -116.6 | -22.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1161 S1162 D1219 H1227 L1229 | A1156-L1161 PolarHBondContact N-O 2.59Å; A1156-L1161 VanDerWaalsContact N-O 3.11Å; A1156-S1162 PolarHBondContact N-OG 2.88Å; A1156-D1219 HydrophobicContact CB-CB 3.75Å; A1156-D1219 WeakPolarHBondContact CB-OD2 3.31Å; A1156-H1227 HydrophobicContact CB-CB 4.14Å; A1156-L1229 HydrophobicContact CB-CD2 3.91Å | ||
| 1157 | D | 78.7 | Confident | 84.7 | Confident | 40 Ų | 40 | 26.4 Ų | 26.4 | 21% | 0.214 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -76.7 | 158.2 | 178.9 | -80.6 | -39.2 | 0 | 0 | 0 | 113.9 | S1159 G1160 L1161 | D1157-S1159 VanDerWaalsContact CB-OG 3.24Å; D1157-S1159 WeakPolarHBondContact CB-OG 3.37Å; D1157-S1159 PolarHBondContact O-N 3.33Å; D1157-S1159 VanDerWaalsContact O-N 3.11Å; D1157-G1160 PolarHBondContact O-N 2.97Å; D1157-L1161 WeakPolarHBondContact CB-O 3.43Å; D1157-L1161 PolarHBondContact N-O 3.04Å |
| 1158 | Q | 66.9 | Low | 84.7 | Confident | 193 Ų | 193 | 26.4 Ų | 26.4 | 90% | 0.902 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.5 | 169.8 | -61.8 | -175.5 | 18.1 | 0 | 0 | 113.8 | G1160 | Q1158-G1160 PolarHBondContact O-N 3.27Š|
| 1159 | S | 67.8 | Low | 84.7 | Confident | 40 Ų | 40 | 25.3 Ų | 25.3 | 28% | 0.28 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -18.4 | 173.5 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | D1157 L1161 M1387 | D1157-S1159 VanDerWaalsContact CB-OG 3.24Å; D1157-S1159 WeakPolarHBondContact CB-OG 3.37Å; D1157-S1159 PolarHBondContact O-N 3.33Å; D1157-S1159 VanDerWaalsContact O-N 3.11Å; S1159-L1161 VanDerWaalsContact C-N 3.35Å; S1159-L1161 PolarHBondContact OG-N 3.23Å; S1159-M1387 WeakPolarHBondContact O-CE 3.13Å |
| 1160 | G | 69.4 | Low | 84.8 | Confident | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 81.7 | 15.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1155 D1157 Q1158 G1515 | A1155-G1160 WeakPolarHBondContact CB-O 3.23Å; D1157-G1160 PolarHBondContact O-N 2.97Å; Q1158-G1160 PolarHBondContact O-N 3.27Å; G1160-G1515 VanDerWaalsContact CA-O 3.28Å; G1160-G1515 WeakPolarHBondContact CA-O 3.47Å |
| 1161 | L | 80.3 | Confident | 84.6 | Confident | 31 Ų | 31 | 26.6 Ų | 26.6 | 16% | 0.162 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -124.3 | -165.8 | 177.2 | -58.8 | 171.1 | 0 | 0 | 0 | 108.9 | A1155 A1156 D1157 S1159 Q1182 L1184 M1387 | A1155-L1161 WeakPolarHBondContact CA-O 3.38Å; A1156-L1161 PolarHBondContact N-O 2.59Å; A1156-L1161 VanDerWaalsContact N-O 3.11Å; D1157-L1161 WeakPolarHBondContact CB-O 3.43Å; D1157-L1161 PolarHBondContact N-O 3.04Å; S1159-L1161 VanDerWaalsContact C-N 3.35Å; S1159-L1161 PolarHBondContact OG-N 3.23Å; L1161-Q1182 HydrophobicContact CD1-CB 4.05Å; L1161-Q1182 WeakPolarHBondContact CD1-O 3.35Å; L1161-L1184 HydrophobicContact CD2-CD1 4.36Å; L1161-L1184 HydrophobicContact CD2-CG 3.96Å; L1161-M1387 HydrophobicContact CD1-CE 4.47Å; L1161-M1387 HydrophobicContact CD2-CE 4.41Å; L1161-M1387 HydrophobicContact CG-CE 4.21Å |
| 1162 | S | 86.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -145.5 | 165.3 | 171.5 | -93.4 | 0 | 0 | 0 | 0 | 111 | L1154 A1156 P1164 Q1182 T1183 D1219 | L1154-S1162 PolarHBondContact O-OG 2.85Å; A1156-S1162 PolarHBondContact N-OG 2.88Å; S1162-P1164 WeakPolarHBondContact O-CD 3.26Å; S1162-Q1182 CarbonylContact O-C 3.4Å; S1162-Q1182 VanDerWaalsContact O-CA 3.26Å; S1162-Q1182 WeakPolarHBondContact O-CA 3.28Å; S1162-Q1182 PolarHBondContact O-N 2.68Å; S1162-T1183 PolarHBondContact O-N 2.9Å; S1162-T1183 VanDerWaalsContact O-O 3.12Å; S1162-D1219 WeakPolarHBondContact CA-OD1 3.2Å; S1162-D1219 WeakPolarHBondContact CB-OD1 3.43Å; S1162-D1219 PolarHBondContact OG-OD1 2.9Å | ||
| 1163 | D | 92.5 | Very high | 84.6 | Confident | 24 Ų | 24 | 25.3 Ų | 25.3 | 13% | 0.128 | 14% | 0.139 | C | C | . | . | trans | -104.6 | 66.9 | 168.5 | -68.7 | -20.6 | 0 | 0 | 0 | 109.6 | I1179 I1180 Q1181 Q1182 D1219 Y1220 | D1163-I1179 HydrophobicContact CB-CG2 3.91Å; D1163-I1180 CarbonylContact C-O 3.52Å; D1163-I1180 WeakPolarHBondContact CA-O 3.42Å; D1163-Q1181 WeakPolarHBondContact OD1-CA 3.39Å; D1163-Q1182 PolarHBondContact OD1-N 2.67Å; D1163-D1219 PolarHBondContact N-OD1 2.94Å; D1163-Y1220 PolarHBondContact O-N 2.78Å | ||
| 1164 | P | 94.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.8 | -168.5 | 28.2 | -39.3 | 0 | 0 | 0 | 114.3 | V1153 S1162 I1180 T1183 P1186 W1188 L1217 F1218 | V1153-P1164 HydrophobicContact CG1-CB 4.45Å; S1162-P1164 WeakPolarHBondContact O-CD 3.26Å; P1164-I1180 WeakPolarHBondContact CD-O 3.45Å; P1164-I1180 PolarHBondContact O-N 2.92Å; P1164-I1180 VanDerWaalsContact O-N 3.13Å; P1164-T1183 WeakPolarHBondContact CD-O 3.42Å; P1164-T1183 HydrophobicContact CG-CG2 3.94Å; P1164-P1186 HydrophobicContact CB-CG 4.06Å; P1164-P1186 HydrophobicContact CG-CB 3.65Å; P1164-P1186 HydrophobicContact CG-CG 3.53Å; P1164-W1188 HydrophobicContact CB-CZ2 4.16Å; P1164-L1217 HydrophobicContact CB-CD1 4.29Å; P1164-F1218 CarbonylContact C-O 3.44Å; P1164-F1218 WeakPolarHBondContact CA-O 3.25Å |
| 1165 | F | 96.3 | Very high | 85 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 153.9 | 163.4 | 72.3 | -83.1 | 0 | 0 | 0 | 111 | E1176 I1179 L1217 F1218 D1226 | F1165-E1176 HydrophobicContact CD2-CB 4.32Å; F1165-E1176 HydrophobicContact CD2-CG 3.95Å; F1165-E1176 HydrophobicContact CE2-CG 3.91Å; F1165-I1179 HydrophobicContact CB-CG1 3.94Å; F1165-I1179 HydrophobicContact CD1-CG1 4.03Å; F1165-I1179 HydrophobicContact CG-CG1 4.15Å; F1165-L1217 WeakPolarHBondContact O-CD1 3.25Å; F1165-F1218 HydrophobicContact CD1-CB 4Å; F1165-F1218 HydrophobicContact CE1-CB 3.41Å; F1165-F1218 VanDerWaalsContact CE1-CB 3.41Å; F1165-F1218 HydrophobicContact CE1-CG 4.4Å; F1165-F1218 HydrophobicContact CE2-CB 4.12Å; F1165-F1218 HydrophobicContact CE2-CD2 4.17Å; F1165-F1218 HydrophobicContact CE2-CG 4.46Å; F1165-F1218 HydrophobicContact CZ-CB 3.49Å; F1165-F1218 VanDerWaalsContact CZ-CB 3.49Å; F1165-F1218 HydrophobicContact CZ-CD2 4.16Å; F1165-F1218 HydrophobicContact CZ-CG 4.01Å; F1165-F1218 PolarHBondContact N-O 3.4Å; F1165-F1218 PolarHBondContact O-N 3.02Å; F1165-D1226 HydrophobicContact CE1-CB 4.13Å; F1165-D1226 HydrophobicContact CZ-CB 4.19Å |
| 1166 | V | 95.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | I1147 E1176 T1177 W1188 I1215 E1216 L1217 I1265 | I1147-V1166 HydrophobicContact CG2-CB 4.5Å; I1147-V1166 HydrophobicContact CG2-CG2 4.27Å; V1166-E1176 VanDerWaalsContact O-CA 3.25Å; V1166-E1176 WeakPolarHBondContact O-CA 3.49Å; V1166-T1177 HydrophobicContact CB-CG2 3.95Å; V1166-T1177 PolarHBondContact N-OG1 2.95Å; V1166-T1177 PolarHBondContact O-N 3.17Å; V1166-W1188 HydrophobicContact CG2-CE3 4.5Å; V1166-W1188 HydrophobicContact CG2-CH2 3.56Å; V1166-W1188 HydrophobicContact CG2-CZ2 3.79Å; V1166-W1188 HydrophobicContact CG2-CZ3 3.95Å; V1166-I1215 HydrophobicContact CG1-CD1 4.45Å; V1166-I1215 HydrophobicContact CG1-CG2 3.72Å; V1166-E1216 WeakPolarHBondContact CA-O 3.45Å; V1166-L1217 HydrophobicContact CG2-CD1 3.53Å; V1166-I1265 HydrophobicContact CG1-CD1 4.45Å; V1166-I1265 HydrophobicContact CG2-CD1 3.78Å |
| 1167 | R | 94.1 | Very high | 86.4 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.8 | 165.3 | -176.9 | 178.6 | -66.1 | 150.4 | 4.1 | 109.4 | H613 E1176 E1216 F1218 | H613-R1167 PolarHBondContact CD2-NH1 2.83Å; H613-R1167 VanDerWaalsContact CG-NH1 3.28Å; H613-R1167 PolarHBondContact NE2-NH1 2.92Å; R1167-E1176 HydrophobicContact CB-CG 3.93Å; R1167-E1176 HydrophobicContact CG-CG 4.08Å; R1167-E1176 IonicContact CZ-OE1 3.48Å; R1167-E1176 IonicContact NE-OE1 2.9Å; R1167-E1176 PolarHBondContact NE-OE1 2.9Å; R1167-E1176 IonicContact NH2-OE1 3.2Å; R1167-E1176 PolarHBondContact NH2-OE1 2.77Å; R1167-E1216 HydrophobicContact CB-CB 4.4Å; R1167-E1216 PolarHBondContact N-O 3.41Å; R1167-E1216 PolarHBondContact O-N 3.11Å; R1167-F1218 HydrophobicContact CB-CD2 4.31Å; R1167-F1218 HydrophobicContact CB-CE2 4.08Å |
| 1168 | C | 94 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.3 | 177 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | S1174 Q1175 L1192 F1194 V1213 M1214 I1215 | C1168-S1174 CarbonylContact O-C 3.45Å; C1168-S1174 WeakPolarHBondContact O-CA 3.23Å; C1168-Q1175 PolarHBondContact N-O 2.91Å; C1168-Q1175 PolarHBondContact O-N 2.83Å; C1168-L1192 HydrophobicContact CB-CD1 3.7Å; C1168-F1194 HydrophobicContact CB-CE2 4.4Å; C1168-F1194 HydrophobicContact CB-CZ 4.02Å; C1168-F1194 WeakPolarHBondContact O-CZ 3.02Å; C1168-V1213 WeakPolarHBondContact SG-CG1 3.33Å; C1168-M1214 CarbonylContact C-O 3.52Å; C1168-M1214 WeakPolarHBondContact CA-O 3.45Å; C1168-I1215 HydrophobicContact CB-CD1 3.82Å; C1168-I1215 VanDerWaalsContact SG-CD1 3.55Å |
| 1169 | S | 92.1 | Very high | 88.3 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.5 | 179.1 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | M569 H1173 S1174 M1214 | M569-S1169 WeakPolarHBondContact SD-CB 3.48Å; S1169-H1173 WeakPolarHBondContact CA-O 3.39Å; S1169-S1174 VanDerWaalsContact OG-CB 3.32Å; S1169-S1174 WeakPolarHBondContact OG-CB 3.36Å; S1169-M1214 PolarHBondContact N-O 2.97Å; S1169-M1214 WeakPolarHBondContact O-CB 3.12Å; S1169-M1214 PolarHBondContact O-N 3.38Å |
| 1170 | F | 92.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 120.9 | 180 | -176.8 | -104.9 | 0 | 0 | 0 | 110.3 | L1143 G1172 H1173 I1197 P1211 V1213 P1236 L1271 | L1143-F1170 HydrophobicContact CB-CD1 4.46Å; L1143-F1170 HydrophobicContact CD2-CB 3.59Å; L1143-F1170 HydrophobicContact CD2-CD1 3.61Å; L1143-F1170 HydrophobicContact CD2-CD2 3.98Å; L1143-F1170 HydrophobicContact CD2-CE1 4.2Å; L1143-F1170 HydrophobicContact CD2-CG 3.46Å; L1143-F1170 VanDerWaalsContact CD2-CG 3.46Å; F1170-G1172 PolarHBondContact O-N 2.86Å; F1170-H1173 PolarHBondContact N-O 2.51Å; F1170-H1173 PolarHBondContact O-N 3.23Å; F1170-H1173 VanDerWaalsContact O-N 3.15Å; F1170-I1197 HydrophobicContact CD1-CD1 3.67Å; F1170-I1197 HydrophobicContact CD1-CG1 4.48Å; F1170-I1197 HydrophobicContact CD1-CG2 4.35Å; F1170-I1197 HydrophobicContact CE1-CD1 3.81Å; F1170-I1197 HydrophobicContact CE1-CG2 4.01Å; F1170-P1211 HydrophobicContact CE2-CB 4Å; F1170-P1211 HydrophobicContact CE2-CG 3.84Å; F1170-P1211 WeakPolarHBondContact CE2-O 3.36Å; F1170-P1211 HydrophobicContact CZ-CB 4.36Å; F1170-P1211 HydrophobicContact CZ-CG 3.72Å; F1170-V1213 HydrophobicContact CD2-CB 4.44Å; F1170-V1213 HydrophobicContact CD2-CG2 3.74Å; F1170-V1213 HydrophobicContact CE2-CG2 4.18Å; F1170-V1213 HydrophobicContact CG-CG2 4.49Å; F1170-P1236 HydrophobicContact CE2-CG 4.49Å; F1170-L1271 HydrophobicContact CE1-CD1 3.86Å; F1170-L1271 HydrophobicContact CZ-CD1 3.9Å; F1170-L1271 HydrophobicContact CZ-CD2 4.06Å |
| 1171 | Q | 85.9 | Confident | 90.3 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -132.5 | -172.8 | -61.4 | -65.9 | -14 | 0 | 0 | 111.2 | S566 T568 H1173 I1197 M1199 P1211 | S566-Q1171 PolarHBondContact OG-OE1 2.98Å; T568-Q1171 VanDerWaalsContact CB-O 3.28Å; T568-Q1171 WeakPolarHBondContact CB-O 3.46Å; T568-Q1171 WeakPolarHBondContact CG2-O 3.35Å; Q1171-H1173 PolarHBondContact O-N 2.96Å; Q1171-I1197 HydrophobicContact CB-CG2 4.49Å; Q1171-I1197 HydrophobicContact CG-CG2 4.3Å; Q1171-M1199 HydrophobicContact CG-SD 4.1Å; Q1171-P1211 VanDerWaalsContact NE2-CB 3.26Å; Q1171-P1211 VanDerWaalsContact NE2-CG 3.35Å |
| 1172 | G | 79.8 | Confident | 90.4 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 24.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D610 F1170 | D610-G1172 VanDerWaalsContact CB-O 3.29Å; D610-G1172 WeakPolarHBondContact CB-O 3.42Å; F1170-G1172 PolarHBondContact O-N 2.86Å |
| 1173 | H | 83.5 | Confident | 90.2 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 29% | 0.292 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.7 | -176 | -55.2 | 92.4 | 0 | 0 | 0 | 111.4 | S1169 F1170 Q1171 F1194 | S1169-H1173 WeakPolarHBondContact CA-O 3.39Å; F1170-H1173 PolarHBondContact N-O 2.51Å; F1170-H1173 PolarHBondContact O-N 3.23Å; F1170-H1173 VanDerWaalsContact O-N 3.15Å; Q1171-H1173 PolarHBondContact O-N 2.96Å; H1173-F1194 HydrophobicContact CB-CD1 3.67Å; H1173-F1194 HydrophobicContact CB-CE1 4.06Å |
| 1174 | S | 88.1 | Confident | 89.6 | Confident | 15 Ų | 15 | 37.9 Ų | 37.9 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152 | 169.8 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | D610 L612 C1168 S1169 | D610-S1174 VanDerWaalsContact CG-OG 3.26Å; D610-S1174 WeakPolarHBondContact OD2-CB 3.47Å; D610-S1174 PolarHBondContact OD2-OG 2.72Å; L612-S1174 WeakPolarHBondContact CB-OG 3.42Å; L612-S1174 WeakPolarHBondContact CD2-OG 2.81Å; C1168-S1174 CarbonylContact O-C 3.45Å; C1168-S1174 WeakPolarHBondContact O-CA 3.23Å; S1169-S1174 VanDerWaalsContact OG-CB 3.32Å; S1169-S1174 WeakPolarHBondContact OG-CB 3.36Å |
| 1175 | Q | 88.3 | Confident | 89 | Confident | 60 Ų | 60 | 38.7 Ų | 38.7 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 158.1 | 176.4 | -71.4 | -175.8 | 45.4 | 0 | 0 | 110 | C1168 L1192 I1193 F1194 | C1168-Q1175 PolarHBondContact N-O 2.91Å; C1168-Q1175 PolarHBondContact O-N 2.83Å; Q1175-L1192 HydrophobicContact CB-CB 4.38Å; Q1175-L1192 HydrophobicContact CB-CD1 4.17Å; Q1175-L1192 HydrophobicContact CB-CD2 4.45Å; Q1175-I1193 VanDerWaalsContact NE2-C 3.29Å; Q1175-I1193 PolarHBondContact NE2-O 2.75Å; Q1175-F1194 HydrophobicContact CB-CE1 4.23Å; Q1175-F1194 HydrophobicContact CB-CE2 4.47Å; Q1175-F1194 HydrophobicContact CB-CZ 3.87Å; Q1175-F1194 HydrophobicContact CG-CD1 4.47Å; Q1175-F1194 HydrophobicContact CG-CE1 3.99Å; Q1175-F1194 HydrophobicContact CG-CZ 4.06Å |
| 1176 | E | 92.9 | Very high | 88.6 | Confident | 67 Ų | 67 | 38.5 Ų | 38.5 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147 | 178.4 | -80.2 | 163.3 | -179 | 0 | 0 | 110.7 | L612 F1165 V1166 R1167 | L612-E1176 HydrophobicContact CD2-CG 3.84Å; F1165-E1176 HydrophobicContact CD2-CB 4.32Å; F1165-E1176 HydrophobicContact CD2-CG 3.95Å; F1165-E1176 HydrophobicContact CE2-CG 3.91Å; V1166-E1176 VanDerWaalsContact O-CA 3.25Å; V1166-E1176 WeakPolarHBondContact O-CA 3.49Å; R1167-E1176 HydrophobicContact CB-CG 3.93Å; R1167-E1176 HydrophobicContact CG-CG 4.08Å; R1167-E1176 IonicContact CZ-OE1 3.48Å; R1167-E1176 IonicContact NE-OE1 2.9Å; R1167-E1176 PolarHBondContact NE-OE1 2.9Å; R1167-E1176 IonicContact NH2-OE1 3.2Å; R1167-E1176 PolarHBondContact NH2-OE1 2.77Å |
| 1177 | T | 94.8 | Very high | 88.3 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | trans | -76 | 175 | 167.5 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | I1147 V1166 W1188 L1192 | I1147-T1177 HydrophobicContact CB-CG2 4.11Å; I1147-T1177 HydrophobicContact CG1-CG2 4.25Å; I1147-T1177 HydrophobicContact CG2-CG2 3.97Å; V1166-T1177 HydrophobicContact CB-CG2 3.95Å; V1166-T1177 PolarHBondContact N-OG1 2.95Å; V1166-T1177 PolarHBondContact O-N 3.17Å; T1177-W1188 HydrophobicContact CG2-CG 4.28Å; T1177-W1188 PolarHBondContact OG1-NE1 2.93Å; T1177-W1188 VanDerWaalsContact OG1-NE1 3.15Å; T1177-L1192 HydrophobicContact CG2-CD1 4.07Å; T1177-L1192 HydrophobicContact CG2-CD2 4.35Å; T1177-L1192 HydrophobicContact CG2-CG 4.4Å | ||
| 1178 | Q | 92.6 | Very high | 88.2 | Confident | 100 Ų | 100 | 42.3 Ų | 42.3 | 47% | 0.467 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 156.7 | 165.5 | -68 | -172.9 | -12.8 | 0 | 0 | 112.4 | W1188 E1190 L1289 | Q1178-W1188 PolarHBondContact O-NE1 2.86Å; Q1178-E1190 VanDerWaalsContact CB-OE1 3.25Å; Q1178-E1190 WeakPolarHBondContact CB-OE1 3.42Å; Q1178-E1190 WeakPolarHBondContact CG-OE1 2.99Å; Q1178-E1190 PolarHBondContact N-OE1 3.46Å; Q1178-E1190 PolarHBondContact N-OE2 3.45Å; Q1178-L1289 HydrophobicContact CG-CD1 3.75Å; Q1178-L1289 HydrophobicContact CG-CD2 4.16Å; Q1178-L1289 HydrophobicContact CG-CG 4.47Å |
| 1179 | I | 93.1 | Very high | 88 | Confident | 65 Ų | 65 | 43.3 Ų | 43.3 | 33% | 0.333 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -82.1 | 120.5 | 170.2 | -61.5 | 156.7 | 0 | 0 | 0 | 107.7 | D1163 F1165 Y1220 | D1163-I1179 HydrophobicContact CB-CG2 3.91Å; F1165-I1179 HydrophobicContact CB-CG1 3.94Å; F1165-I1179 HydrophobicContact CD1-CG1 4.03Å; F1165-I1179 HydrophobicContact CG-CG1 4.15Å; I1179-Y1220 HydrophobicContact CD1-CD1 3.95Å; I1179-Y1220 HydrophobicContact CD1-CD2 3.53Å; I1179-Y1220 HydrophobicContact CD1-CE1 4.38Å; I1179-Y1220 HydrophobicContact CD1-CE2 4Å; I1179-Y1220 HydrophobicContact CD1-CG 3.48Å; I1179-Y1220 VanDerWaalsContact CD1-CG 3.48Å; I1179-Y1220 HydrophobicContact CG1-CD2 4.48Å; I1179-Y1220 HydrophobicContact CG1-CG 4.19Å; I1179-Y1220 HydrophobicContact CG2-CD1 4.34Å; I1179-Y1220 HydrophobicContact CG2-CG 4.26Å |
| 1180 | I | 90.3 | Very high | 88.1 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -98.1 | 117.7 | 172.4 | -53.5 | -59.5 | 0 | 0 | 0 | 107.5 | D1163 P1164 T1183 P1186 W1188 | D1163-I1180 CarbonylContact C-O 3.52Å; D1163-I1180 WeakPolarHBondContact CA-O 3.42Å; P1164-I1180 WeakPolarHBondContact CD-O 3.45Å; P1164-I1180 PolarHBondContact O-N 2.92Å; P1164-I1180 VanDerWaalsContact O-N 3.13Å; I1180-T1183 HydrophobicContact CB-CG2 4.15Å; I1180-T1183 HydrophobicContact CG2-CG2 3.57Å; I1180-P1186 HydrophobicContact CB-CB 4Å; I1180-P1186 HydrophobicContact CG1-CB 4.12Å; I1180-P1186 HydrophobicContact CG2-CB 4.29Å; I1180-W1188 HydrophobicContact CG1-CG 4.38Å |
| 1181 | Q | 88.2 | Confident | 88.1 | Confident | 145 Ų | 145 | 43.6 Ų | 43.6 | 68% | 0.678 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -79.3 | 142.9 | -172.8 | -65.9 | -178.9 | -20.2 | 0 | 0 | 112.7 | D1163 | D1163-Q1181 WeakPolarHBondContact OD1-CA 3.39Š|
| 1182 | Q | 81.6 | Confident | 88.4 | Confident | 129 Ų | 129 | 42.5 Ų | 42.5 | 60% | 0.603 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 52.4 | 56.3 | 168.3 | -59.2 | -171.8 | -16.6 | 0 | 0 | 114.4 | L1161 S1162 D1163 | L1161-Q1182 HydrophobicContact CD1-CB 4.05Å; L1161-Q1182 WeakPolarHBondContact CD1-O 3.35Å; S1162-Q1182 CarbonylContact O-C 3.4Å; S1162-Q1182 VanDerWaalsContact O-CA 3.26Å; S1162-Q1182 WeakPolarHBondContact O-CA 3.28Å; S1162-Q1182 PolarHBondContact O-N 2.68Å; D1163-Q1182 PolarHBondContact OD1-N 2.67Å |
| 1183 | T | 83 | Confident | 88.7 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | trans | -149.1 | 151.2 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 113.3 | S1162 P1164 I1180 C1185 P1186 | S1162-T1183 PolarHBondContact O-N 2.9Å; S1162-T1183 VanDerWaalsContact O-O 3.12Å; P1164-T1183 WeakPolarHBondContact CD-O 3.42Å; P1164-T1183 HydrophobicContact CG-CG2 3.94Å; I1180-T1183 HydrophobicContact CB-CG2 4.15Å; I1180-T1183 HydrophobicContact CG2-CG2 3.57Å; T1183-C1185 PolarHBondContact OG1-N 3.46Å; T1183-P1186 HydrophobicContact CG2-CB 3.78Å | ||
| 1184 | L | 79.9 | Confident | 88.9 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -105.4 | -0.5 | 168.6 | -56.3 | -176.3 | 0 | 0 | 0 | 112.7 | S1152 V1153 A1155 L1161 P1186 | S1152-L1184 PolarHBondContact N-O 2.64Å; V1153-L1184 VanDerWaalsContact CB-O 3.3Å; V1153-L1184 WeakPolarHBondContact CB-O 3.42Å; V1153-L1184 WeakPolarHBondContact CG2-O 3.46Å; V1153-L1184 PolarHBondContact N-O 3.12Å; V1153-L1184 WeakPolarHBondContact O-CD2 3.31Å; A1155-L1184 HydrophobicContact CB-CD1 4.22Å; A1155-L1184 HydrophobicContact CB-CD2 3.81Å; L1161-L1184 HydrophobicContact CD2-CD1 4.36Å; L1161-L1184 HydrophobicContact CD2-CG 3.96Å; L1184-P1186 VanDerWaalsContact C-CD 3.45Å |
| 1185 | C | 81.5 | Confident | 88.2 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -133.9 | 57.6 | -176.4 | -57.6 | 0 | 0 | 0 | 0 | 109.7 | A1150 T1183 P1371 | A1150-C1185 CarbonylContact O-C 3.53Å; A1150-C1185 VanDerWaalsContact O-CA 3.24Å; A1150-C1185 WeakPolarHBondContact O-CA 3.42Å; T1183-C1185 PolarHBondContact OG1-N 3.46Å; C1185-P1371 HydrophobicContact CB-CG 3.69Å; C1185-P1371 WeakPolarHBondContact SG-CG 3.28Å |
| 1186 | P | 89 | Confident | 87.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | trans | -66.8 | 144.1 | -174.2 | 30 | -37.6 | 0 | 0 | 0 | 112.4 | Q1149 A1150 V1153 P1164 I1180 T1183 L1184 W1188 | Q1149-P1186 CarbonylContact C-O 3.49Å; Q1149-P1186 WeakPolarHBondContact CA-O 3.18Å; Q1149-P1186 VanDerWaalsContact CB-O 3.29Å; Q1149-P1186 WeakPolarHBondContact CB-O 3.43Å; A1150-P1186 HydrophobicContact CB-CG 3.92Å; A1150-P1186 PolarHBondContact N-O 3.2Å; V1153-P1186 HydrophobicContact CG2-CG 4.41Å; P1164-P1186 HydrophobicContact CB-CG 4.06Å; P1164-P1186 HydrophobicContact CG-CB 3.65Å; P1164-P1186 HydrophobicContact CG-CG 3.53Å; I1180-P1186 HydrophobicContact CB-CB 4Å; I1180-P1186 HydrophobicContact CG1-CB 4.12Å; I1180-P1186 HydrophobicContact CG2-CB 4.29Å; T1183-P1186 HydrophobicContact CG2-CB 3.78Å; L1184-P1186 VanDerWaalsContact C-CD 3.45Å; P1186-W1188 HydrophobicContact CB-CD2 4.43Å; P1186-W1188 HydrophobicContact CB-CE3 4.5Å; P1186-W1188 HydrophobicContact CB-CH2 3.91Å; P1186-W1188 HydrophobicContact CB-CZ2 3.78Å; P1186-W1188 HydrophobicContact CB-CZ3 4.26Å; P1186-W1188 HydrophobicContact CG-CE3 4.43Å; P1186-W1188 HydrophobicContact CG-CH2 3.24Å; P1186-W1188 HydrophobicContact CG-CZ2 3.55Å; P1186-W1188 HydrophobicContact CG-CZ3 3.73Å | ||
| 1187 | I | 89.2 | Confident | 87 | Confident | 75 Ų | 75 | 40.7 Ų | 40.7 | 39% | 0.385 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 110.3 | 170.1 | -55.5 | 175.8 | 0 | 0 | 0 | 107.2 | Q1149 D1189 | Q1149-I1187 HydrophobicContact CB-CB 4.35Å; Q1149-I1187 HydrophobicContact CB-CG1 3.94Å; Q1149-I1187 HydrophobicContact CB-CG2 4.45Å; I1187-D1189 HydrophobicContact CG2-CB 4.44Å |
| 1188 | W | 91.6 | Very high | 86.3 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -47 | 176 | -63.5 | -81.6 | 0 | 0 | 0 | 110.9 | I1147 F1148 A1150 P1164 V1166 T1177 Q1178 I1180 P1186 E1190 L1217 | I1147-W1188 HydrophobicContact CG2-CD2 4.23Å; I1147-W1188 HydrophobicContact CG2-CE3 3.74Å; I1147-W1188 HydrophobicContact CG2-CZ3 4.29Å; F1148-W1188 PolarHBondContact O-N 2.82Å; A1150-W1188 HydrophobicContact CB-CH2 3.87Å; A1150-W1188 HydrophobicContact CB-CZ3 3.7Å; P1164-W1188 HydrophobicContact CB-CZ2 4.16Å; V1166-W1188 HydrophobicContact CG2-CE3 4.5Å; V1166-W1188 HydrophobicContact CG2-CH2 3.56Å; V1166-W1188 HydrophobicContact CG2-CZ2 3.79Å; V1166-W1188 HydrophobicContact CG2-CZ3 3.95Å; T1177-W1188 HydrophobicContact CG2-CG 4.28Å; T1177-W1188 PolarHBondContact OG1-NE1 2.93Å; T1177-W1188 VanDerWaalsContact OG1-NE1 3.15Å; Q1178-W1188 PolarHBondContact O-NE1 2.86Å; I1180-W1188 HydrophobicContact CG1-CG 4.38Å; P1186-W1188 HydrophobicContact CB-CD2 4.43Å; P1186-W1188 HydrophobicContact CB-CE3 4.5Å; P1186-W1188 HydrophobicContact CB-CH2 3.91Å; P1186-W1188 HydrophobicContact CB-CZ2 3.78Å; P1186-W1188 HydrophobicContact CB-CZ3 4.26Å; P1186-W1188 HydrophobicContact CG-CE3 4.43Å; P1186-W1188 HydrophobicContact CG-CH2 3.24Å; P1186-W1188 HydrophobicContact CG-CZ2 3.55Å; P1186-W1188 HydrophobicContact CG-CZ3 3.73Å; W1188-E1190 HydrophobicContact CB-CB 4.2Å; W1188-E1190 HydrophobicContact CB-CG 4.11Å; W1188-E1190 PolarHBondContact O-N 3.18Å; W1188-L1217 HydrophobicContact CH2-CD1 3.78Å; W1188-L1217 HydrophobicContact CZ2-CD1 4.1Å |
| 1189 | D | 90.8 | Very high | 85.9 | Confident | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.107 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.7 | 42.2 | -172.1 | 177.4 | 37.4 | 0 | 0 | 0 | 111.4 | I1147 F1148 I1187 R1286 N1291 V1292 R1297 | I1147-D1189 PolarHBondContact O-N 2.86Å; F1148-D1189 HydrophobicContact CD2-CB 4.18Å; F1148-D1189 HydrophobicContact CE2-CB 4.17Å; F1148-D1189 PolarHBondContact O-N 2.95Å; I1187-D1189 HydrophobicContact CG2-CB 4.44Å; D1189-R1286 IonicContact OD2-NH2 3.67Å; D1189-R1286 PolarHBondContact OD2-NH2 3Å; D1189-N1291 WeakPolarHBondContact O-CA 3.49Å; D1189-V1292 PolarHBondContact O-N 3.09Å; D1189-V1292 WeakPolarHBondContact OD1-CB 2.93Å; D1189-V1292 PolarHBondContact OD1-N 3.34Å; D1189-R1297 IonicContact OD1-CZ 2.67Å; D1189-R1297 VanDerWaalsContact OD1-CZ 3.31Å; D1189-R1297 IonicContact OD1-NE 3.05Å; D1189-R1297 PolarHBondContact OD1-NE 3.33Å; D1189-R1297 IonicContact OD1-NH2 3Å; D1189-R1297 PolarHBondContact OD1-NH2 3.16Å; D1189-R1297 IonicContact OD2-CZ 3.84Å; D1189-R1297 IonicContact OD2-NE 3.57Å; D1189-R1297 IonicContact OD2-NH2 3.25Å; D1189-R1297 PolarHBondContact OD2-NH2 3.02Å |
| 1190 | E | 93.6 | Very high | 85.4 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 142.4 | -174.6 | -73.7 | -177.4 | -127.8 | 0 | 0 | 112.2 | I1147 Q1178 W1188 L1289 F1290 | I1147-E1190 PolarHBondContact N-O 3.04Å; I1147-E1190 PolarHBondContact O-N 3.16Å; Q1178-E1190 VanDerWaalsContact CB-OE1 3.25Å; Q1178-E1190 WeakPolarHBondContact CB-OE1 3.42Å; Q1178-E1190 WeakPolarHBondContact CG-OE1 2.99Å; Q1178-E1190 PolarHBondContact N-OE1 3.46Å; Q1178-E1190 PolarHBondContact N-OE2 3.45Å; W1188-E1190 HydrophobicContact CB-CB 4.2Å; W1188-E1190 HydrophobicContact CB-CG 4.11Å; W1188-E1190 PolarHBondContact O-N 3.18Å; E1190-L1289 HydrophobicContact CG-CD1 3.97Å; E1190-F1290 CarbonylContact C-O 3.57Å; E1190-F1290 WeakPolarHBondContact CA-O 3.49Å |
| 1191 | T | 92.9 | Very high | 84.9 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 112.3 | 168.3 | -55.3 | 0 | 0 | 0 | 0 | 109.4 | R1144 A1145 Y1146 I1193 P1283 F1290 N1291 V1292 | R1144-T1191 HydrophobicContact CB-CG2 4.08Å; A1145-T1191 CarbonylContact O-C 3.01Å; A1145-T1191 WeakPolarHBondContact O-CA 3.44Å; Y1146-T1191 HydrophobicContact CD1-CG2 3.66Å; Y1146-T1191 WeakPolarHBondContact CD1-OG1 3.32Å; Y1146-T1191 HydrophobicContact CE1-CG2 3.62Å; T1191-I1193 HydrophobicContact CG2-CG1 4.01Å; T1191-P1283 HydrophobicContact CG2-CG 4.11Å; T1191-F1290 PolarHBondContact N-O 3Å; T1191-N1291 PolarHBondContact OG1-O 3.41Å; T1191-V1292 WeakPolarHBondContact OG1-CA 3.26Å |
| 1192 | L | 91.8 | Very high | 84.7 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.5 | 171.3 | -53 | 178.1 | 0 | 0 | 0 | 108.9 | R1144 A1145 I1147 C1168 Q1175 T1177 F1194 | R1144-L1192 WeakPolarHBondContact CA-O 3.31Å; A1145-L1192 HydrophobicContact CB-CB 4.24Å; A1145-L1192 PolarHBondContact N-O 2.95Å; A1145-L1192 PolarHBondContact O-N 3.08Å; I1147-L1192 HydrophobicContact CG1-CD1 4.35Å; C1168-L1192 HydrophobicContact CB-CD1 3.7Å; Q1175-L1192 HydrophobicContact CB-CB 4.38Å; Q1175-L1192 HydrophobicContact CB-CD1 4.17Å; Q1175-L1192 HydrophobicContact CB-CD2 4.45Å; T1177-L1192 HydrophobicContact CG2-CD1 4.07Å; T1177-L1192 HydrophobicContact CG2-CD2 4.35Å; T1177-L1192 HydrophobicContact CG2-CG 4.4Å; L1192-F1194 HydrophobicContact CB-CE2 4.06Å |
| 1193 | I | 86 | Confident | 85 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 7% | 0.067 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 109.8 | -172.7 | -59 | -176.5 | 0 | 0 | 0 | 109.4 | H1142 Q1175 T1191 E1195 F1290 | H1142-I1193 WeakPolarHBondContact CE1-CG2 3.4Å; Q1175-I1193 VanDerWaalsContact NE2-C 3.29Å; Q1175-I1193 PolarHBondContact NE2-O 2.75Å; T1191-I1193 HydrophobicContact CG2-CG1 4.01Å; I1193-E1195 HydrophobicContact CG2-CG 3.79Å; I1193-F1290 HydrophobicContact CD1-CB 4.38Å; I1193-F1290 HydrophobicContact CD1-CD1 3.83Å; I1193-F1290 HydrophobicContact CD1-CD2 3.67Å; I1193-F1290 HydrophobicContact CD1-CE1 3.85Å; I1193-F1290 HydrophobicContact CD1-CE2 3.73Å; I1193-F1290 HydrophobicContact CD1-CG 3.71Å; I1193-F1290 HydrophobicContact CD1-CZ 3.78Å; I1193-F1290 HydrophobicContact CG1-CD2 4.14Å; I1193-F1290 HydrophobicContact CG1-CE2 4.37Å; I1193-F1290 HydrophobicContact CG1-CG 4.45Å |
| 1194 | F | 87 | Confident | 85.2 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 106.3 | 175 | -61 | -104.2 | 0 | 0 | 0 | 109.2 | L1143 A1145 C1168 H1173 Q1175 L1192 I1197 | L1143-F1194 HydrophobicContact CB-CB 4.07Å; L1143-F1194 HydrophobicContact CB-CD2 4.41Å; L1143-F1194 HydrophobicContact CD2-CD2 3.86Å; L1143-F1194 HydrophobicContact CD2-CE2 4.27Å; L1143-F1194 HydrophobicContact CD2-CG 4.25Å; L1143-F1194 HydrophobicContact CG-CD2 4.11Å; L1143-F1194 PolarHBondContact N-O 2.78Å; L1143-F1194 VanDerWaalsContact N-O 3.09Å; L1143-F1194 PolarHBondContact O-N 3.06Å; A1145-F1194 HydrophobicContact CB-CE2 4.46Å; C1168-F1194 HydrophobicContact CB-CE2 4.4Å; C1168-F1194 HydrophobicContact CB-CZ 4.02Å; C1168-F1194 WeakPolarHBondContact O-CZ 3.02Å; H1173-F1194 HydrophobicContact CB-CD1 3.67Å; H1173-F1194 HydrophobicContact CB-CE1 4.06Å; Q1175-F1194 HydrophobicContact CB-CE1 4.23Å; Q1175-F1194 HydrophobicContact CB-CE2 4.47Å; Q1175-F1194 HydrophobicContact CB-CZ 3.87Å; Q1175-F1194 HydrophobicContact CG-CD1 4.47Å; Q1175-F1194 HydrophobicContact CG-CE1 3.99Å; Q1175-F1194 HydrophobicContact CG-CZ 4.06Å; L1192-F1194 HydrophobicContact CB-CE2 4.06Å; F1194-I1197 HydrophobicContact CB-CD1 3.52Å; F1194-I1197 HydrophobicContact CB-CG1 4.16Å |
| 1195 | E | 74.9 | Confident | 85.4 | Confident | 103 Ų | 103 | 34.7 Ų | 34.7 | 48% | 0.481 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 148.6 | -177.5 | -55.7 | -174.7 | 164 | 0 | 0 | 111.9 | I1193 I1197 | I1193-E1195 HydrophobicContact CG2-CG 3.79Å; E1195-I1197 PolarHBondContact O-N 3.47Å |
| 1196 | H | 72.4 | Confident | 85.7 | Confident | 62 Ų | 62 | 34.5 Ų | 34.5 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.5 | 48.1 | 172.6 | -65.6 | -82.2 | 0 | 0 | 0 | 114.8 | Q1024 R1028 E1198 | Q1024-H1196 PolarHBondContact NE2-CD2 3Å; Q1024-H1196 PolarHBondContact NE2-NE2 3.36Å; Q1024-H1196 VanDerWaalsContact NE2-NE2 3.16Å; R1028-H1196 PolarHBondContact NH2-CE1 3.38Å; R1028-H1196 VanDerWaalsContact NH2-CE1 3.3Å; H1196-E1198 PolarHBondContact O-N 2.96Å |
| 1197 | I | 83.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 105.4 | 173.6 | -60.7 | 156.3 | 0 | 0 | 0 | 108.8 | W1141 L1143 F1170 Q1171 F1194 E1195 M1199 | W1141-I1197 WeakPolarHBondContact CA-O 3.13Å; W1141-I1197 HydrophobicContact CB-CB 4.18Å; W1141-I1197 WeakPolarHBondContact CB-O 3.46Å; W1141-I1197 PolarHBondContact N-O 3.16Å; W1141-I1197 PolarHBondContact O-N 3.11Å; L1143-I1197 HydrophobicContact CB-CD1 3.63Å; F1170-I1197 HydrophobicContact CD1-CD1 3.67Å; F1170-I1197 HydrophobicContact CD1-CG1 4.48Å; F1170-I1197 HydrophobicContact CD1-CG2 4.35Å; F1170-I1197 HydrophobicContact CE1-CD1 3.81Å; F1170-I1197 HydrophobicContact CE1-CG2 4.01Å; Q1171-I1197 HydrophobicContact CB-CG2 4.49Å; Q1171-I1197 HydrophobicContact CG-CG2 4.3Å; F1194-I1197 HydrophobicContact CB-CD1 3.52Å; F1194-I1197 HydrophobicContact CB-CG1 4.16Å; E1195-I1197 PolarHBondContact O-N 3.47Å; I1197-M1199 HydrophobicContact CG2-CE 4.4Å; I1197-M1199 HydrophobicContact CG2-CG 4.12Å; I1197-M1199 HydrophobicContact CG2-SD 4.37Å |
| 1198 | E | 78.8 | Confident | 85.4 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 38% | 0.383 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.7 | 178.6 | -172.4 | 170.6 | -169.1 | 0 | 0 | 111.3 | S1138 H1139 H1196 | S1138-E1198 VanDerWaalsContact CB-OE1 3.31Å; S1138-E1198 WeakPolarHBondContact CB-OE1 3.5Å; S1138-E1198 WeakPolarHBondContact OG-CG 3.45Å; S1138-E1198 PolarHBondContact OG-OE1 3.2Å; H1139-E1198 WeakPolarHBondContact O-CA 3.14Å; H1196-E1198 PolarHBondContact O-N 2.96Å |
| 1199 | M | 85.3 | Confident | 85.2 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 7% | 0.069 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.2 | 176.9 | -65.9 | -174.5 | -67.4 | 0 | 0 | 110.2 | H1139 W1141 Q1171 I1197 I1206 P1211 L1271 | H1139-M1199 PolarHBondContact N-O 2.96Å; H1139-M1199 PolarHBondContact O-N 3.09Å; W1141-M1199 HydrophobicContact CB-CE 3.97Å; W1141-M1199 HydrophobicContact CD2-CE 3.77Å; W1141-M1199 HydrophobicContact CG-CE 3.41Å; W1141-M1199 VanDerWaalsContact CG-CE 3.41Å; Q1171-M1199 HydrophobicContact CG-SD 4.1Å; I1197-M1199 HydrophobicContact CG2-CE 4.4Å; I1197-M1199 HydrophobicContact CG2-CG 4.12Å; I1197-M1199 HydrophobicContact CG2-SD 4.37Å; M1199-I1206 HydrophobicContact CE-CG2 4.31Å; M1199-I1206 HydrophobicContact SD-CD1 4.44Å; M1199-P1211 HydrophobicContact SD-CG 3.95Å; M1199-L1271 HydrophobicContact CE-CD1 4.43Å; M1199-L1271 HydrophobicContact CE-CD2 4.12Å |
| 1200 | C | 83.2 | Confident | 85.3 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 153.6 | 177.1 | -43.9 | 0 | 0 | 0 | 0 | 111.2 | F1135 | F1135-C1200 HydrophobicContact CB-CB 3.66Å; F1135-C1200 HydrophobicContact CD1-CB 3.77Å; F1135-C1200 HydrophobicContact CD2-CB 3.93Å; F1135-C1200 HydrophobicContact CE1-CB 4.4Å; F1135-C1200 HydrophobicContact CG-CB 3.49Å; F1135-C1200 VanDerWaalsContact CG-CB 3.49Å |
| 1201 | G | 78.5 | Confident | 85.2 | Confident | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 102.1 | 171.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E844 H1139 P1203 | E844-G1201 WeakPolarHBondContact OE2-CA 3.15Å; H1139-G1201 PolarHBondContact CD2-O 3.45Å; G1201-P1203 WeakPolarHBondContact O-CD 3.46Å |
| 1202 | D | 84.3 | Confident | 85.3 | Confident | 65 Ų | 65 | 41.7 Ų | 41.7 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | trans | -65.1 | 123.8 | -176.4 | -177 | -9.7 | 0 | 0 | 0 | 108.9 | E844 K1204 T1205 I1206 | E844-D1202 WeakPolarHBondContact OE2-CA 3.23Å; E844-D1202 VanDerWaalsContact OE2-CB 3.24Å; E844-D1202 WeakPolarHBondContact OE2-CB 3.45Å; E844-D1202 PolarHBondContact OE2-N 2.59Å; D1202-K1204 PolarHBondContact O-N 3.4Å; D1202-K1204 WeakPolarHBondContact OD1-CB 3.28Å; D1202-K1204 PolarHBondContact OD1-N 2.79Å; D1202-T1205 WeakPolarHBondContact O-CB 3.3Å; D1202-T1205 PolarHBondContact O-N 2.85Å; D1202-I1206 PolarHBondContact O-N 3.29Å | ||
| 1203 | P | 88.1 | Confident | 85.4 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.3 | -26.7 | 174.6 | -28.1 | 35.8 | 0 | 0 | 0 | 114.5 | H1139 W1141 G1201 T1205 I1206 L1207 L1240 L1273 | H1139-P1203 HydrophobicContact CB-CG 4.42Å; W1141-P1203 HydrophobicContact CH2-CB 4Å; W1141-P1203 HydrophobicContact CZ2-CB 3.78Å; W1141-P1203 HydrophobicContact CZ2-CG 4.37Å; G1201-P1203 WeakPolarHBondContact O-CD 3.46Å; P1203-T1205 VanDerWaalsContact C-N 3.33Å; P1203-I1206 PolarHBondContact O-N 3.36Å; P1203-L1207 PolarHBondContact O-N 3.49Å; P1203-L1240 HydrophobicContact CB-CD2 3.66Å; P1203-L1240 WeakPolarHBondContact O-CD2 3.26Å; P1203-L1273 HydrophobicContact CB-CD1 4.44Å; P1203-L1273 HydrophobicContact CB-CD2 3.84Å; P1203-L1273 HydrophobicContact CG-CD1 4.17Å; P1203-L1273 HydrophobicContact CG-CD2 3.85Å |
| 1204 | K | 87 | Confident | 85.8 | Confident | 141 Ų | 141 | 40.7 Ų | 40.7 | 61% | 0.613 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.8 | -34 | 174 | -66.5 | 179.8 | 180 | 177.6 | 0 | 112.9 | D1202 L1207 S1208 L1240 | D1202-K1204 PolarHBondContact O-N 3.4Å; D1202-K1204 WeakPolarHBondContact OD1-CB 3.28Å; D1202-K1204 PolarHBondContact OD1-N 2.79Å; K1204-L1207 WeakPolarHBondContact O-CB 3.38Å; K1204-L1207 PolarHBondContact O-N 3.06Å; K1204-S1208 PolarHBondContact O-N 2.98Å; K1204-S1208 PolarHBondContact O-OG 3.35Å; K1204-L1240 HydrophobicContact CG-CD1 4.22Å |
| 1205 | T | 83.5 | Confident | 86.2 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 175.5 | -52 | 0 | 0 | 0 | 0 | 110.8 | D1202 P1203 L1207 S1208 D1209 | D1202-T1205 WeakPolarHBondContact O-CB 3.3Å; D1202-T1205 PolarHBondContact O-N 2.85Å; P1203-T1205 VanDerWaalsContact C-N 3.33Å; T1205-L1207 VanDerWaalsContact C-N 3.33Å; T1205-S1208 WeakPolarHBondContact CA-OG 3.49Å; T1205-S1208 PolarHBondContact O-N 3.07Å; T1205-S1208 PolarHBondContact O-OG 3.3Å; T1205-D1209 PolarHBondContact O-N 3.01Å |
| 1206 | I | 87.9 | Confident | 87.2 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.3 | -34.7 | 173.7 | -61.2 | -67.1 | 0 | 0 | 0 | 111.5 | W1141 M1199 D1202 P1203 D1209 P1210 V1238 L1271 | W1141-I1206 HydrophobicContact CH2-CB 4.02Å; W1141-I1206 HydrophobicContact CH2-CG2 3.76Å; W1141-I1206 HydrophobicContact CZ2-CB 3.81Å; W1141-I1206 HydrophobicContact CZ2-CG1 4.05Å; W1141-I1206 HydrophobicContact CZ2-CG2 3.76Å; W1141-I1206 HydrophobicContact CZ3-CG2 4.35Å; M1199-I1206 HydrophobicContact CE-CG2 4.31Å; M1199-I1206 HydrophobicContact SD-CD1 4.44Å; D1202-I1206 PolarHBondContact O-N 3.29Å; P1203-I1206 PolarHBondContact O-N 3.36Å; I1206-D1209 CarbonylContact O-C 3.58Å; I1206-D1209 VanDerWaalsContact O-C 3.28Å; I1206-P1210 WeakPolarHBondContact O-CA 3.43Å; I1206-P1210 WeakPolarHBondContact O-CG 3.38Å; I1206-P1210 VanDerWaalsContact O-N 3.13Å; I1206-V1238 HydrophobicContact CG2-CG1 4.34Å; I1206-L1271 HydrophobicContact CG2-CD2 3.89Å |
| 1207 | L | 89 | Confident | 88.2 | Confident | 80 Ų | 80 | 32.9 Ų | 32.9 | 42% | 0.419 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 174.2 | 176.2 | 65.2 | 0 | 0 | 0 | 111.9 | P1203 K1204 T1205 V1238 L1240 | P1203-L1207 PolarHBondContact O-N 3.49Å; K1204-L1207 WeakPolarHBondContact O-CB 3.38Å; K1204-L1207 PolarHBondContact O-N 3.06Å; T1205-L1207 VanDerWaalsContact C-N 3.33Å; L1207-V1238 HydrophobicContact CB-CG1 4.21Å; L1207-V1238 HydrophobicContact CD1-CB 3.73Å; L1207-V1238 HydrophobicContact CD1-CG1 4.07Å; L1207-V1238 WeakPolarHBondContact CD1-O 3.24Å; L1207-L1240 HydrophobicContact CB-CD2 4.34Å; L1207-L1240 HydrophobicContact CD2-CD1 3.91Å; L1207-L1240 HydrophobicContact CD2-CG 4.21Å |
| 1208 | S | 84.6 | Confident | 88.7 | Confident | 95 Ų | 95 | 33 Ų | 33 | 66% | 0.664 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -76.2 | -38.5 | 179.2 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | K1204 T1205 | K1204-S1208 PolarHBondContact O-N 2.98Å; K1204-S1208 PolarHBondContact O-OG 3.35Å; T1205-S1208 WeakPolarHBondContact CA-OG 3.49Å; T1205-S1208 PolarHBondContact O-N 3.07Å; T1205-S1208 PolarHBondContact O-OG 3.3Å |
| 1209 | D | 86.9 | Confident | 89.4 | Confident | 57 Ų | 57 | 29.1 Ų | 29.1 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -130.5 | 90 | 175.5 | 178 | 57 | 0 | 0 | 0 | 108.8 | A798 R824 T1205 I1206 | A798-D1209 VanDerWaalsContact CB-OD2 3.28Å; A798-D1209 WeakPolarHBondContact CB-OD2 3.48Å; R824-D1209 IonicContact CZ-OD2 3.88Å; R824-D1209 PolarHBondContact NH2-O 3.14Å; R824-D1209 IonicContact NH2-OD2 3.09Å; R824-D1209 PolarHBondContact NH2-OD2 3.35Å; T1205-D1209 PolarHBondContact O-N 3.01Å; I1206-D1209 CarbonylContact O-C 3.58Å; I1206-D1209 VanDerWaalsContact O-C 3.28Å |
| 1210 | P | 91.7 | Very high | 89.7 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 10% | 0.104 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -76 | 139.5 | 177.7 | -13 | 28.8 | 0 | 0 | 0 | 110 | I1206 T1235 P1236 V1238 | I1206-P1210 WeakPolarHBondContact O-CA 3.43Å; I1206-P1210 WeakPolarHBondContact O-CG 3.38Å; I1206-P1210 VanDerWaalsContact O-N 3.13Å; P1210-T1235 HydrophobicContact CB-CG2 3.77Å; P1210-T1235 HydrophobicContact CG-CG2 3.49Å; P1210-T1235 VanDerWaalsContact CG-CG2 3.49Å; P1210-P1236 HydrophobicContact CB-CG 4.04Å; P1210-V1238 HydrophobicContact CB-CG2 3.54Å; P1210-V1238 HydrophobicContact CG-CG2 3.47Å; P1210-V1238 VanDerWaalsContact CG-CG2 3.47Å |
| 1211 | P | 92.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 141 | 168.6 | 15.7 | -15.7 | 0 | 0 | 0 | 109.7 | F1170 Q1171 M1199 P1236 | F1170-P1211 HydrophobicContact CE2-CB 4Å; F1170-P1211 HydrophobicContact CE2-CG 3.84Å; F1170-P1211 WeakPolarHBondContact CE2-O 3.36Å; F1170-P1211 HydrophobicContact CZ-CB 4.36Å; F1170-P1211 HydrophobicContact CZ-CG 3.72Å; Q1171-P1211 VanDerWaalsContact NE2-CB 3.26Å; Q1171-P1211 VanDerWaalsContact NE2-CG 3.35Å; M1199-P1211 HydrophobicContact SD-CG 3.95Å; P1211-P1236 VanDerWaalsContact O-CD 3.23Å; P1211-P1236 WeakPolarHBondContact O-CD 3.24Å |
| 1212 | P | 94.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 147.8 | -179.4 | 30.1 | -34.1 | 0 | 0 | 0 | 111.3 | T800 Q1233 I1234 | T800-P1212 HydrophobicContact CG2-CG 3.79Å; T800-P1212 VanDerWaalsContact OG1-CD 3.25Å; T800-P1212 WeakPolarHBondContact OG1-CD 3.05Å; P1212-Q1233 HydrophobicContact CB-CB 4.23Å; P1212-I1234 CarbonylContact C-O 3.58Å; P1212-I1234 WeakPolarHBondContact CA-O 3.48Å |
| 1213 | V | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.8 | 166.4 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | L1143 C1168 F1170 I1215 Q1233 I1234 P1236 F1269 | L1143-V1213 HydrophobicContact CD1-CG2 4.17Å; L1143-V1213 HydrophobicContact CD2-CG2 3.92Å; C1168-V1213 WeakPolarHBondContact SG-CG1 3.33Å; F1170-V1213 HydrophobicContact CD2-CB 4.44Å; F1170-V1213 HydrophobicContact CD2-CG2 3.74Å; F1170-V1213 HydrophobicContact CE2-CG2 4.18Å; F1170-V1213 HydrophobicContact CG-CG2 4.49Å; V1213-I1215 HydrophobicContact CG1-CD1 3.92Å; V1213-I1215 HydrophobicContact CG1-CG1 4.43Å; V1213-Q1233 WeakPolarHBondContact O-CA 3.38Å; V1213-I1234 PolarHBondContact N-O 3.49Å; V1213-I1234 PolarHBondContact O-N 2.75Å; V1213-P1236 HydrophobicContact CG2-CB 4.25Å; V1213-P1236 HydrophobicContact CG2-CG 4.23Å; V1213-F1269 HydrophobicContact CB-CD1 4.26Å; V1213-F1269 HydrophobicContact CB-CE1 4.49Å; V1213-F1269 HydrophobicContact CG1-CD1 3.98Å; V1213-F1269 HydrophobicContact CG1-CE1 3.89Å; V1213-F1269 HydrophobicContact CG2-CD1 4.12Å |
| 1214 | M | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.1 | 174.2 | -71 | -55.6 | -52 | 0 | 0 | 110.2 | I819 Q822 C1168 S1169 R1231 Q1233 | I819-M1214 HydrophobicContact CD1-CE 4.33Å; Q822-M1214 PolarHBondContact NE2-SD 3.31Å; C1168-M1214 CarbonylContact C-O 3.52Å; C1168-M1214 WeakPolarHBondContact CA-O 3.45Å; S1169-M1214 PolarHBondContact N-O 2.97Å; S1169-M1214 WeakPolarHBondContact O-CB 3.12Å; S1169-M1214 PolarHBondContact O-N 3.38Å; M1214-R1231 VanDerWaalsContact CE-CD 3.47Å; M1214-R1231 HydrophobicContact CE-CG 3.54Å; M1214-Q1233 HydrophobicContact CE-CG 3.88Å; M1214-Q1233 HydrophobicContact SD-CB 4.23Å; M1214-Q1233 VanDerWaalsContact SD-CD 3.56Å; M1214-Q1233 HydrophobicContact SD-CG 3.44Å; M1214-Q1233 WeakPolarHBondContact SD-CG 3.48Å; M1214-Q1233 PolarHBondContact SD-NE2 2.99Å |
| 1215 | I | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.8 | 174.8 | -57.9 | -61.7 | 0 | 0 | 0 | 108.5 | I1147 V1166 C1168 V1213 R1231 L1232 I1234 I1265 F1269 | I1147-I1215 HydrophobicContact CD1-CD1 4.46Å; V1166-I1215 HydrophobicContact CG1-CD1 4.45Å; V1166-I1215 HydrophobicContact CG1-CG2 3.72Å; C1168-I1215 HydrophobicContact CB-CD1 3.82Å; C1168-I1215 VanDerWaalsContact SG-CD1 3.55Å; V1213-I1215 HydrophobicContact CG1-CD1 3.92Å; V1213-I1215 HydrophobicContact CG1-CG1 4.43Å; I1215-R1231 CarbonylContact O-C 3.5Å; I1215-R1231 WeakPolarHBondContact O-CA 3.27Å; I1215-R1231 WeakPolarHBondContact O-CG 3.39Å; I1215-L1232 HydrophobicContact CB-CD2 3.66Å; I1215-L1232 HydrophobicContact CB-CG 4.03Å; I1215-L1232 HydrophobicContact CG2-CD2 3.64Å; I1215-L1232 HydrophobicContact CG2-CG 4.48Å; I1215-L1232 PolarHBondContact N-O 3.06Å; I1215-L1232 PolarHBondContact O-N 3.23Å; I1215-I1234 HydrophobicContact CG1-CD1 4.2Å; I1215-I1265 HydrophobicContact CG2-CD1 4.12Å; I1215-F1269 HydrophobicContact CD1-CE1 3.69Å; I1215-F1269 HydrophobicContact CD1-CZ 3.7Å; I1215-F1269 HydrophobicContact CG1-CE1 4.31Å; I1215-F1269 HydrophobicContact CG1-CZ 3.91Å |
| 1216 | E | 94.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134 | 174 | -64.8 | 174.3 | 132.8 | 0 | 0 | 109.2 | Y614 V1166 R1167 F1218 F1228 R1231 | Y614-E1216 VanDerWaalsContact OH-CD 3.26Å; Y614-E1216 PolarHBondContact OH-OE1 3.29Å; Y614-E1216 PolarHBondContact OH-OE2 2.98Å; V1166-E1216 WeakPolarHBondContact CA-O 3.45Å; R1167-E1216 HydrophobicContact CB-CB 4.4Å; R1167-E1216 PolarHBondContact N-O 3.41Å; R1167-E1216 PolarHBondContact O-N 3.11Å; E1216-F1218 HydrophobicContact CB-CD2 4.21Å; E1216-F1218 HydrophobicContact CB-CE2 3.42Å; E1216-F1218 VanDerWaalsContact CB-CE2 3.42Å; E1216-F1218 HydrophobicContact CB-CZ 4.02Å; E1216-F1218 HydrophobicContact CG-CE2 4.41Å; E1216-F1228 HydrophobicContact CB-CE2 4.39Å; E1216-F1228 HydrophobicContact CG-CE2 4.39Å; E1216-R1231 HydrophobicContact CG-CB 4.28Å; E1216-R1231 HydrophobicContact CG-CG 4.03Å; E1216-R1231 IonicContact OE1-CZ 2.81Å; E1216-R1231 IonicContact OE1-NH1 3.24Å; E1216-R1231 PolarHBondContact OE1-NH1 2.99Å; E1216-R1231 IonicContact OE1-NH2 3.39Å; E1216-R1231 PolarHBondContact OE1-NH2 2.76Å |
| 1217 | L | 95 | Very high | 88.1 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132 | 178.1 | -170.9 | 73.1 | 0 | 0 | 0 | 109.5 | V1153 P1164 F1165 V1166 W1188 L1229 G1230 I1255 | V1153-L1217 HydrophobicContact CB-CD2 4.26Å; V1153-L1217 HydrophobicContact CG1-CD2 3.56Å; V1153-L1217 HydrophobicContact CG2-CD2 3.73Å; P1164-L1217 HydrophobicContact CB-CD1 4.29Å; F1165-L1217 WeakPolarHBondContact O-CD1 3.25Å; V1166-L1217 HydrophobicContact CG2-CD1 3.53Å; W1188-L1217 HydrophobicContact CH2-CD1 3.78Å; W1188-L1217 HydrophobicContact CZ2-CD1 4.1Å; L1217-L1229 HydrophobicContact CB-CB 4.3Å; L1217-L1229 HydrophobicContact CD2-CB 4.15Å; L1217-L1229 HydrophobicContact CD2-CD1 4.18Å; L1217-L1229 HydrophobicContact CG-CB 4.18Å; L1217-L1229 HydrophobicContact CG-CD1 4.18Å; L1217-L1229 WeakPolarHBondContact O-CA 3.42Å; L1217-L1229 WeakPolarHBondContact O-CB 3.12Å; L1217-L1229 PolarHBondContact O-N 3.26Å; L1217-G1230 PolarHBondContact N-O 3.02Å; L1217-G1230 PolarHBondContact O-N 2.89Å; L1217-I1255 HydrophobicContact CB-CD1 4.29Å; L1217-I1255 HydrophobicContact CD2-CD1 3.65Å |
| 1218 | F | 93.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.4 | -178 | -67.4 | -86.6 | 0 | 0 | 0 | 111.2 | W817 P1164 F1165 R1167 E1216 D1226 H1227 F1228 | W817-F1218 HydrophobicContact CE3-CE1 4.47Å; W817-F1218 HydrophobicContact CE3-CZ 4.44Å; W817-F1218 AromaticContact CH2-CE1 3.46Å; W817-F1218 HydrophobicContact CH2-CE1 3.46Å; W817-F1218 VanDerWaalsContact CH2-CE1 3.46Å; W817-F1218 AromaticContact CH2-CZ 3.55Å; W817-F1218 HydrophobicContact CH2-CZ 3.55Å; W817-F1218 AromaticContact CZ2-CE1 3.81Å; W817-F1218 HydrophobicContact CZ2-CE1 3.81Å; W817-F1218 HydrophobicContact CZ2-CZ 4.35Å; W817-F1218 AromaticContact CZ3-CE1 3.83Å; W817-F1218 HydrophobicContact CZ3-CE1 3.83Å; W817-F1218 AromaticContact CZ3-CZ 3.59Å; W817-F1218 HydrophobicContact CZ3-CZ 3.59Å; P1164-F1218 CarbonylContact C-O 3.44Å; P1164-F1218 WeakPolarHBondContact CA-O 3.25Å; F1165-F1218 HydrophobicContact CD1-CB 4Å; F1165-F1218 HydrophobicContact CE1-CB 3.41Å; F1165-F1218 VanDerWaalsContact CE1-CB 3.41Å; F1165-F1218 HydrophobicContact CE1-CG 4.4Å; F1165-F1218 HydrophobicContact CE2-CB 4.12Å; F1165-F1218 HydrophobicContact CE2-CD2 4.17Å; F1165-F1218 HydrophobicContact CE2-CG 4.46Å; F1165-F1218 HydrophobicContact CZ-CB 3.49Å; F1165-F1218 VanDerWaalsContact CZ-CB 3.49Å; F1165-F1218 HydrophobicContact CZ-CD2 4.16Å; F1165-F1218 HydrophobicContact CZ-CG 4.01Å; F1165-F1218 PolarHBondContact N-O 3.4Å; F1165-F1218 PolarHBondContact O-N 3.02Å; R1167-F1218 HydrophobicContact CB-CD2 4.31Å; R1167-F1218 HydrophobicContact CB-CE2 4.08Å; E1216-F1218 HydrophobicContact CB-CD2 4.21Å; E1216-F1218 HydrophobicContact CB-CE2 3.42Å; E1216-F1218 VanDerWaalsContact CB-CE2 3.42Å; E1216-F1218 HydrophobicContact CB-CZ 4.02Å; E1216-F1218 HydrophobicContact CG-CE2 4.41Å; F1218-D1226 HydrophobicContact CB-CB 4.23Å; F1218-D1226 HydrophobicContact CD1-CB 4.23Å; F1218-H1227 CarbonylContact C-O 3.54Å; F1218-H1227 WeakPolarHBondContact CA-O 3.22Å; F1218-F1228 HydrophobicContact CD1-CB 4.14Å; F1218-F1228 HydrophobicContact CD1-CD2 4.32Å; F1218-F1228 HydrophobicContact CE1-CB 3.89Å; F1218-F1228 AromaticContact CE1-CD2 3.7Å; F1218-F1228 HydrophobicContact CE1-CD2 3.7Å; F1218-F1228 HydrophobicContact CE1-CG 4.29Å; F1218-F1228 AromaticContact CZ-CD2 3.87Å; F1218-F1228 HydrophobicContact CZ-CD2 3.87Å |
| 1219 | D | 93.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 122.9 | 164.6 | 175.2 | 69.6 | 0 | 0 | 0 | 108.5 | A1156 S1162 D1163 D1226 H1227 L1229 | A1156-D1219 HydrophobicContact CB-CB 3.75Å; A1156-D1219 WeakPolarHBondContact CB-OD2 3.31Å; S1162-D1219 WeakPolarHBondContact CA-OD1 3.2Å; S1162-D1219 WeakPolarHBondContact CB-OD1 3.43Å; S1162-D1219 PolarHBondContact OG-OD1 2.9Å; D1163-D1219 PolarHBondContact N-OD1 2.94Å; D1219-D1226 CarbonylContact O-C 3.49Å; D1219-D1226 VanDerWaalsContact O-CA 3.27Å; D1219-D1226 WeakPolarHBondContact O-CA 3.16Å; D1219-D1226 WeakPolarHBondContact O-CB 3.23Å; D1219-H1227 HydrophobicContact CB-CB 4.09Å; D1219-H1227 PolarHBondContact N-O 2.74Å; D1219-H1227 PolarHBondContact O-N 3.14Å; D1219-L1229 HydrophobicContact CB-CD1 4.01Å; D1219-L1229 HydrophobicContact CB-CD2 4Å; D1219-L1229 HydrophobicContact CB-CG 4.12Å |
| 1220 | Y | 92.2 | Very high | 88.7 | Confident | 84 Ų | 84 | 39.7 Ų | 39.7 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | trans | -76.6 | 131.9 | -179 | 172.4 | -99.7 | 0 | 0 | 0 | 111.7 | D1163 I1179 Q1222 D1226 | D1163-Y1220 PolarHBondContact O-N 2.78Å; I1179-Y1220 HydrophobicContact CD1-CD1 3.95Å; I1179-Y1220 HydrophobicContact CD1-CD2 3.53Å; I1179-Y1220 HydrophobicContact CD1-CE1 4.38Å; I1179-Y1220 HydrophobicContact CD1-CE2 4Å; I1179-Y1220 HydrophobicContact CD1-CG 3.48Å; I1179-Y1220 VanDerWaalsContact CD1-CG 3.48Å; I1179-Y1220 HydrophobicContact CG1-CD2 4.48Å; I1179-Y1220 HydrophobicContact CG1-CG 4.19Å; I1179-Y1220 HydrophobicContact CG2-CD1 4.34Å; I1179-Y1220 HydrophobicContact CG2-CG 4.26Å; Y1220-Q1222 HydrophobicContact CE1-CB 4.48Å; Y1220-D1226 WeakPolarHBondContact CD2-OD1 3.32Å | ||
| 1221 | D | 84.1 | Confident | 88.8 | Confident | 43 Ų | 43 | 40.5 Ų | 40.5 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | trans | -122.9 | 121.3 | -177 | -105.3 | -36.7 | 0 | 0 | 0 | 110.5 | L1223 S1224 D1226 | D1221-L1223 PolarHBondContact O-N 2.8Å; D1221-S1224 WeakPolarHBondContact OD2-CB 3.34Å; D1221-S1224 PolarHBondContact OD2-OG 2.9Å; D1221-D1226 PolarHBondContact N-OD1 3.16Å | ||
| 1222 | Q | 77.4 | Confident | 88.8 | Confident | 167 Ų | 167 | 41.4 Ų | 41.4 | 78% | 0.78 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -69.8 | -34.4 | -176.7 | -171.3 | 178.1 | 15.7 | 0 | 0 | 114 | Y1220 | Y1220-Q1222 HydrophobicContact CE1-CB 4.48Š|
| 1223 | L | 74.9 | Confident | 88.7 | Confident | 178 Ų | 178 | 44.6 Ų | 44.6 | 93% | 0.932 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -112.6 | 5.7 | -173.1 | -65.6 | 173.8 | 0 | 0 | 0 | 113.2 | D1221 | D1221-L1223 PolarHBondContact O-N 2.8Š|
| 1224 | S | 69 | Low | 88.5 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -141.3 | 170.7 | -166.5 | 151.3 | 0 | 0 | 0 | 0 | 108.8 | D1221 | D1221-S1224 WeakPolarHBondContact OD2-CB 3.34Å; D1221-S1224 PolarHBondContact OD2-OG 2.9Å |
| 1225 | S | 79 | Confident | 88.3 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 72% | 0.72 | 26% | 0.259 | S | S | * | . | trans | -80.4 | 134.6 | 169.9 | 59.7 | 0 | 0 | 0 | 0 | 109.4 | H1227 | S1225-H1227 PolarHBondContact O-N 3.16Š| ||
| 1226 | D | 85.5 | Confident | 88.2 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | trans | -43.6 | 131.8 | 179.1 | -51.1 | -38 | 0 | 0 | 0 | 112.7 | F1165 F1218 D1219 Y1220 D1221 | F1165-D1226 HydrophobicContact CE1-CB 4.13Å; F1165-D1226 HydrophobicContact CZ-CB 4.19Å; F1218-D1226 HydrophobicContact CB-CB 4.23Å; F1218-D1226 HydrophobicContact CD1-CB 4.23Å; D1219-D1226 CarbonylContact O-C 3.49Å; D1219-D1226 VanDerWaalsContact O-CA 3.27Å; D1219-D1226 WeakPolarHBondContact O-CA 3.16Å; D1219-D1226 WeakPolarHBondContact O-CB 3.23Å; Y1220-D1226 WeakPolarHBondContact CD2-OD1 3.32Å; D1221-D1226 PolarHBondContact N-OD1 3.16Å | ||
| 1227 | H | 88.1 | Confident | 87.9 | Confident | 85 Ų | 85 | 51 Ų | 51 | 39% | 0.394 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.1 | -173.9 | -169.8 | 95 | 0 | 0 | 0 | 111 | A1156 F1218 D1219 S1225 L1229 K1257 | A1156-H1227 HydrophobicContact CB-CB 4.14Å; F1218-H1227 CarbonylContact C-O 3.54Å; F1218-H1227 WeakPolarHBondContact CA-O 3.22Å; D1219-H1227 HydrophobicContact CB-CB 4.09Å; D1219-H1227 PolarHBondContact N-O 2.74Å; D1219-H1227 PolarHBondContact O-N 3.14Å; S1225-H1227 PolarHBondContact O-N 3.16Å; H1227-L1229 PolarHBondContact O-N 3.22Å; H1227-K1257 PolarHBondContact NE2-NZ 3.45Å; H1227-K1257 VanDerWaalsContact NE2-NZ 3.17Å |
| 1228 | F | 91 | Very high | 87.7 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 6% | 0.057 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.3 | -178.7 | 177.1 | -103.7 | 0 | 0 | 0 | 112.2 | W817 E1216 F1218 G1230 R1231 K1257 | W817-F1228 HydrophobicContact CB-CB 4.44Å; W817-F1228 HydrophobicContact CB-CD1 3.36Å; W817-F1228 HydrophobicContact CB-CD2 4.49Å; W817-F1228 HydrophobicContact CB-CE1 3.56Å; W817-F1228 HydrophobicContact CB-CG 3.86Å; W817-F1228 HydrophobicContact CB-CZ 4.2Å; W817-F1228 HydrophobicContact CD2-CB 3.69Å; W817-F1228 HydrophobicContact CD2-CD1 4.11Å; W817-F1228 AromaticContact CD2-CD2 3.83Å; W817-F1228 HydrophobicContact CD2-CD2 3.83Å; W817-F1228 HydrophobicContact CD2-CE2 4.46Å; W817-F1228 AromaticContact CD2-CG 3.61Å; W817-F1228 HydrophobicContact CD2-CG 3.61Å; W817-F1228 HydrophobicContact CE3-CB 4.27Å; W817-F1228 HydrophobicContact CE3-CD1 4.48Å; W817-F1228 AromaticContact CE3-CD2 3.56Å; W817-F1228 HydrophobicContact CE3-CD2 3.56Å; W817-F1228 AromaticContact CE3-CE2 3.91Å; W817-F1228 HydrophobicContact CE3-CE2 3.91Å; W817-F1228 AromaticContact CE3-CG 3.86Å; W817-F1228 HydrophobicContact CE3-CG 3.86Å; W817-F1228 HydrophobicContact CE3-CZ 4.49Å; W817-F1228 HydrophobicContact CG-CB 3.73Å; W817-F1228 AromaticContact CG-CD1 3.62Å; W817-F1228 HydrophobicContact CG-CD1 3.62Å; W817-F1228 HydrophobicContact CG-CD2 4.24Å; W817-F1228 HydrophobicContact CG-CE1 4.24Å; W817-F1228 AromaticContact CG-CG 3.6Å; W817-F1228 HydrophobicContact CG-CG 3.6Å; W817-F1228 HydrophobicContact CZ2-CB 4.4Å; W817-F1228 HydrophobicContact CZ3-CD2 4.09Å; E1216-F1228 HydrophobicContact CB-CE2 4.39Å; E1216-F1228 HydrophobicContact CG-CE2 4.39Å; F1218-F1228 HydrophobicContact CD1-CB 4.14Å; F1218-F1228 HydrophobicContact CD1-CD2 4.32Å; F1218-F1228 HydrophobicContact CE1-CB 3.89Å; F1218-F1228 AromaticContact CE1-CD2 3.7Å; F1218-F1228 HydrophobicContact CE1-CD2 3.7Å; F1218-F1228 HydrophobicContact CE1-CG 4.29Å; F1218-F1228 AromaticContact CZ-CD2 3.87Å; F1218-F1228 HydrophobicContact CZ-CD2 3.87Å; F1228-G1230 VanDerWaalsContact CE2-C 3.43Å; F1228-G1230 WeakPolarHBondContact CE2-O 3.21Å; F1228-G1230 WeakPolarHBondContact CZ-O 3.47Å; F1228-R1231 HydrophobicContact CE2-CB 3.99Å; F1228-R1231 HydrophobicContact CZ-CB 3.67Å; F1228-K1257 HydrophobicContact CD1-CG 4.46Å; F1228-K1257 HydrophobicContact CE1-CG 4.33Å; F1228-K1257 WeakPolarHBondContact O-CE 3.41Å; F1228-K1257 PolarHBondContact O-NZ 2.96Å |
| 1229 | L | 89.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -25 | -179.7 | -55.3 | -176.9 | 0 | 0 | 0 | 112.7 | V1153 L1154 A1156 L1217 D1219 H1227 | V1153-L1229 HydrophobicContact CG1-CD1 3.44Å; V1153-L1229 VanDerWaalsContact CG1-CD1 3.44Å; L1154-L1229 HydrophobicContact CB-CB 4.37Å; L1154-L1229 HydrophobicContact CB-CD2 3.98Å; L1154-L1229 WeakPolarHBondContact CD1-O 3.48Å; L1154-L1229 WeakPolarHBondContact O-CD2 3.46Å; A1156-L1229 HydrophobicContact CB-CD2 3.91Å; L1217-L1229 HydrophobicContact CB-CB 4.3Å; L1217-L1229 HydrophobicContact CD2-CB 4.15Å; L1217-L1229 HydrophobicContact CD2-CD1 4.18Å; L1217-L1229 HydrophobicContact CG-CB 4.18Å; L1217-L1229 HydrophobicContact CG-CD1 4.18Å; L1217-L1229 WeakPolarHBondContact O-CA 3.42Å; L1217-L1229 WeakPolarHBondContact O-CB 3.12Å; L1217-L1229 PolarHBondContact O-N 3.26Å; D1219-L1229 HydrophobicContact CB-CD1 4.01Å; D1219-L1229 HydrophobicContact CB-CD2 4Å; D1219-L1229 HydrophobicContact CB-CG 4.12Å; H1227-L1229 PolarHBondContact O-N 3.22Å |
| 1230 | G | 92.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.3 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1217 F1228 I1255 E1256 | L1217-G1230 PolarHBondContact N-O 3.02Å; L1217-G1230 PolarHBondContact O-N 2.89Å; F1228-G1230 VanDerWaalsContact CE2-C 3.43Å; F1228-G1230 WeakPolarHBondContact CE2-O 3.21Å; F1228-G1230 WeakPolarHBondContact CZ-O 3.47Å; G1230-I1255 VanDerWaalsContact C-CG2 3.44Å; G1230-E1256 VanDerWaalsContact CA-O 3.26Å; G1230-E1256 WeakPolarHBondContact CA-O 3.47Å |
| 1231 | R | 93.7 | Very high | 86.7 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 156.5 | -174.3 | 175.7 | -156.7 | -54.3 | -86.2 | -6.2 | 111.2 | W817 M1214 I1215 E1216 F1228 E1256 | W817-R1231 PolarHBondContact O-NH2 3.43Å; M1214-R1231 VanDerWaalsContact CE-CD 3.47Å; M1214-R1231 HydrophobicContact CE-CG 3.54Å; I1215-R1231 CarbonylContact O-C 3.5Å; I1215-R1231 WeakPolarHBondContact O-CA 3.27Å; I1215-R1231 WeakPolarHBondContact O-CG 3.39Å; E1216-R1231 HydrophobicContact CG-CB 4.28Å; E1216-R1231 HydrophobicContact CG-CG 4.03Å; E1216-R1231 IonicContact OE1-CZ 2.81Å; E1216-R1231 IonicContact OE1-NH1 3.24Å; E1216-R1231 PolarHBondContact OE1-NH1 2.99Å; E1216-R1231 IonicContact OE1-NH2 3.39Å; E1216-R1231 PolarHBondContact OE1-NH2 2.76Å; F1228-R1231 HydrophobicContact CE2-CB 3.99Å; F1228-R1231 HydrophobicContact CZ-CB 3.67Å; R1231-E1256 PolarHBondContact N-O 3.31Å; R1231-E1256 PolarHBondContact O-N 2.94Å; R1231-E1256 VanDerWaalsContact O-N 3.08Å |
| 1232 | L | 93.4 | Very high | 86.4 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 164.7 | 165.4 | 63.3 | 165.5 | 0 | 0 | 0 | 111.9 | I1215 I1234 Y1253 I1255 I1265 | I1215-L1232 HydrophobicContact CB-CD2 3.66Å; I1215-L1232 HydrophobicContact CB-CG 4.03Å; I1215-L1232 HydrophobicContact CG2-CD2 3.64Å; I1215-L1232 HydrophobicContact CG2-CG 4.48Å; I1215-L1232 PolarHBondContact N-O 3.06Å; I1215-L1232 PolarHBondContact O-N 3.23Å; L1232-I1234 HydrophobicContact CD1-CD1 3.68Å; L1232-I1234 HydrophobicContact CD1-CG1 3.87Å; L1232-I1234 HydrophobicContact CG-CD1 4.27Å; L1232-I1234 HydrophobicContact CG-CG1 4.28Å; L1232-Y1253 HydrophobicContact CD1-CG 4.12Å; L1232-I1255 HydrophobicContact CD2-CG1 3.97Å; L1232-I1265 HydrophobicContact CD1-CG2 4Å; L1232-I1265 HydrophobicContact CD2-CG2 4.24Å |
| 1233 | Q | 91.8 | Very high | 86.2 | Confident | 87 Ų | 87 | 52 Ų | 52 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.7 | 172.8 | -48.5 | -161.2 | -105.9 | 0 | 0 | 109.1 | N802 P1212 V1213 M1214 | N802-Q1233 PolarHBondContact ND2-OE1 2.69Å; N802-Q1233 VanDerWaalsContact ND2-OE1 3.14Å; P1212-Q1233 HydrophobicContact CB-CB 4.23Å; V1213-Q1233 WeakPolarHBondContact O-CA 3.38Å; M1214-Q1233 HydrophobicContact CE-CG 3.88Å; M1214-Q1233 HydrophobicContact SD-CB 4.23Å; M1214-Q1233 VanDerWaalsContact SD-CD 3.56Å; M1214-Q1233 HydrophobicContact SD-CG 3.44Å; M1214-Q1233 WeakPolarHBondContact SD-CG 3.48Å; M1214-Q1233 PolarHBondContact SD-NE2 2.99Å |
| 1234 | I | 90.6 | Very high | 85.8 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134 | -177.4 | -59.9 | 172.5 | 0 | 0 | 0 | 110.1 | P1212 V1213 I1215 L1232 Y1253 F1269 | P1212-I1234 CarbonylContact C-O 3.58Å; P1212-I1234 WeakPolarHBondContact CA-O 3.48Å; V1213-I1234 PolarHBondContact N-O 3.49Å; V1213-I1234 PolarHBondContact O-N 2.75Å; I1215-I1234 HydrophobicContact CG1-CD1 4.2Å; L1232-I1234 HydrophobicContact CD1-CD1 3.68Å; L1232-I1234 HydrophobicContact CD1-CG1 3.87Å; L1232-I1234 HydrophobicContact CG-CD1 4.27Å; L1232-I1234 HydrophobicContact CG-CG1 4.28Å; I1234-Y1253 HydrophobicContact CD1-CD1 4.13Å; I1234-Y1253 HydrophobicContact CD1-CD2 3.6Å; I1234-Y1253 HydrophobicContact CD1-CE1 4.43Å; I1234-Y1253 HydrophobicContact CD1-CE2 3.9Å; I1234-Y1253 HydrophobicContact CD1-CG 3.71Å; I1234-Y1253 HydrophobicContact CG1-CD1 4.13Å; I1234-Y1253 HydrophobicContact CG1-CD2 4.46Å; I1234-Y1253 HydrophobicContact CG1-CE1 4.37Å; I1234-Y1253 HydrophobicContact CG1-CG 4.19Å; I1234-Y1253 HydrophobicContact CG2-CE1 4.11Å; I1234-Y1253 HydrophobicContact CG2-CE2 4.42Å; I1234-F1269 HydrophobicContact CB-CD2 4.31Å; I1234-F1269 HydrophobicContact CB-CE2 4.27Å; I1234-F1269 HydrophobicContact CD1-CD2 4.15Å; I1234-F1269 HydrophobicContact CD1-CE2 3.35Å; I1234-F1269 HydrophobicContact CD1-CZ 3.87Å; I1234-F1269 HydrophobicContact CG1-CE2 4.41Å; I1234-F1269 HydrophobicContact CG2-CD2 3.67Å; I1234-F1269 HydrophobicContact CG2-CE2 3.99Å; I1234-F1269 HydrophobicContact CG2-CG 4.49Å |
| 1235 | T | 89.3 | Confident | 85.4 | Confident | 91 Ų | 91 | 49.6 Ų | 49.6 | 56% | 0.558 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 121.1 | 173.6 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | P1210 | P1210-T1235 HydrophobicContact CB-CG2 3.77Å; P1210-T1235 HydrophobicContact CG-CG2 3.49Å; P1210-T1235 VanDerWaalsContact CG-CG2 3.49Å |
| 1236 | P | 92.8 | Very high | 84.4 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 151.9 | -179.8 | 30.8 | -35.7 | 0 | 0 | 0 | 112.4 | L1143 F1170 P1210 P1211 V1213 V1238 F1269 L1271 | L1143-P1236 HydrophobicContact CD1-CB 4.09Å; F1170-P1236 HydrophobicContact CE2-CG 4.49Å; P1210-P1236 HydrophobicContact CB-CG 4.04Å; P1211-P1236 VanDerWaalsContact O-CD 3.23Å; P1211-P1236 WeakPolarHBondContact O-CD 3.24Å; V1213-P1236 HydrophobicContact CG2-CB 4.25Å; V1213-P1236 HydrophobicContact CG2-CG 4.23Å; P1236-V1238 PolarHBondContact O-N 2.55Å; P1236-F1269 HydrophobicContact CB-CB 3.91Å; P1236-L1271 HydrophobicContact CB-CB 4.15Å; P1236-L1271 HydrophobicContact CG-CB 4.2Å; P1236-L1271 HydrophobicContact CG-CD2 4.42Å |
| 1237 | A | 89.4 | Confident | 83.2 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 116.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | F1269 E1270 L1271 | A1237-F1269 WeakPolarHBondContact CB-O 3.4Å; A1237-F1269 PolarHBondContact N-O 2.92Å; A1237-E1270 CarbonylContact O-C 3.41Å; A1237-E1270 VanDerWaalsContact O-CA 3.31Å; A1237-E1270 WeakPolarHBondContact O-CA 3.43Å; A1237-L1271 PolarHBondContact O-N 3.21Å |
| 1238 | V | 91.1 | Very high | 82.3 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136.7 | -173.1 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | W1141 I1206 L1207 P1210 P1236 L1240 L1271 | W1141-V1238 HydrophobicContact CH2-CG1 3.82Å; W1141-V1238 HydrophobicContact CZ3-CG1 3.56Å; I1206-V1238 HydrophobicContact CG2-CG1 4.34Å; L1207-V1238 HydrophobicContact CB-CG1 4.21Å; L1207-V1238 HydrophobicContact CD1-CB 3.73Å; L1207-V1238 HydrophobicContact CD1-CG1 4.07Å; L1207-V1238 WeakPolarHBondContact CD1-O 3.24Å; P1210-V1238 HydrophobicContact CB-CG2 3.54Å; P1210-V1238 HydrophobicContact CG-CG2 3.47Å; P1210-V1238 VanDerWaalsContact CG-CG2 3.47Å; P1236-V1238 PolarHBondContact O-N 2.55Å; V1238-L1240 HydrophobicContact CG1-CD2 4.48Å; V1238-L1271 CarbonylContact C-O 3.52Å; V1238-L1271 WeakPolarHBondContact CA-O 3.13Å; V1238-L1271 HydrophobicContact CG1-CD2 4.48Å; V1238-L1271 HydrophobicContact CG2-CB 4.29Å; V1238-L1271 HydrophobicContact CG2-CD2 4.07Å |
| 1239 | R | 87.6 | Confident | 81.7 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 8% | 0.075 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.7 | 177.2 | -70.3 | 176.5 | 51 | -163.5 | -9.3 | 111 | D1241 T1242 T1244 L1271 L1273 | R1239-D1241 VanDerWaalsContact C-N 3.34Å; R1239-D1241 PolarHBondContact NH2-O 3.05Å; R1239-T1242 PolarHBondContact NH2-O 3.05Å; R1239-T1244 PolarHBondContact NE-O 2.81Å; R1239-T1244 VanDerWaalsContact NE-O 3.14Å; R1239-T1244 PolarHBondContact NH1-O 2.87Å; R1239-T1244 PolarHBondContact NH2-O 2.82Å; R1239-L1271 PolarHBondContact N-O 2.75Å; R1239-L1273 PolarHBondContact O-N 3.04Å |
| 1240 | L | 88.6 | Confident | 81.5 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -90 | -0.5 | 179 | -56.3 | -172.8 | 0 | 0 | 0 | 113.4 | W1141 P1203 K1204 L1207 V1238 L1273 | W1141-L1240 HydrophobicContact CH2-CD2 3.77Å; W1141-L1240 HydrophobicContact CZ3-CD2 4.34Å; P1203-L1240 HydrophobicContact CB-CD2 3.66Å; P1203-L1240 WeakPolarHBondContact O-CD2 3.26Å; K1204-L1240 HydrophobicContact CG-CD1 4.22Å; L1207-L1240 HydrophobicContact CB-CD2 4.34Å; L1207-L1240 HydrophobicContact CD2-CD1 3.91Å; L1207-L1240 HydrophobicContact CD2-CG 4.21Å; V1238-L1240 HydrophobicContact CG1-CD2 4.48Å; L1240-L1273 HydrophobicContact CD2-CD2 4.46Å |
| 1241 | D | 82.4 | Confident | 81.2 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | trans | -143.3 | 154.7 | 179.4 | 74.6 | 91.1 | 0 | 0 | 0 | 112.3 | R1239 E1243 T1244 | R1239-D1241 VanDerWaalsContact C-N 3.34Å; R1239-D1241 PolarHBondContact NH2-O 3.05Å; D1241-E1243 PolarHBondContact OD1-N 3Å; D1241-T1244 VanDerWaalsContact OD1-CB 3.23Å; D1241-T1244 WeakPolarHBondContact OD1-CB 3.07Å; D1241-T1244 PolarHBondContact OD1-N 3.19Å; D1241-T1244 PolarHBondContact OD1-OG1 3.28Å; D1241-T1244 PolarHBondContact OD2-OG1 3.27Å | ||
| 1242 | T | 77.4 | Confident | 80.9 | Confident | 28 Ų | 28 | 60 Ų | 60 | 17% | 0.172 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -86.2 | -15 | -177.9 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | R1239 I1272 L1274 K1277 | R1239-T1242 PolarHBondContact NH2-O 3.05Å; T1242-I1272 HydrophobicContact CG2-CG2 4.19Å; T1242-L1274 HydrophobicContact CG2-CD2 3.92Å; T1242-K1277 HydrophobicContact CG2-CB 4.18Å; T1242-K1277 HydrophobicContact CG2-CD 4.26Å |
| 1243 | E | 72.3 | Confident | 80.7 | Confident | 157 Ų | 157 | 61.7 Ų | 61.7 | 73% | 0.734 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -91.9 | -34.7 | -168.6 | -67.5 | 178.1 | -163.7 | 0 | 0 | 113.3 | D1241 T1245 | D1241-E1243 PolarHBondContact OD1-N 3Å; E1243-T1245 PolarHBondContact O-N 2.9Å; E1243-T1245 VanDerWaalsContact O-N 3.07Å |
| 1244 | T | 67.2 | Low | 80.7 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | trans | -72.1 | 98.8 | -173.1 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | R1239 D1241 W1246 | R1239-T1244 PolarHBondContact NE-O 2.81Å; R1239-T1244 VanDerWaalsContact NE-O 3.14Å; R1239-T1244 PolarHBondContact NH1-O 2.87Å; R1239-T1244 PolarHBondContact NH2-O 2.82Å; D1241-T1244 VanDerWaalsContact OD1-CB 3.23Å; D1241-T1244 WeakPolarHBondContact OD1-CB 3.07Å; D1241-T1244 PolarHBondContact OD1-N 3.19Å; D1241-T1244 PolarHBondContact OD1-OG1 3.28Å; D1241-T1244 PolarHBondContact OD2-OG1 3.27Å; T1244-W1246 PolarHBondContact O-N 3.25Å | ||
| 1245 | T | 60.3 | Low | 80.7 | Confident | 131 Ų | 131 | 59.9 Ų | 59.9 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | trans | -73.5 | 116.8 | 176.3 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | E1243 | E1243-T1245 PolarHBondContact O-N 2.9Å; E1243-T1245 VanDerWaalsContact O-N 3.07Å | ||
| 1246 | W | 58.6 | Low | 80.6 | Confident | 156 Ų | 156 | 61.1 Ų | 61.1 | 59% | 0.591 | 32% | 0.324 | S | S | * | . | trans | -97.3 | 144.7 | 168.5 | -72.3 | 27.5 | 0 | 0 | 0 | 109.3 | T1244 N1248 | T1244-W1246 PolarHBondContact O-N 3.25Å; W1246-N1248 VanDerWaalsContact C-N 3.29Å; W1246-N1248 PolarHBondContact O-N 3.17Å; W1246-N1248 VanDerWaalsContact O-N 3.1Å | ||
| 1247 | A | 60.6 | Low | 80.2 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 70% | 0.702 | 33% | 0.333 | S | S | * | . | trans | -77.7 | 86.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | V1249 | A1247-V1249 WeakPolarHBondContact O-CG2 3.48Å; A1247-V1249 PolarHBondContact O-N 3.07Å | ||
| 1248 | N | 69 | Low | 79.4 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 10% | 0.096 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 124.9 | 168.9 | -82.9 | -35.1 | 0 | 0 | 0 | 108.2 | W1246 E1270 I1296 | W1246-N1248 VanDerWaalsContact C-N 3.29Å; W1246-N1248 PolarHBondContact O-N 3.17Å; W1246-N1248 VanDerWaalsContact O-N 3.1Å; N1248-E1270 PolarHBondContact ND2-OE2 2.91Å; N1248-I1296 HydrophobicContact CB-CD1 4.12Å |
| 1249 | V | 77.3 | Confident | 78.5 | Confident | 86 Ų | 86 | 77.4 Ų | 77.4 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -104 | 130 | -175.7 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | A1247 Y1368 | A1247-V1249 WeakPolarHBondContact O-CG2 3.48Å; A1247-V1249 PolarHBondContact O-N 3.07Å; V1249-Y1368 WeakPolarHBondContact CG1-OH 3.25Å |
| 1250 | L | 86.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 82.2 Ų | 82.2 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 138.9 | 176.5 | -67.9 | 168.8 | 0 | 0 | 0 | 110.6 | F1148 L1266 A1268 I1296 P1298 Y1368 | F1148-L1250 HydrophobicContact CB-CD1 3.9Å; F1148-L1250 HydrophobicContact CB-CD2 4.09Å; F1148-L1250 HydrophobicContact CD1-CD1 4.03Å; F1148-L1250 HydrophobicContact CD2-CD1 4.36Å; F1148-L1250 HydrophobicContact CG-CD1 3.84Å; L1250-L1266 HydrophobicContact CB-CD1 3.61Å; L1250-L1266 HydrophobicContact CB-CD2 4.43Å; L1250-L1266 HydrophobicContact CB-CG 3.87Å; L1250-L1266 HydrophobicContact CD1-CD2 4.39Å; L1250-L1266 HydrophobicContact CD1-CG 4.34Å; L1250-A1268 HydrophobicContact CD2-CB 4.05Å; L1250-I1296 HydrophobicContact CD1-CG2 4.37Å; L1250-I1296 HydrophobicContact CD2-CG2 4.01Å; L1250-I1296 HydrophobicContact CG-CG2 3.8Å; L1250-P1298 HydrophobicContact CD1-CG 4.31Å; L1250-Y1368 HydrophobicContact CB-CE1 3.95Å; L1250-Y1368 VanDerWaalsContact O-CE1 3.3Å; L1250-Y1368 WeakPolarHBondContact O-CE1 3.48Å; L1250-Y1368 PolarHBondContact O-OH 2.81Å |
| 1251 | Q | 85.8 | Confident | 77.3 | Confident | 106 Ų | 106 | 87.2 Ų | 87.2 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.9 | 178.4 | -65.9 | -177 | -2.7 | 0 | 0 | 111.8 | Y1253 L1266 A1267 | Q1251-Y1253 HydrophobicContact CB-CE1 4.5Å; Q1251-Y1253 HydrophobicContact CB-CE2 3.79Å; Q1251-Y1253 VanDerWaalsContact O-CD2 3.29Å; Q1251-Y1253 WeakPolarHBondContact O-CD2 3.47Å; Q1251-Y1253 WeakPolarHBondContact O-CE2 3.13Å; Q1251-Y1253 PolarHBondContact OE1-OH 2.84Å; Q1251-L1266 VanDerWaalsContact C-CD1 3.42Å; Q1251-L1266 WeakPolarHBondContact O-CA 3.39Å; Q1251-L1266 WeakPolarHBondContact O-CD1 3.38Å; Q1251-A1267 PolarHBondContact N-O 3.2Å; Q1251-A1267 PolarHBondContact O-N 3.08Å |
| 1252 | W | 87.3 | Confident | 77.3 | Confident | 46 Ų | 46 | 85 Ų | 85 | 17% | 0.174 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.9 | 172.9 | -73.6 | 106.1 | 0 | 0 | 0 | 110.5 | Q1149 R1151 E1264 I1265 L1266 I1367 | Q1149-W1252 HydrophobicContact CG-CH2 3.71Å; Q1149-W1252 HydrophobicContact CG-CZ2 4.29Å; Q1149-W1252 HydrophobicContact CG-CZ3 4.41Å; Q1149-W1252 VanDerWaalsContact NE2-CZ2 3.32Å; R1151-W1252 HydrophobicContact CB-CH2 3.97Å; R1151-W1252 HydrophobicContact CB-CZ3 4.13Å; R1151-W1252 HydrophobicContact CG-CE3 4.21Å; R1151-W1252 HydrophobicContact CG-CH2 3.68Å; R1151-W1252 HydrophobicContact CG-CZ2 4.45Å; R1151-W1252 HydrophobicContact CG-CZ3 3.55Å; W1252-E1264 HydrophobicContact CE3-CB 3.75Å; W1252-E1264 HydrophobicContact CZ3-CB 4.27Å; W1252-I1265 CarbonylContact C-O 3.49Å; W1252-I1265 WeakPolarHBondContact CA-O 3.24Å; W1252-I1265 VanDerWaalsContact CE3-C 3.49Å; W1252-L1266 HydrophobicContact CD2-CB 3.9Å; W1252-L1266 HydrophobicContact CD2-CD1 4.08Å; W1252-L1266 HydrophobicContact CD2-CG 4.46Å; W1252-L1266 HydrophobicContact CE3-CB 3.74Å; W1252-L1266 HydrophobicContact CG-CD1 4.1Å; W1252-L1266 HydrophobicContact CH2-CB 3.82Å; W1252-L1266 HydrophobicContact CZ2-CB 3.97Å; W1252-L1266 HydrophobicContact CZ2-CD2 3.97Å; W1252-L1266 HydrophobicContact CZ2-CG 4.43Å; W1252-L1266 HydrophobicContact CZ3-CB 3.69Å; W1252-I1367 PolarHBondContact NE1-O 2.66Å |
| 1253 | Y | 89.7 | Confident | 77.7 | Confident | 57 Ų | 57 | 84 Ų | 84 | 22% | 0.224 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.8 | 174.5 | -57.4 | -84.1 | 0 | 0 | 0 | 110.4 | L1232 I1234 Q1251 E1264 I1265 | L1232-Y1253 HydrophobicContact CD1-CG 4.12Å; I1234-Y1253 HydrophobicContact CD1-CD1 4.13Å; I1234-Y1253 HydrophobicContact CD1-CD2 3.6Å; I1234-Y1253 HydrophobicContact CD1-CE1 4.43Å; I1234-Y1253 HydrophobicContact CD1-CE2 3.9Å; I1234-Y1253 HydrophobicContact CD1-CG 3.71Å; I1234-Y1253 HydrophobicContact CG1-CD1 4.13Å; I1234-Y1253 HydrophobicContact CG1-CD2 4.46Å; I1234-Y1253 HydrophobicContact CG1-CE1 4.37Å; I1234-Y1253 HydrophobicContact CG1-CG 4.19Å; I1234-Y1253 HydrophobicContact CG2-CE1 4.11Å; I1234-Y1253 HydrophobicContact CG2-CE2 4.42Å; Q1251-Y1253 HydrophobicContact CB-CE1 4.5Å; Q1251-Y1253 HydrophobicContact CB-CE2 3.79Å; Q1251-Y1253 VanDerWaalsContact O-CD2 3.29Å; Q1251-Y1253 WeakPolarHBondContact O-CD2 3.47Å; Q1251-Y1253 WeakPolarHBondContact O-CE2 3.13Å; Q1251-Y1253 PolarHBondContact OE1-OH 2.84Å; Y1253-E1264 CarbonylContact O-C 3.59Å; Y1253-E1264 VanDerWaalsContact O-CA 3.23Å; Y1253-E1264 WeakPolarHBondContact O-CA 3.3Å; Y1253-I1265 PolarHBondContact N-O 2.85Å; Y1253-I1265 PolarHBondContact O-N 3.3Å |
| 1254 | T | 90.2 | Very high | 78.6 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.8 | 178 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | K1261 | T1254-K1261 HydrophobicContact CG2-CD 4.45Å; T1254-K1261 HydrophobicContact CG2-CG 4.1Å |
| 1255 | I | 91.3 | Very high | 79.8 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.2 | 175.1 | -51.7 | -179.4 | 0 | 0 | 0 | 108.2 | L1217 G1230 L1232 G1262 G1263 I1265 | L1217-I1255 HydrophobicContact CB-CD1 4.29Å; L1217-I1255 HydrophobicContact CD2-CD1 3.65Å; G1230-I1255 VanDerWaalsContact C-CG2 3.44Å; L1232-I1255 HydrophobicContact CD2-CG1 3.97Å; I1255-G1262 PolarHBondContact O-N 2.67Å; I1255-G1263 PolarHBondContact N-O 2.91Å; I1255-I1265 HydrophobicContact CD1-CB 4.21Å; I1255-I1265 HydrophobicContact CG1-CB 4.47Å; I1255-I1265 HydrophobicContact CG1-CG2 4.39Å |
| 1256 | E | 87.3 | Confident | 81.2 | Confident | 116 Ų | 116 | 69.2 Ų | 69.2 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.1 | -179.8 | -63.8 | -170.3 | 169.2 | 0 | 0 | 113 | G1230 R1231 K1260 | G1230-E1256 VanDerWaalsContact CA-O 3.26Å; G1230-E1256 WeakPolarHBondContact CA-O 3.47Å; R1231-E1256 PolarHBondContact N-O 3.31Å; R1231-E1256 PolarHBondContact O-N 2.94Å; R1231-E1256 VanDerWaalsContact O-N 3.08Å; E1256-K1260 WeakPolarHBondContact CA-O 3.14Å |
| 1257 | K | 83.8 | Confident | 82.9 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 115.2 | 170.5 | -177 | 175.5 | 178.4 | 170 | 0 | 108.7 | L1154 H1227 F1228 R1259 K1260 | L1154-K1257 HydrophobicContact CD1-CB 4.38Å; L1154-K1257 HydrophobicContact CD1-CD 3.59Å; H1227-K1257 PolarHBondContact NE2-NZ 3.45Å; H1227-K1257 VanDerWaalsContact NE2-NZ 3.17Å; F1228-K1257 HydrophobicContact CD1-CG 4.46Å; F1228-K1257 HydrophobicContact CE1-CG 4.33Å; F1228-K1257 WeakPolarHBondContact O-CE 3.41Å; F1228-K1257 PolarHBondContact O-NZ 2.96Å; K1257-R1259 VanDerWaalsContact C-N 3.29Å; K1257-R1259 PolarHBondContact O-N 2.83Å; K1257-K1260 PolarHBondContact N-O 2.81Å; K1257-K1260 WeakPolarHBondContact O-CB 3.17Å; K1257-K1260 PolarHBondContact O-N 2.7Å |
| 1258 | N | 74.1 | Confident | 84.4 | Confident | 106 Ų | 106 | 58 Ų | 58 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 41.7 | -179.3 | -57.4 | -21.5 | 0 | 0 | 0 | 114 | K1260 | N1258-K1260 PolarHBondContact O-N 3.08Š|
| 1259 | R | 71.1 | Confident | 85.5 | Confident | 239 Ų | 239 | 57.5 Ų | 57.5 | 90% | 0.902 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 13.5 | -175 | -50.2 | 177.4 | 178.9 | 166.6 | 0.5 | 115.2 | K1257 | K1257-R1259 VanDerWaalsContact C-N 3.29Å; K1257-R1259 PolarHBondContact O-N 2.83Å |
| 1260 | K | 74.5 | Confident | 86.2 | Confident | 120 Ų | 120 | 53.8 Ų | 53.8 | 52% | 0.522 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 154.2 | 169.3 | -62.3 | -171.5 | 176.6 | -169.3 | 0 | 110.1 | E1256 K1257 N1258 G1262 E1520 | E1256-K1260 WeakPolarHBondContact CA-O 3.14Å; K1257-K1260 PolarHBondContact N-O 2.81Å; K1257-K1260 WeakPolarHBondContact O-CB 3.17Å; K1257-K1260 PolarHBondContact O-N 2.7Å; N1258-K1260 PolarHBondContact O-N 3.08Å; K1260-G1262 PolarHBondContact O-N 3.24Å; K1260-E1520 IonicContact NZ-OE1 2.97Å |
| 1261 | K | 77.4 | Confident | 86.5 | Confident | 165 Ų | 165 | 53.7 Ų | 53.7 | 72% | 0.717 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124 | 176 | -70.2 | -170.2 | 176.2 | -172.9 | 0 | 110.2 | T1254 | T1254-K1261 HydrophobicContact CG2-CD 4.45Å; T1254-K1261 HydrophobicContact CG2-CG 4.1Å |
| 1262 | G | 80.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 10.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1255 K1260 | I1255-G1262 PolarHBondContact O-N 2.67Å; K1260-G1262 PolarHBondContact O-N 3.24Å |
| 1263 | G | 86.8 | Confident | 87 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.9 | -171.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1151 S1152 I1255 | R1151-G1263 WeakPolarHBondContact O-CA 3.41Å; S1152-G1263 WeakPolarHBondContact O-CA 3.41Å; I1255-G1263 PolarHBondContact N-O 2.91Å |
| 1264 | E | 90.2 | Very high | 86.7 | Confident | 41 Ų | 41 | 45 Ų | 45 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146 | 176.7 | -58.4 | -177.5 | 128.1 | 0 | 0 | 110.6 | A1150 R1151 W1252 Y1253 | A1150-E1264 CarbonylContact C-O 3.54Å; A1150-E1264 WeakPolarHBondContact CA-O 3.27Å; A1150-E1264 VanDerWaalsContact CB-O 3.28Å; A1150-E1264 WeakPolarHBondContact CB-O 3.47Å; R1151-E1264 HydrophobicContact CG-CB 4.15Å; R1151-E1264 IonicContact CZ-OE2 3.3Å; R1151-E1264 PolarHBondContact N-O 2.8Å; R1151-E1264 IonicContact NE-OE2 3.73Å; R1151-E1264 PolarHBondContact NE-OE2 2.8Å; R1151-E1264 IonicContact NH2-OE2 3.48Å; R1151-E1264 PolarHBondContact NH2-OE2 2.93Å; R1151-E1264 PolarHBondContact O-N 3.17Å; W1252-E1264 HydrophobicContact CE3-CB 3.75Å; W1252-E1264 HydrophobicContact CZ3-CB 4.27Å; Y1253-E1264 CarbonylContact O-C 3.59Å; Y1253-E1264 VanDerWaalsContact O-CA 3.23Å; Y1253-E1264 WeakPolarHBondContact O-CA 3.3Å |
| 1265 | I | 92.5 | Very high | 86 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.6 | 177.2 | -167.5 | 171.8 | 0 | 0 | 0 | 110.5 | I1147 A1150 V1166 I1215 L1232 W1252 Y1253 I1255 A1267 | I1147-I1265 HydrophobicContact CG2-CD1 4.1Å; A1150-I1265 HydrophobicContact CB-CB 4.47Å; A1150-I1265 HydrophobicContact CB-CG1 4.44Å; V1166-I1265 HydrophobicContact CG1-CD1 4.45Å; V1166-I1265 HydrophobicContact CG2-CD1 3.78Å; I1215-I1265 HydrophobicContact CG2-CD1 4.12Å; L1232-I1265 HydrophobicContact CD1-CG2 4Å; L1232-I1265 HydrophobicContact CD2-CG2 4.24Å; W1252-I1265 CarbonylContact C-O 3.49Å; W1252-I1265 WeakPolarHBondContact CA-O 3.24Å; W1252-I1265 VanDerWaalsContact CE3-C 3.49Å; Y1253-I1265 PolarHBondContact N-O 2.85Å; Y1253-I1265 PolarHBondContact O-N 3.3Å; I1255-I1265 HydrophobicContact CD1-CB 4.21Å; I1255-I1265 HydrophobicContact CG1-CB 4.47Å; I1255-I1265 HydrophobicContact CG1-CG2 4.39Å; I1265-A1267 HydrophobicContact CG1-CB 4.46Å |
| 1266 | L | 91.4 | Very high | 85 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 107.3 | 174 | -174.9 | 57.7 | 0 | 0 | 0 | 108.9 | F1148 Q1149 L1250 Q1251 W1252 Y1368 | F1148-L1266 WeakPolarHBondContact CB-O 3.38Å; F1148-L1266 HydrophobicContact CD1-CD2 3.89Å; F1148-L1266 HydrophobicContact CD1-CG 4.47Å; F1148-L1266 PolarHBondContact N-O 3.41Å; F1148-L1266 VanDerWaalsContact N-O 3.09Å; Q1149-L1266 HydrophobicContact CG-CB 3.73Å; Q1149-L1266 HydrophobicContact CG-CD2 3.97Å; Q1149-L1266 HydrophobicContact CG-CG 4.41Å; Q1149-L1266 PolarHBondContact N-O 3.46Å; Q1149-L1266 PolarHBondContact O-N 2.96Å; L1250-L1266 HydrophobicContact CB-CD1 3.61Å; L1250-L1266 HydrophobicContact CB-CD2 4.43Å; L1250-L1266 HydrophobicContact CB-CG 3.87Å; L1250-L1266 HydrophobicContact CD1-CD2 4.39Å; L1250-L1266 HydrophobicContact CD1-CG 4.34Å; Q1251-L1266 VanDerWaalsContact C-CD1 3.42Å; Q1251-L1266 WeakPolarHBondContact O-CA 3.39Å; Q1251-L1266 WeakPolarHBondContact O-CD1 3.38Å; W1252-L1266 HydrophobicContact CD2-CB 3.9Å; W1252-L1266 HydrophobicContact CD2-CD1 4.08Å; W1252-L1266 HydrophobicContact CD2-CG 4.46Å; W1252-L1266 HydrophobicContact CE3-CB 3.74Å; W1252-L1266 HydrophobicContact CG-CD1 4.1Å; W1252-L1266 HydrophobicContact CH2-CB 3.82Å; W1252-L1266 HydrophobicContact CZ2-CB 3.97Å; W1252-L1266 HydrophobicContact CZ2-CD2 3.97Å; W1252-L1266 HydrophobicContact CZ2-CG 4.43Å; W1252-L1266 HydrophobicContact CZ3-CB 3.69Å; L1266-Y1368 HydrophobicContact CD1-CD1 4.07Å; L1266-Y1368 HydrophobicContact CD1-CE1 3.96Å; L1266-Y1368 HydrophobicContact CD2-CD1 3.68Å; L1266-Y1368 HydrophobicContact CD2-CE1 4.3Å |
| 1267 | A | 93.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 167.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1146 I1147 Q1251 I1265 F1269 | Y1146-A1267 CarbonylContact O-C 3.47Å; Y1146-A1267 WeakPolarHBondContact O-CA 3.46Å; Y1146-A1267 WeakPolarHBondContact O-CB 3.08Å; I1147-A1267 HydrophobicContact CD1-CB 3.99Å; Q1251-A1267 PolarHBondContact N-O 3.2Å; Q1251-A1267 PolarHBondContact O-N 3.08Å; I1265-A1267 HydrophobicContact CG1-CB 4.46Å; A1267-F1269 HydrophobicContact CB-CE2 3.59Å; A1267-F1269 HydrophobicContact CB-CZ 3.82Å |
| 1268 | A | 92.2 | Very high | 84.2 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 152.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y1146 L1250 | Y1146-A1268 WeakPolarHBondContact CB-O 3.41Å; Y1146-A1268 HydrophobicContact CD2-CB 4.02Å; Y1146-A1268 WeakPolarHBondContact CD2-O 3.31Å; Y1146-A1268 PolarHBondContact N-O 3.04Å; Y1146-A1268 PolarHBondContact O-N 2.57Å; L1250-A1268 HydrophobicContact CD2-CB 4.05Å |
| 1269 | F | 92.9 | Very high | 84.4 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 130.5 | -173.7 | -58.3 | -94.1 | 0 | 0 | 0 | 110.3 | L1143 R1144 A1145 I1147 V1213 I1215 I1234 P1236 A1237 A1267 | L1143-F1269 HydrophobicContact CD1-CB 4.47Å; R1144-F1269 WeakPolarHBondContact O-CA 3.36Å; A1145-F1269 HydrophobicContact CB-CD1 3.49Å; A1145-F1269 VanDerWaalsContact CB-CD1 3.49Å; A1145-F1269 HydrophobicContact CB-CE1 3.47Å; A1145-F1269 VanDerWaalsContact CB-CE1 3.47Å; I1147-F1269 HydrophobicContact CD1-CE1 3.93Å; I1147-F1269 HydrophobicContact CD1-CZ 3.74Å; V1213-F1269 HydrophobicContact CB-CD1 4.26Å; V1213-F1269 HydrophobicContact CB-CE1 4.49Å; V1213-F1269 HydrophobicContact CG1-CD1 3.98Å; V1213-F1269 HydrophobicContact CG1-CE1 3.89Å; V1213-F1269 HydrophobicContact CG2-CD1 4.12Å; I1215-F1269 HydrophobicContact CD1-CE1 3.69Å; I1215-F1269 HydrophobicContact CD1-CZ 3.7Å; I1215-F1269 HydrophobicContact CG1-CE1 4.31Å; I1215-F1269 HydrophobicContact CG1-CZ 3.91Å; I1234-F1269 HydrophobicContact CB-CD2 4.31Å; I1234-F1269 HydrophobicContact CB-CE2 4.27Å; I1234-F1269 HydrophobicContact CD1-CD2 4.15Å; I1234-F1269 HydrophobicContact CD1-CE2 3.35Å; I1234-F1269 HydrophobicContact CD1-CZ 3.87Å; I1234-F1269 HydrophobicContact CG1-CE2 4.41Å; I1234-F1269 HydrophobicContact CG2-CD2 3.67Å; I1234-F1269 HydrophobicContact CG2-CE2 3.99Å; I1234-F1269 HydrophobicContact CG2-CG 4.49Å; P1236-F1269 HydrophobicContact CB-CB 3.91Å; A1237-F1269 WeakPolarHBondContact CB-O 3.4Å; A1237-F1269 PolarHBondContact N-O 2.92Å; A1267-F1269 HydrophobicContact CB-CE2 3.59Å; A1267-F1269 HydrophobicContact CB-CZ 3.82Å |
| 1270 | E | 90.7 | Very high | 84.7 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.1 | 177.1 | 63 | 178.8 | -156.2 | 0 | 0 | 112.3 | L1143 R1144 Y1146 A1237 N1248 I1272 | L1143-E1270 CarbonylContact C-O 3.55Å; L1143-E1270 VanDerWaalsContact CA-O 3.26Å; L1143-E1270 WeakPolarHBondContact CA-O 3.47Å; L1143-E1270 VanDerWaalsContact CD1-O 3.32Å; L1143-E1270 WeakPolarHBondContact CD1-O 3.4Å; R1144-E1270 HydrophobicContact CB-CG 3.72Å; R1144-E1270 VanDerWaalsContact CD-OE1 3.24Å; R1144-E1270 WeakPolarHBondContact CD-OE1 3.32Å; R1144-E1270 HydrophobicContact CG-CG 4.23Å; R1144-E1270 PolarHBondContact N-O 2.62Å; R1144-E1270 IonicContact NE-OE1 2.69Å; R1144-E1270 IonicContact NH1-OE1 3.29Å; R1144-E1270 PolarHBondContact O-N 3.08Å; Y1146-E1270 HydrophobicContact CE2-CB 4.5Å; Y1146-E1270 HydrophobicContact CE2-CG 3.71Å; Y1146-E1270 PolarHBondContact OH-OE1 2.79Å; Y1146-E1270 PolarHBondContact OH-OE2 2.9Å; A1237-E1270 CarbonylContact O-C 3.41Å; A1237-E1270 VanDerWaalsContact O-CA 3.31Å; A1237-E1270 WeakPolarHBondContact O-CA 3.43Å; N1248-E1270 PolarHBondContact ND2-OE2 2.91Å; E1270-I1272 HydrophobicContact CG-CD1 4.34Å; E1270-I1272 HydrophobicContact CG-CG1 4.44Å |
| 1271 | L | 93.1 | Very high | 85 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.2 | 178.7 | -178.6 | 69.2 | 0 | 0 | 0 | 109.2 | W1141 L1143 F1170 M1199 I1206 P1236 A1237 V1238 R1239 | W1141-L1271 HydrophobicContact CB-CD1 3.91Å; W1141-L1271 HydrophobicContact CD2-CG 4.32Å; W1141-L1271 HydrophobicContact CE3-CD1 4.22Å; W1141-L1271 HydrophobicContact CE3-CD2 4.1Å; W1141-L1271 HydrophobicContact CE3-CG 3.66Å; W1141-L1271 HydrophobicContact CG-CD1 4.48Å; W1141-L1271 HydrophobicContact CZ3-CD2 4.37Å; W1141-L1271 HydrophobicContact CZ3-CG 4.18Å; L1143-L1271 HydrophobicContact CB-CD1 3.94Å; L1143-L1271 HydrophobicContact CD1-CB 4.42Å; F1170-L1271 HydrophobicContact CE1-CD1 3.86Å; F1170-L1271 HydrophobicContact CZ-CD1 3.9Å; F1170-L1271 HydrophobicContact CZ-CD2 4.06Å; M1199-L1271 HydrophobicContact CE-CD1 4.43Å; M1199-L1271 HydrophobicContact CE-CD2 4.12Å; I1206-L1271 HydrophobicContact CG2-CD2 3.89Å; P1236-L1271 HydrophobicContact CB-CB 4.15Å; P1236-L1271 HydrophobicContact CG-CB 4.2Å; P1236-L1271 HydrophobicContact CG-CD2 4.42Å; A1237-L1271 PolarHBondContact O-N 3.21Å; V1238-L1271 CarbonylContact C-O 3.52Å; V1238-L1271 WeakPolarHBondContact CA-O 3.13Å; V1238-L1271 HydrophobicContact CG1-CD2 4.48Å; V1238-L1271 HydrophobicContact CG2-CB 4.29Å; V1238-L1271 HydrophobicContact CG2-CD2 4.07Å; R1239-L1271 PolarHBondContact N-O 2.75Å |
| 1272 | I | 90.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.1 | -168.5 | -48.2 | 176.6 | 0 | 0 | 0 | 110.1 | W1141 H1142 T1242 E1270 L1274 P1280 | W1141-I1272 CarbonylContact C-O 3.59Å; W1141-I1272 VanDerWaalsContact CA-O 3.3Å; W1141-I1272 WeakPolarHBondContact CA-O 2.99Å; H1142-I1272 HydrophobicContact CB-CB 4.46Å; H1142-I1272 PolarHBondContact N-O 2.79Å; H1142-I1272 PolarHBondContact O-N 3.06Å; T1242-I1272 HydrophobicContact CG2-CG2 4.19Å; E1270-I1272 HydrophobicContact CG-CD1 4.34Å; E1270-I1272 HydrophobicContact CG-CG1 4.44Å; I1272-L1274 HydrophobicContact CG2-CD2 4.41Å; I1272-P1280 HydrophobicContact CD1-CG 3.68Å |
| 1273 | L | 91.9 | Very high | 84.9 | Confident | 17 Ų | 17 | 35.2 Ų | 35.2 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.4 | 172.7 | -175.2 | 66.7 | 0 | 0 | 0 | 110.9 | H1139 W1141 P1203 R1239 L1240 D1275 | H1139-L1273 HydrophobicContact CB-CD1 3.82Å; W1141-L1273 HydrophobicContact CD2-CB 4.45Å; W1141-L1273 HydrophobicContact CD2-CD1 3.99Å; W1141-L1273 HydrophobicContact CE3-CB 3.97Å; W1141-L1273 HydrophobicContact CE3-CD1 4.34Å; W1141-L1273 HydrophobicContact CH2-CB 4.17Å; W1141-L1273 HydrophobicContact CH2-CD1 4.26Å; W1141-L1273 HydrophobicContact CZ2-CD1 3.86Å; W1141-L1273 HydrophobicContact CZ3-CB 3.8Å; W1141-L1273 HydrophobicContact CZ3-CD1 4.46Å; P1203-L1273 HydrophobicContact CB-CD1 4.44Å; P1203-L1273 HydrophobicContact CB-CD2 3.84Å; P1203-L1273 HydrophobicContact CG-CD1 4.17Å; P1203-L1273 HydrophobicContact CG-CD2 3.85Å; R1239-L1273 PolarHBondContact O-N 3.04Å; L1240-L1273 HydrophobicContact CD2-CD2 4.46Å; L1273-D1275 HydrophobicContact CG-CB 4.45Å |
| 1274 | L | 83.7 | Confident | 84.7 | Confident | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | trans | -103.9 | -43.5 | -178.5 | -62.5 | -171 | 0 | 0 | 0 | 113.9 | I1140 H1142 T1242 I1272 G1276 K1277 P1279 | I1140-L1274 HydrophobicContact CG2-CB 4.44Å; I1140-L1274 WeakPolarHBondContact O-CB 2.86Å; I1140-L1274 PolarHBondContact O-N 3.03Å; H1142-L1274 HydrophobicContact CB-CD1 3.76Å; H1142-L1274 HydrophobicContact CB-CD2 4.08Å; H1142-L1274 HydrophobicContact CB-CG 3.86Å; T1242-L1274 HydrophobicContact CG2-CD2 3.92Å; I1272-L1274 HydrophobicContact CG2-CD2 4.41Å; L1274-G1276 VanDerWaalsContact C-N 3.34Å; L1274-G1276 PolarHBondContact O-N 3.1Å; L1274-K1277 WeakPolarHBondContact O-CA 3.3Å; L1274-K1277 WeakPolarHBondContact O-CB 3.49Å; L1274-K1277 WeakPolarHBondContact O-CG 3.33Å; L1274-K1277 PolarHBondContact O-N 3.2Å; L1274-P1279 HydrophobicContact CD1-CB 4.04Å; L1274-P1279 HydrophobicContact CD2-CB 4.03Å | ||
| 1275 | D | 76.1 | Confident | 84.1 | Confident | 72 Ų | 72 | 44.7 Ų | 44.7 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 29 | 58.5 | 176.2 | -73 | -2.8 | 0 | 0 | 0 | 116.7 | H1139 I1140 L1273 K1277 | H1139-D1275 WeakPolarHBondContact CA-OD1 3.32Å; H1139-D1275 IonicContact CE1-OD2 2.78Å; H1139-D1275 PolarHBondContact CE1-OD2 3.37Å; H1139-D1275 IonicContact CG-OD1 3Å; H1139-D1275 IonicContact CG-OD2 3.35Å; H1139-D1275 VanDerWaalsContact ND1-CG 3.35Å; H1139-D1275 IonicContact ND1-OD1 2.66Å; H1139-D1275 PolarHBondContact ND1-OD1 2.98Å; H1139-D1275 IonicContact ND1-OD2 3.51Å; H1139-D1275 PolarHBondContact ND1-OD2 2.92Å; I1140-D1275 PolarHBondContact N-OD1 2.92Å; L1273-D1275 HydrophobicContact CG-CB 4.45Å; D1275-K1277 VanDerWaalsContact C-N 3.32Å; D1275-K1277 PolarHBondContact O-N 3.32Å |
| 1276 | G | 70.7 | Confident | 83.3 | Confident | 86 Ų | 86 | 52 Ų | 52 | 89% | 0.887 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -7.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1274 | L1274-G1276 VanDerWaalsContact C-N 3.34Å; L1274-G1276 PolarHBondContact O-N 3.1Å |
| 1277 | K | 77.8 | Confident | 82.6 | Confident | 108 Ų | 108 | 55.4 Ų | 55.4 | 47% | 0.47 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -83 | 155.4 | 169.7 | -54.2 | -179.4 | -179 | -179.7 | 0 | 110.7 | T1242 L1274 D1275 | T1242-K1277 HydrophobicContact CG2-CB 4.18Å; T1242-K1277 HydrophobicContact CG2-CD 4.26Å; L1274-K1277 WeakPolarHBondContact O-CA 3.3Å; L1274-K1277 WeakPolarHBondContact O-CB 3.49Å; L1274-K1277 WeakPolarHBondContact O-CG 3.33Å; L1274-K1277 PolarHBondContact O-N 3.2Å; D1275-K1277 VanDerWaalsContact C-N 3.32Å; D1275-K1277 PolarHBondContact O-N 3.32Å |
| 1278 | S | 77 | Confident | 81.5 | Confident | 94 Ų | 94 | 61.4 Ų | 61.4 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 142.1 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1279 | P | 77.2 | Confident | 81.1 | Confident | 58 Ų | 58 | 63 Ų | 63 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -58 | 155.4 | 170.3 | 26 | -33.1 | 0 | 0 | 0 | 110.7 | L1274 | L1274-P1279 HydrophobicContact CD1-CB 4.04Å; L1274-P1279 HydrophobicContact CD2-CB 4.03Å |
| 1280 | P | 77.9 | Confident | 80.7 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 152.8 | 171.5 | -17.3 | 27.8 | 0 | 0 | 0 | 110 | R1144 I1272 | R1144-P1280 PolarHBondContact NH2-O 3.11Å; I1272-P1280 HydrophobicContact CD1-CG 3.68Å |
| 1281 | P | 79.7 | Confident | 80.6 | Confident | 110 Ų | 110 | 64.6 Ų | 64.6 | 71% | 0.714 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -55 | 138.3 | 178.7 | 22.7 | -32.4 | 0 | 0 | 0 | 109.7 | R1144 | R1144-P1281 PolarHBondContact NH2-O 3.28Š|
| 1282 | P | 74.5 | Confident | 80.4 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 50% | 0.5 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 152.5 | 178.4 | 22.9 | -31 | 0 | 0 | 0 | 110.6 | F1290 | P1282-F1290 HydrophobicContact CB-CD1 3.94Å; P1282-F1290 HydrophobicContact CB-CE1 3.46Å; P1282-F1290 VanDerWaalsContact CB-CE1 3.46Å; P1282-F1290 HydrophobicContact CB-CZ 4.43Å; P1282-F1290 HydrophobicContact CG-CE1 4.39Å |
| 1283 | P | 81.9 | Confident | 80.3 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.104 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 168.8 | 169.9 | -20.3 | 32 | 0 | 0 | 0 | 112.4 | T1191 F1290 N1291 P1293 | T1191-P1283 HydrophobicContact CG2-CG 4.11Å; P1283-F1290 HydrophobicContact CB-CB 4.4Å; P1283-F1290 HydrophobicContact CG-CB 4.47Å; P1283-N1291 WeakPolarHBondContact CB-O 3.5Å; P1283-P1293 HydrophobicContact CB-CG 4.19Å; P1283-P1293 HydrophobicContact CG-CG 4.11Å |
| 1284 | T | 83.4 | Confident | 79.8 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 143.2 | 174 | 56.4 | 0 | 0 | 0 | 0 | 110.3 | N1291 | T1284-N1291 WeakPolarHBondContact O-CB 3.41Å; T1284-N1291 PolarHBondContact O-N 2.91Å; T1284-N1291 PolarHBondContact O-ND2 2.75Å; T1284-N1291 PolarHBondContact OG1-ND2 3.35Å |
| 1285 | R | 77.8 | Confident | 79.6 | Confident | 161 Ų | 161 | 74.8 Ų | 74.8 | 61% | 0.608 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 148.1 | -178.7 | -71.3 | -173.9 | -179.1 | -176.3 | 2.8 | 112.4 | L1289 F1290 | R1285-L1289 CarbonylContact C-O 3.46Å; R1285-L1289 WeakPolarHBondContact CA-O 3.42Å; R1285-L1289 WeakPolarHBondContact CB-O 3.47Å; R1285-F1290 HydrophobicContact CG-CD1 3.6Å; R1285-F1290 HydrophobicContact CG-CE1 3.77Å; R1285-F1290 HydrophobicContact CG-CG 4.34Å; R1285-F1290 VanDerWaalsContact NE-CZ 3.31Å |
| 1286 | R | 74.5 | Confident | 79.9 | Confident | 152 Ų | 152 | 72.3 Ų | 72.3 | 57% | 0.574 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 97.7 | 166.3 | -172.6 | -170 | -51.9 | -175.2 | 6.7 | 108.3 | D1189 T1288 L1289 N1291 | D1189-R1286 IonicContact OD2-NH2 3.67Å; D1189-R1286 PolarHBondContact OD2-NH2 3Å; R1286-T1288 PolarHBondContact O-N 2.66Å; R1286-L1289 PolarHBondContact N-O 3.34Å; R1286-L1289 PolarHBondContact O-N 3.05Å; R1286-N1291 PolarHBondContact NE-OD1 2.88Å; R1286-N1291 PolarHBondContact NH2-OD1 2.84Å |
| 1287 | G | 76.2 | Confident | 80.5 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 75% | 0.753 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -120.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1288 | T | 71.3 | Confident | 80.8 | Confident | 125 Ų | 125 | 65.9 Ų | 65.9 | 77% | 0.767 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -9.4 | 176.8 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | R1286 | R1286-T1288 PolarHBondContact O-N 2.66Š|
| 1289 | L | 83.1 | Confident | 81.2 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 20% | 0.199 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 155.3 | -178.2 | -58.1 | -180 | 0 | 0 | 0 | 113 | Q1178 E1190 R1285 R1286 | Q1178-L1289 HydrophobicContact CG-CD1 3.75Å; Q1178-L1289 HydrophobicContact CG-CD2 4.16Å; Q1178-L1289 HydrophobicContact CG-CG 4.47Å; E1190-L1289 HydrophobicContact CG-CD1 3.97Å; R1285-L1289 CarbonylContact C-O 3.46Å; R1285-L1289 WeakPolarHBondContact CA-O 3.42Å; R1285-L1289 WeakPolarHBondContact CB-O 3.47Å; R1286-L1289 PolarHBondContact N-O 3.34Å; R1286-L1289 PolarHBondContact O-N 3.05Å |
| 1290 | F | 85.6 | Confident | 81.7 | Confident | 33 Ų | 33 | 67 Ų | 67 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.2 | 169 | -58.8 | -89.8 | 0 | 0 | 0 | 110.4 | E1190 T1191 I1193 P1282 P1283 R1285 | E1190-F1290 CarbonylContact C-O 3.57Å; E1190-F1290 WeakPolarHBondContact CA-O 3.49Å; T1191-F1290 PolarHBondContact N-O 3Å; I1193-F1290 HydrophobicContact CD1-CB 4.38Å; I1193-F1290 HydrophobicContact CD1-CD1 3.83Å; I1193-F1290 HydrophobicContact CD1-CD2 3.67Å; I1193-F1290 HydrophobicContact CD1-CE1 3.85Å; I1193-F1290 HydrophobicContact CD1-CE2 3.73Å; I1193-F1290 HydrophobicContact CD1-CG 3.71Å; I1193-F1290 HydrophobicContact CD1-CZ 3.78Å; I1193-F1290 HydrophobicContact CG1-CD2 4.14Å; I1193-F1290 HydrophobicContact CG1-CE2 4.37Å; I1193-F1290 HydrophobicContact CG1-CG 4.45Å; P1282-F1290 HydrophobicContact CB-CD1 3.94Å; P1282-F1290 HydrophobicContact CB-CE1 3.46Å; P1282-F1290 VanDerWaalsContact CB-CE1 3.46Å; P1282-F1290 HydrophobicContact CB-CZ 4.43Å; P1282-F1290 HydrophobicContact CG-CE1 4.39Å; P1283-F1290 HydrophobicContact CB-CB 4.4Å; P1283-F1290 HydrophobicContact CG-CB 4.47Å; R1285-F1290 HydrophobicContact CG-CD1 3.6Å; R1285-F1290 HydrophobicContact CG-CE1 3.77Å; R1285-F1290 HydrophobicContact CG-CG 4.34Å; R1285-F1290 VanDerWaalsContact NE-CZ 3.31Å |
| 1291 | N | 88.5 | Confident | 82.2 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 10% | 0.102 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 153.6 | 175.8 | -70 | -41.7 | 0 | 0 | 0 | 111.2 | D1189 T1191 P1283 T1284 R1286 R1297 | D1189-N1291 WeakPolarHBondContact O-CA 3.49Å; T1191-N1291 PolarHBondContact OG1-O 3.41Å; P1283-N1291 WeakPolarHBondContact CB-O 3.5Å; T1284-N1291 WeakPolarHBondContact O-CB 3.41Å; T1284-N1291 PolarHBondContact O-N 2.91Å; T1284-N1291 PolarHBondContact O-ND2 2.75Å; T1284-N1291 PolarHBondContact OG1-ND2 3.35Å; R1286-N1291 PolarHBondContact NE-OD1 2.88Å; R1286-N1291 PolarHBondContact NH2-OD1 2.84Å; N1291-R1297 VanDerWaalsContact CB-NH2 3.35Å |
| 1292 | V | 89.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 133.9 | 166 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | Y1146 F1148 D1189 T1191 I1296 R1297 | Y1146-V1292 HydrophobicContact CD1-CG1 4.35Å; F1148-V1292 HydrophobicContact CD2-CB 4.44Å; F1148-V1292 HydrophobicContact CD2-CG2 4.23Å; D1189-V1292 PolarHBondContact O-N 3.09Å; D1189-V1292 WeakPolarHBondContact OD1-CB 2.93Å; D1189-V1292 PolarHBondContact OD1-N 3.34Å; T1191-V1292 WeakPolarHBondContact OG1-CA 3.26Å; V1292-I1296 HydrophobicContact CG1-CB 3.98Å; V1292-I1296 HydrophobicContact CG1-CG2 3.84Å; V1292-R1297 HydrophobicContact CB-CG 4.32Å; V1292-R1297 HydrophobicContact CG1-CG 4.14Å; V1292-R1297 VanDerWaalsContact O-CZ 3.27Å; V1292-R1297 PolarHBondContact O-NE 3.43Å; V1292-R1297 PolarHBondContact O-NH2 3.37Å |
| 1293 | P | 88 | Confident | 83.8 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 21% | 0.214 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 142.6 | 179.6 | -26.3 | 33.8 | 0 | 0 | 0 | 114.1 | Y1146 P1283 G1295 I1296 R1297 | Y1146-P1293 HydrophobicContact CD1-CG 4.49Å; Y1146-P1293 VanDerWaalsContact CE1-CD 3.44Å; Y1146-P1293 HydrophobicContact CE1-CG 3.8Å; P1283-P1293 HydrophobicContact CB-CG 4.19Å; P1283-P1293 HydrophobicContact CG-CG 4.11Å; P1293-G1295 PolarHBondContact O-N 3.44Å; P1293-G1295 VanDerWaalsContact O-N 3.12Å; P1293-I1296 HydrophobicContact CB-CD1 4.34Å; P1293-I1296 HydrophobicContact CB-CG1 4.41Å; P1293-I1296 HydrophobicContact CG-CD1 4.11Å; P1293-I1296 PolarHBondContact O-N 3.31Å; P1293-R1297 PolarHBondContact O-N 3.34Å |
| 1294 | E | 81.5 | Confident | 84.3 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -31.9 | -178.9 | -65 | -62.1 | 160.9 | 0 | 0 | 114 | I1296 R1297 | E1294-I1296 VanDerWaalsContact C-N 3.27Å; E1294-I1296 PolarHBondContact O-N 3.47Å; E1294-R1297 IonicContact OE1-CZ 3.29Å; E1294-R1297 IonicContact OE1-NH1 2.83Å; E1294-R1297 PolarHBondContact OE1-NH1 3.1Å; E1294-R1297 IonicContact OE2-NH1 2.78Å |
| 1295 | G | 79 | Confident | 84.8 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 76% | 0.763 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1293 | P1293-G1295 PolarHBondContact O-N 3.44Å; P1293-G1295 VanDerWaalsContact O-N 3.12Å |
| 1296 | I | 82 | Confident | 85.6 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.108 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -25.6 | 177.7 | -61 | 179.3 | 0 | 0 | 0 | 110.5 | Y1146 N1248 L1250 V1292 P1293 E1294 | Y1146-I1296 HydrophobicContact CD1-CD1 4.26Å; Y1146-I1296 HydrophobicContact CD2-CD1 3.94Å; Y1146-I1296 HydrophobicContact CE1-CD1 3.98Å; Y1146-I1296 HydrophobicContact CE2-CD1 3.62Å; Y1146-I1296 HydrophobicContact CG-CD1 4.23Å; N1248-I1296 HydrophobicContact CB-CD1 4.12Å; L1250-I1296 HydrophobicContact CD1-CG2 4.37Å; L1250-I1296 HydrophobicContact CD2-CG2 4.01Å; L1250-I1296 HydrophobicContact CG-CG2 3.8Å; V1292-I1296 HydrophobicContact CG1-CB 3.98Å; V1292-I1296 HydrophobicContact CG1-CG2 3.84Å; P1293-I1296 HydrophobicContact CB-CD1 4.34Å; P1293-I1296 HydrophobicContact CB-CG1 4.41Å; P1293-I1296 HydrophobicContact CG-CD1 4.11Å; P1293-I1296 PolarHBondContact O-N 3.31Å; E1294-I1296 VanDerWaalsContact C-N 3.27Å; E1294-I1296 PolarHBondContact O-N 3.47Å |
| 1297 | R | 84.6 | Confident | 86.6 | Confident | 48 Ų | 48 | 42 Ų | 42 | 18% | 0.181 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -64.8 | 143.7 | 179.5 | -73.4 | 179.2 | 176.6 | 172.9 | -3.6 | 111.2 | F1148 D1189 N1291 V1292 P1293 E1294 V1299 | F1148-R1297 HydrophobicContact CE2-CG 4.22Å; D1189-R1297 IonicContact OD1-CZ 2.67Å; D1189-R1297 VanDerWaalsContact OD1-CZ 3.31Å; D1189-R1297 IonicContact OD1-NE 3.05Å; D1189-R1297 PolarHBondContact OD1-NE 3.33Å; D1189-R1297 IonicContact OD1-NH2 3Å; D1189-R1297 PolarHBondContact OD1-NH2 3.16Å; D1189-R1297 IonicContact OD2-CZ 3.84Å; D1189-R1297 IonicContact OD2-NE 3.57Å; D1189-R1297 IonicContact OD2-NH2 3.25Å; D1189-R1297 PolarHBondContact OD2-NH2 3.02Å; N1291-R1297 VanDerWaalsContact CB-NH2 3.35Å; V1292-R1297 HydrophobicContact CB-CG 4.32Å; V1292-R1297 HydrophobicContact CG1-CG 4.14Å; V1292-R1297 VanDerWaalsContact O-CZ 3.27Å; V1292-R1297 PolarHBondContact O-NE 3.43Å; V1292-R1297 PolarHBondContact O-NH2 3.37Å; P1293-R1297 PolarHBondContact O-N 3.34Å; E1294-R1297 IonicContact OE1-CZ 3.29Å; E1294-R1297 IonicContact OE1-NH1 2.83Å; E1294-R1297 PolarHBondContact OE1-NH1 3.1Å; E1294-R1297 IonicContact OE2-NH1 2.78Å; R1297-V1299 PolarHBondContact O-N 2.91Å |
| 1298 | P | 84.1 | Confident | 87.4 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 134.6 | 172 | -23.2 | 34.6 | 0 | 0 | 0 | 111.5 | F1148 L1250 L1300 P1363 Y1368 | F1148-P1298 HydrophobicContact CE1-CG 4.04Å; F1148-P1298 HydrophobicContact CZ-CG 4.35Å; L1250-P1298 HydrophobicContact CD1-CG 4.31Å; P1298-L1300 PolarHBondContact O-N 3.15Å; P1298-P1363 HydrophobicContact CB-CB 3.83Å; P1298-P1363 HydrophobicContact CB-CG 3.85Å; P1298-Y1368 HydrophobicContact CB-CD2 3.72Å; P1298-Y1368 HydrophobicContact CB-CG 3.87Å; P1298-Y1368 HydrophobicContact CG-CD1 4.22Å; P1298-Y1368 HydrophobicContact CG-CD2 3.85Å; P1298-Y1368 HydrophobicContact CG-CG 3.63Å |
| 1299 | V | 84.4 | Confident | 88.6 | Confident | 84 Ų | 84 | 32.7 Ų | 32.7 | 51% | 0.509 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -69.8 | 119.6 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | R1297 P1363 K1364 | R1297-V1299 PolarHBondContact O-N 2.91Å; V1299-P1363 CarbonylContact O-C 3.49Å; V1299-P1363 WeakPolarHBondContact O-CA 3.17Å; V1299-K1364 HydrophobicContact CG1-CD 4.02Å; V1299-K1364 PolarHBondContact O-N 2.92Å |
| 1300 | L | 88.1 | Confident | 89.1 | Confident | 93 Ų | 93 | 31.1 Ų | 31.1 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 144.6 | -179.6 | -55.1 | 179.2 | 0 | 0 | 0 | 111.7 | P1298 L1361 L1362 P1363 | P1298-L1300 PolarHBondContact O-N 3.15Å; L1300-L1361 HydrophobicContact CB-CB 4.18Å; L1300-L1361 HydrophobicContact CD1-CB 4.08Å; L1300-L1362 CarbonylContact C-O 3.56Å; L1300-L1362 WeakPolarHBondContact CA-O 3.25Å; L1300-P1363 HydrophobicContact CD2-CG 3.84Å |
| 1301 | Q | 89.7 | Confident | 89.6 | Confident | 58 Ų | 58 | 29.5 Ų | 29.5 | 27% | 0.271 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.2 | 167.5 | 58.6 | 177.3 | 1.9 | 0 | 0 | 110.6 | T1303 L1361 L1362 K1364 | Q1301-T1303 PolarHBondContact O-N 3.31Å; Q1301-T1303 PolarHBondContact O-OG1 2.97Å; Q1301-T1303 VanDerWaalsContact O-OG1 3.13Å; Q1301-L1361 WeakPolarHBondContact O-CA 3.43Å; Q1301-L1362 WeakPolarHBondContact CG-O 3.4Å; Q1301-L1362 PolarHBondContact N-O 3.03Å; Q1301-L1362 PolarHBondContact O-N 2.77Å; Q1301-K1364 HydrophobicContact CB-CD 4.28Å; Q1301-K1364 HydrophobicContact CB-CG 3.58Å; Q1301-K1364 HydrophobicContact CG-CB 4.45Å; Q1301-K1364 HydrophobicContact CG-CG 3.61Å |
| 1302 | R | 92.9 | Very high | 89.9 | Confident | 33 Ų | 33 | 28.6 Ų | 28.6 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 118.9 | 172.8 | -164.5 | 176.4 | 168.6 | -146.5 | 7.8 | 109.3 | D1359 L1361 L1538 P1539 | R1302-D1359 VanDerWaalsContact CG-OD1 3.22Å; R1302-D1359 WeakPolarHBondContact CG-OD1 3.47Å; R1302-D1359 IonicContact CZ-OD1 3.75Å; R1302-D1359 IonicContact CZ-OD2 3.81Å; R1302-D1359 VanDerWaalsContact CZ-OD2 3.23Å; R1302-D1359 IonicContact NE-OD1 3.78Å; R1302-D1359 PolarHBondContact NE-OD1 2.84Å; R1302-D1359 IonicContact NE-OD2 2.82Å; R1302-D1359 PolarHBondContact NE-OD2 3.36Å; R1302-D1359 IonicContact NH2-OD2 3.46Å; R1302-D1359 PolarHBondContact NH2-OD2 2.83Å; R1302-L1361 HydrophobicContact CB-CD2 4.18Å; R1302-L1538 HydrophobicContact CB-CB 4.43Å; R1302-L1538 HydrophobicContact CG-CB 4.11Å; R1302-L1538 HydrophobicContact CG-CD1 4.27Å; R1302-L1538 PolarHBondContact O-N 3.13Å; R1302-P1539 PolarHBondContact NH1-O 2.88Å |
| 1303 | T | 93 | Very high | 90.1 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.1 | -171.5 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | Q1301 V1360 L1362 I1535 | Q1301-T1303 PolarHBondContact O-N 3.31Å; Q1301-T1303 PolarHBondContact O-OG1 2.97Å; Q1301-T1303 VanDerWaalsContact O-OG1 3.13Å; T1303-V1360 PolarHBondContact N-O 2.76Å; T1303-V1360 PolarHBondContact O-N 2.92Å; T1303-L1362 HydrophobicContact CG2-CD1 4.21Å; T1303-I1535 HydrophobicContact CG2-CG2 3.56Å |
| 1304 | G | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L1358 I1535 Y1536 | G1304-L1358 CarbonylContact C-O 3.53Å; G1304-L1358 WeakPolarHBondContact CA-O 3.38Å; G1304-I1535 WeakPolarHBondContact O-CA 3.41Å; G1304-Y1536 PolarHBondContact N-O 2.88Å; G1304-Y1536 PolarHBondContact O-N 2.82Å |
| 1305 | I | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 107.2 | 169.3 | -50.8 | 174.8 | 0 | 0 | 0 | 107.1 | I1307 I1332 F1357 L1358 V1360 L1362 F1533 R1534 I1535 | I1305-I1307 HydrophobicContact CG2-CG1 3.95Å; I1305-I1332 HydrophobicContact CD1-CD1 4.11Å; I1305-I1332 HydrophobicContact CD1-CG2 3.7Å; I1305-F1357 WeakPolarHBondContact O-CA 3.42Å; I1305-L1358 HydrophobicContact CB-CB 4.17Å; I1305-L1358 HydrophobicContact CD1-CD1 4.42Å; I1305-L1358 PolarHBondContact N-O 2.8Å; I1305-L1358 PolarHBondContact O-N 3.25Å; I1305-V1360 HydrophobicContact CD1-CG1 3.8Å; I1305-V1360 HydrophobicContact CG1-CG1 4.16Å; I1305-L1362 HydrophobicContact CD1-CD1 4.01Å; I1305-F1533 HydrophobicContact CG2-CB 4.49Å; I1305-F1533 HydrophobicContact CG2-CD1 4.28Å; I1305-R1534 WeakPolarHBondContact CA-O 3.17Å; I1305-I1535 HydrophobicContact CG1-CG1 4.25Å; I1305-I1535 HydrophobicContact CG1-CG2 4.43Å; I1305-I1535 HydrophobicContact CG2-CG1 4.14Å |
| 1306 | E | 94.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.1 | 165.1 | -66.1 | 179.8 | -138.7 | 0 | 0 | 109.3 | F1357 F1533 R1534 Y1536 R1549 Y1550 F1551 | E1306-F1357 HydrophobicContact CG-CD2 3.79Å; E1306-F1357 HydrophobicContact CG-CE2 4.14Å; E1306-F1533 CarbonylContact O-C 3.5Å; E1306-F1533 VanDerWaalsContact O-CA 3.27Å; E1306-F1533 WeakPolarHBondContact O-CA 3.35Å; E1306-R1534 HydrophobicContact CB-CB 4.23Å; E1306-R1534 PolarHBondContact N-O 3.42Å; E1306-R1534 PolarHBondContact O-N 3.4Å; E1306-Y1536 HydrophobicContact CG-CE1 3.95Å; E1306-Y1536 WeakPolarHBondContact OE1-CE1 3.43Å; E1306-Y1536 VanDerWaalsContact OE1-CZ 3.23Å; E1306-Y1536 PolarHBondContact OE1-OH 3.02Å; E1306-R1549 HydrophobicContact CG-CG 4.49Å; E1306-R1549 WeakPolarHBondContact OE1-CA 3.27Å; E1306-R1549 WeakPolarHBondContact OE1-CB 3.4Å; E1306-Y1550 VanDerWaalsContact CD-N 3.33Å; E1306-Y1550 PolarHBondContact OE1-N 2.88Å; E1306-Y1550 PolarHBondContact OE2-N 2.9Å; E1306-F1551 HydrophobicContact CB-CD2 3.72Å; E1306-F1551 HydrophobicContact CB-CE2 3.9Å; E1306-F1551 PolarHBondContact OE2-N 3.43Å |
| 1307 | I | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121 | -179 | -47.8 | -178.5 | 0 | 0 | 0 | 108.2 | I1305 C1309 F1330 V1337 L1356 L1358 F1533 | I1305-I1307 HydrophobicContact CG2-CG1 3.95Å; I1307-C1309 HydrophobicContact CG2-CB 4.18Å; I1307-C1309 PolarHBondContact O-N 3.14Å; I1307-F1330 HydrophobicContact CD1-CB 3.91Å; I1307-F1330 HydrophobicContact CD1-CD1 4.15Å; I1307-F1330 HydrophobicContact CD1-CD2 4.01Å; I1307-F1330 HydrophobicContact CD1-CG 3.76Å; I1307-F1330 HydrophobicContact CG2-CD1 4.32Å; I1307-F1330 HydrophobicContact CG2-CD2 4.43Å; I1307-F1330 HydrophobicContact CG2-CE1 3.92Å; I1307-F1330 HydrophobicContact CG2-CE2 4.05Å; I1307-F1330 HydrophobicContact CG2-CZ 3.78Å; I1307-V1337 HydrophobicContact CD1-CG1 3.77Å; I1307-L1356 HydrophobicContact CB-CB 4.11Å; I1307-L1356 PolarHBondContact N-O 2.85Å; I1307-L1356 PolarHBondContact O-N 2.74Å; I1307-L1358 HydrophobicContact CD1-CD1 4.01Å; I1307-L1358 HydrophobicContact CD1-CG 4.4Å; I1307-F1533 HydrophobicContact CB-CD1 4.23Å; I1307-F1533 HydrophobicContact CB-CE1 4.36Å; I1307-F1533 HydrophobicContact CD1-CE1 4.41Å; I1307-F1533 HydrophobicContact CG1-CD1 3.95Å; I1307-F1533 HydrophobicContact CG1-CE1 4.18Å; I1307-F1533 HydrophobicContact CG2-CD1 3.93Å; I1307-F1533 HydrophobicContact CG2-CE1 3.62Å |
| 1308 | L | 94.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 92.5 | 161.6 | 178.4 | 60.5 | 0 | 0 | 0 | 107.8 | W1310 P1354 L1355 F1506 C1507 G1531 T1532 F1551 L1554 | L1308-W1310 HydrophobicContact CD1-CE3 4.17Å; L1308-W1310 PolarHBondContact O-N 2.9Å; L1308-P1354 HydrophobicContact CD1-CB 4.18Å; L1308-P1354 HydrophobicContact CD1-CG 4.46Å; L1308-L1355 HydrophobicContact CD1-CD2 3.72Å; L1308-F1506 HydrophobicContact CD2-CD1 4.46Å; L1308-F1506 HydrophobicContact CD2-CE1 4.02Å; L1308-F1506 HydrophobicContact CD2-CE2 4.34Å; L1308-F1506 HydrophobicContact CD2-CZ 3.96Å; L1308-C1507 HydrophobicContact CD2-CB 4.47Å; L1308-G1531 CarbonylContact O-C 3.53Å; L1308-G1531 WeakPolarHBondContact O-CA 3.49Å; L1308-T1532 HydrophobicContact CB-CG2 3.99Å; L1308-T1532 HydrophobicContact CD2-CG2 4.12Å; L1308-T1532 PolarHBondContact N-O 2.8Å; L1308-T1532 PolarHBondContact O-N 2.84Å; L1308-F1551 HydrophobicContact CB-CD2 4.25Å; L1308-F1551 HydrophobicContact CB-CE1 4.43Å; L1308-F1551 HydrophobicContact CB-CE2 3.94Å; L1308-F1551 HydrophobicContact CB-CZ 4.04Å; L1308-L1554 HydrophobicContact CD1-CD1 4.01Å; L1308-L1554 HydrophobicContact CD1-CD2 4.05Å |
| 1309 | C | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 79.8 | 175.2 | -179 | 0 | 0 | 0 | 0 | 109.5 | I1307 F1330 F1351 P1354 L1356 F1529 | I1307-C1309 HydrophobicContact CG2-CB 4.18Å; I1307-C1309 PolarHBondContact O-N 3.14Å; C1309-F1330 HydrophobicContact CB-CE2 3.92Å; C1309-F1330 HydrophobicContact CB-CZ 3.95Å; C1309-F1351 VanDerWaalsContact O-CD2 3.25Å; C1309-F1351 WeakPolarHBondContact O-CD2 3.29Å; C1309-F1351 WeakPolarHBondContact SG-CD2 3.45Å; C1309-F1351 VanDerWaalsContact SG-CE2 3.53Å; C1309-P1354 WeakPolarHBondContact CA-O 3.37Å; C1309-P1354 WeakPolarHBondContact CB-O 3.43Å; C1309-P1354 PolarHBondContact N-O 3.08Å; C1309-P1354 VanDerWaalsContact O-CA 3.27Å; C1309-P1354 WeakPolarHBondContact O-CA 3.26Å; C1309-P1354 WeakPolarHBondContact O-CB 3.34Å; C1309-L1356 HydrophobicContact CB-CD1 3.94Å; C1309-L1356 HydrophobicContact CB-CG 4.37Å; C1309-F1529 HydrophobicContact CB-CE2 4.47Å; C1309-F1529 HydrophobicContact CB-CZ 4.49Å |
| 1310 | W | 94.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -54.8 | -168.1 | -172.8 | -119.2 | 0 | 0 | 0 | 113.2 | L1308 N1350 F1351 P1354 F1506 K1530 L1554 S1557 E1652 L1656 | L1308-W1310 HydrophobicContact CD1-CE3 4.17Å; L1308-W1310 PolarHBondContact O-N 2.9Å; W1310-N1350 VanDerWaalsContact O-CA 3.24Å; W1310-N1350 WeakPolarHBondContact O-CA 3.4Å; W1310-N1350 WeakPolarHBondContact O-CB 3.43Å; W1310-F1351 PolarHBondContact O-N 2.86Å; W1310-P1354 HydrophobicContact CE3-CB 4.33Å; W1310-P1354 HydrophobicContact CE3-CG 4.42Å; W1310-F1506 AromaticContact CD2-CE1 3.82Å; W1310-F1506 HydrophobicContact CD2-CE1 3.82Å; W1310-F1506 HydrophobicContact CD2-CZ 4.3Å; W1310-F1506 AromaticContact CE2-CE1 3.88Å; W1310-F1506 AromaticContact CE3-CE1 4Å; W1310-F1506 HydrophobicContact CE3-CE1 4Å; W1310-F1506 HydrophobicContact CE3-CZ 4.01Å; W1310-F1506 HydrophobicContact CG-CE1 4.3Å; W1310-F1506 HydrophobicContact CH2-CE1 4.26Å; W1310-F1506 AromaticContact CH2-CZ 3.99Å; W1310-F1506 HydrophobicContact CH2-CZ 3.99Å; W1310-F1506 HydrophobicContact CZ2-CE1 4.1Å; W1310-F1506 HydrophobicContact CZ2-CZ 4.28Å; W1310-F1506 HydrophobicContact CZ3-CE1 4.22Å; W1310-F1506 AromaticContact CZ3-CZ 3.86Å; W1310-F1506 HydrophobicContact CZ3-CZ 3.86Å; W1310-K1530 HydrophobicContact CB-CB 4.45Å; W1310-K1530 VanDerWaalsContact CB-O 3.3Å; W1310-K1530 WeakPolarHBondContact CB-O 3.4Å; W1310-K1530 PolarHBondContact N-O 2.92Å; W1310-K1530 VanDerWaalsContact N-O 3.1Å; W1310-L1554 HydrophobicContact CZ3-CD1 4.33Å; W1310-S1557 WeakPolarHBondContact CH2-O 3.44Å; W1310-E1652 PolarHBondContact NE1-OE1 3.45Å; W1310-L1656 HydrophobicContact CZ2-CD1 4.34Å; W1310-L1656 HydrophobicContact CZ2-CD2 4.43Å |
| 1311 | G | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | -175.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1349 F1529 K1530 | G1311-P1349 VanDerWaalsContact CA-O 3.22Å; G1311-P1349 WeakPolarHBondContact CA-O 3.05Å; G1311-F1529 WeakPolarHBondContact O-CD2 3.12Å; G1311-K1530 PolarHBondContact N-O 2.66Å; G1311-K1530 PolarHBondContact O-N 3.38Å |
| 1312 | V | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149.5 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | M1315 P1326 V1328 I1342 V1345 P1349 F1351 V1376 E1528 | V1312-M1315 HydrophobicContact CB-CG 3.99Å; V1312-M1315 HydrophobicContact CB-SD 4.05Å; V1312-M1315 HydrophobicContact CG2-CG 3.95Å; V1312-P1326 HydrophobicContact CG2-CG 3.77Å; V1312-V1328 HydrophobicContact CG1-CG2 4.34Å; V1312-I1342 HydrophobicContact CG2-CD1 4.11Å; V1312-V1345 HydrophobicContact CG2-CG1 4.34Å; V1312-V1345 HydrophobicContact CG2-CG2 4.04Å; V1312-P1349 PolarHBondContact N-O 2.84Å; V1312-P1349 WeakPolarHBondContact O-CB 3.16Å; V1312-F1351 HydrophobicContact CG1-CE2 4.44Å; V1312-F1351 HydrophobicContact CG1-CZ 4.34Å; V1312-V1376 HydrophobicContact CG1-CG1 4.29Å; V1312-E1528 CarbonylContact C-O 3.56Å; V1312-E1528 WeakPolarHBondContact CA-O 3.47Å |
| 1313 | R | 93.3 | Very high | 91 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 159.3 | 179.4 | -53 | -70.9 | 178.9 | -90.7 | -3 | 110.8 | M1315 P1349 N1350 E1528 K1530 P1623 K1626 E1652 | R1313-M1315 PolarHBondContact O-N 2.65Å; R1313-P1349 PolarHBondContact NH1-O 2.92Å; R1313-N1350 PolarHBondContact NH1-OD1 2.87Å; R1313-N1350 PolarHBondContact NH2-OD1 2.92Å; R1313-E1528 HydrophobicContact CB-CB 4.11Å; R1313-E1528 WeakPolarHBondContact CB-OE2 3.41Å; R1313-E1528 PolarHBondContact N-O 3.4Å; R1313-E1528 PolarHBondContact O-N 2.86Å; R1313-K1530 HydrophobicContact CG-CD 4.22Å; R1313-K1530 HydrophobicContact CG-CG 4.21Å; R1313-P1623 VanDerWaalsContact NH2-CG 3.3Å; R1313-K1626 HydrophobicContact CG-CD 4.24Å; R1313-E1652 IonicContact CZ-OE1 3.33Å; R1313-E1652 IonicContact CZ-OE2 3.4Å; R1313-E1652 IonicContact NE-OE1 2.73Å; R1313-E1652 IonicContact NE-OE2 2.92Å; R1313-E1652 PolarHBondContact NE-OE2 3.09Å; R1313-E1652 VanDerWaalsContact NH2-CD 3.32Å; R1313-E1652 IonicContact NH2-OE1 3.7Å; R1313-E1652 PolarHBondContact NH2-OE1 3.33Å; R1313-E1652 IonicContact NH2-OE2 3.26Å; R1313-E1652 PolarHBondContact NH2-OE2 3.21Å |
| 1314 | A | 88.7 | Confident | 91.1 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 49% | 0.488 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 47 | 31.2 | 173 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1316 Y1525 G1527 E1528 | A1314-R1316 PolarHBondContact O-N 2.82Å; A1314-R1316 VanDerWaalsContact O-N 3.14Å; A1314-Y1525 WeakPolarHBondContact CB-OH 3.35Å; A1314-G1527 WeakPolarHBondContact O-CA 3.45Å; A1314-E1528 HydrophobicContact CB-CG 4.48Å |
| 1315 | M | 91.9 | Very high | 91.2 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 16% | 0.158 | 23% | 0.227 | C | C | . | . | trans | -65 | 115.4 | -174.8 | -64.9 | -59.6 | -67.2 | 0 | 0 | 111.1 | V1312 R1313 V1323 V1376 V1388 L1512 | V1312-M1315 HydrophobicContact CB-CG 3.99Å; V1312-M1315 HydrophobicContact CB-SD 4.05Å; V1312-M1315 HydrophobicContact CG2-CG 3.95Å; R1313-M1315 PolarHBondContact O-N 2.65Å; M1315-V1323 HydrophobicContact CB-CB 4.08Å; M1315-V1323 HydrophobicContact CB-CG1 4.43Å; M1315-V1323 HydrophobicContact CB-CG2 4.46Å; M1315-V1323 HydrophobicContact CE-CG1 4.19Å; M1315-V1323 HydrophobicContact CE-CG2 4.38Å; M1315-V1376 HydrophobicContact CE-CB 4.42Å; M1315-V1376 HydrophobicContact CE-CG1 3.87Å; M1315-V1388 HydrophobicContact CE-CG2 3.65Å; M1315-L1512 HydrophobicContact CE-CD1 4.11Å; M1315-L1512 HydrophobicContact SD-CD1 3.77Å | ||
| 1316 | R | 89.1 | Confident | 91.3 | Very high | 107 Ų | 107 | 43.8 Ų | 43.8 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | trans | -75.7 | 153.7 | 177.9 | -71.4 | -162.9 | -175.6 | 169.8 | 4.9 | 111.4 | A1314 Y1318 R1514 E1522 Y1525 A1526 | A1314-R1316 PolarHBondContact O-N 2.82Å; A1314-R1316 VanDerWaalsContact O-N 3.14Å; R1316-Y1318 PolarHBondContact O-N 3.1Å; R1316-R1514 PolarHBondContact O-NH2 3.09Å; R1316-E1522 PolarHBondContact NH1-O 2.74Å; R1316-Y1525 WeakPolarHBondContact CD-O 3.43Å; R1316-Y1525 HydrophobicContact CG-CD1 4.01Å; R1316-Y1525 HydrophobicContact CG-CE1 4.21Å; R1316-Y1525 VanDerWaalsContact NE-CD1 3.27Å; R1316-A1526 PolarHBondContact N-O 2.86Å | ||
| 1317 | K | 88.3 | Confident | 91.3 | Very high | 150 Ų | 150 | 43.6 Ų | 43.6 | 65% | 0.652 | 23% | 0.226 | S | C | * | . | trans | -57.7 | 133.7 | 175.9 | -65.6 | 179.4 | -177 | 174.5 | 0 | 111.3 | A1321 R1514 | K1317-A1321 CarbonylContact C-O 3.56Å; K1317-A1321 VanDerWaalsContact CA-O 3.29Å; K1317-A1321 WeakPolarHBondContact CA-O 3.19Å; K1317-R1514 PolarHBondContact O-NH2 3.43Å | ||
| 1318 | Y | 84.1 | Confident | 91.4 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 123.2 | 175.8 | 179 | -97.2 | 0 | 0 | 0 | 110.1 | R1316 L1320 A1321 R1380 P1386 V1388 | R1316-Y1318 PolarHBondContact O-N 3.1Å; Y1318-L1320 VanDerWaalsContact C-N 3.34Å; Y1318-L1320 PolarHBondContact O-N 3.18Å; Y1318-A1321 PolarHBondContact N-O 3.1Å; Y1318-A1321 PolarHBondContact O-N 2.7Å; Y1318-R1380 PolarHBondContact O-NH1 3.19Å; Y1318-R1380 PolarHBondContact O-NH2 2.86Å; Y1318-P1386 HydrophobicContact CD1-CB 4.09Å; Y1318-P1386 HydrophobicContact CD1-CG 4.38Å; Y1318-P1386 HydrophobicContact CE1-CB 3.59Å; Y1318-P1386 HydrophobicContact CE1-CG 4.32Å; Y1318-V1388 HydrophobicContact CD1-CG1 3.94Å; Y1318-V1388 HydrophobicContact CG-CB 4.37Å; Y1318-V1388 HydrophobicContact CG-CG1 3.83Å |
| 1319 | K | 82.9 | Confident | 91.4 | Very high | 157 Ų | 157 | 45.2 Ų | 45.2 | 68% | 0.683 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 52.7 | -171.7 | -63.9 | -178.3 | 176.9 | 178.4 | 0 | 111.6 | A1321 | K1319-A1321 PolarHBondContact O-N 2.9Š|
| 1320 | L | 81.5 | Confident | 91.3 | Very high | 168 Ų | 168 | 45.2 Ų | 45.2 | 88% | 0.88 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | -4.4 | -178.3 | -57.1 | 171.1 | 0 | 0 | 0 | 116.4 | Y1318 | Y1318-L1320 VanDerWaalsContact C-N 3.34Å; Y1318-L1320 PolarHBondContact O-N 3.18Å |
| 1321 | A | 86.6 | Confident | 91 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 31% | 0.306 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -99.7 | 140.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | K1317 Y1318 K1319 | K1317-A1321 CarbonylContact C-O 3.56Å; K1317-A1321 VanDerWaalsContact CA-O 3.29Å; K1317-A1321 WeakPolarHBondContact CA-O 3.19Å; Y1318-A1321 PolarHBondContact N-O 3.1Å; Y1318-A1321 PolarHBondContact O-N 2.7Å; K1319-A1321 PolarHBondContact O-N 2.9Å |
| 1322 | S | 89.5 | Confident | 90.7 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 137.8 | 173.9 | 56 | 0 | 0 | 0 | 0 | 111.4 | N1324 | S1322-N1324 PolarHBondContact O-N 2.94Š|
| 1323 | V | 91.6 | Very high | 90 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 120.8 | 170.5 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | M1315 P1326 D1378 V1388 | M1315-V1323 HydrophobicContact CB-CB 4.08Å; M1315-V1323 HydrophobicContact CB-CG1 4.43Å; M1315-V1323 HydrophobicContact CB-CG2 4.46Å; M1315-V1323 HydrophobicContact CE-CG1 4.19Å; M1315-V1323 HydrophobicContact CE-CG2 4.38Å; V1323-P1326 HydrophobicContact CG1-CB 4.04Å; V1323-P1326 HydrophobicContact CG1-CG 4.21Å; V1323-D1378 HydrophobicContact CG1-CB 4.01Å; V1323-V1388 HydrophobicContact CG1-CG2 4.23Å; V1323-V1388 HydrophobicContact CG2-CB 3.99Å; V1323-V1388 HydrophobicContact CG2-CG1 3.94Å; V1323-V1388 HydrophobicContact CG2-CG2 3.99Å |
| 1324 | N | 93.4 | Very high | 89.1 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | trans | -128.5 | -28.2 | -176.2 | 179.4 | 78.1 | 0 | 0 | 0 | 113.4 | S1322 P1326 S1344 V1345 D1378 | S1322-N1324 PolarHBondContact O-N 2.94Å; N1324-P1326 WeakPolarHBondContact O-CD 3Å; N1324-S1344 WeakPolarHBondContact O-CA 3.39Å; N1324-S1344 PolarHBondContact OD1-OG 2.87Å; N1324-V1345 WeakPolarHBondContact O-CG2 3.42Å; N1324-V1345 PolarHBondContact O-N 2.73Å; N1324-D1378 PolarHBondContact N-OD1 2.95Å | ||
| 1325 | S | 95.4 | Very high | 89 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -127.5 | 61.5 | -175.8 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | I1342 D1378 H1379 | S1325-I1342 WeakPolarHBondContact CA-O 3.47Å; S1325-D1378 PolarHBondContact N-OD1 2.94Å; S1325-H1379 WeakPolarHBondContact CB-O 3.38Å; S1325-H1379 WeakPolarHBondContact O-CB 3.39Å; S1325-H1379 PolarHBondContact O-CD2 2.96Å; S1325-H1379 PolarHBondContact O-N 3.32Å |
| 1326 | P | 96.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 149.4 | -173.8 | 30.7 | -34.2 | 0 | 0 | 0 | 114.1 | V1312 V1323 N1324 I1342 V1345 V1376 R1377 | V1312-P1326 HydrophobicContact CG2-CG 3.77Å; V1323-P1326 HydrophobicContact CG1-CB 4.04Å; V1323-P1326 HydrophobicContact CG1-CG 4.21Å; N1324-P1326 WeakPolarHBondContact O-CD 3Å; P1326-I1342 HydrophobicContact CG-CB 4.14Å; P1326-I1342 HydrophobicContact CG-CD1 4.13Å; P1326-I1342 PolarHBondContact O-N 2.94Å; P1326-V1345 HydrophobicContact CG-CG2 3.4Å; P1326-V1345 VanDerWaalsContact CG-CG2 3.4Å; P1326-V1376 HydrophobicContact CB-CG1 3.83Å; P1326-R1377 CarbonylContact C-O 3.53Å; P1326-R1377 WeakPolarHBondContact CA-O 3.35Å |
| 1327 | S | 96.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 158.9 | 156.5 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | E1338 V1376 R1377 H1379 | S1327-E1338 WeakPolarHBondContact CB-OE1 3.45Å; S1327-E1338 PolarHBondContact OG-OE1 2.73Å; S1327-V1376 CarbonylContact O-C 3.16Å; S1327-V1376 WeakPolarHBondContact O-CA 3.42Å; S1327-R1377 PolarHBondContact N-O 2.87Å; S1327-R1377 PolarHBondContact O-N 2.93Å; S1327-H1379 PolarHBondContact OG-NE2 2.87Å |
| 1328 | V | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.9 | 174.4 | -176.7 | 0 | 0 | 0 | 0 | 109 | V1312 F1330 E1338 S1339 F1351 I1374 C1375 V1376 F1529 | V1312-V1328 HydrophobicContact CG1-CG2 4.34Å; V1328-F1330 HydrophobicContact CB-CE2 4.03Å; V1328-F1330 HydrophobicContact CB-CZ 4.25Å; V1328-F1330 HydrophobicContact CG1-CD2 4.17Å; V1328-F1330 HydrophobicContact CG1-CE1 4.07Å; V1328-F1330 HydrophobicContact CG1-CE2 3.6Å; V1328-F1330 HydrophobicContact CG1-CZ 3.53Å; V1328-E1338 WeakPolarHBondContact O-CA 3.12Å; V1328-S1339 PolarHBondContact N-OG 2.78Å; V1328-S1339 PolarHBondContact O-N 3.4Å; V1328-F1351 HydrophobicContact CB-CZ 4.35Å; V1328-F1351 HydrophobicContact CG2-CE2 3.83Å; V1328-F1351 HydrophobicContact CG2-CZ 3.48Å; V1328-F1351 VanDerWaalsContact CG2-CZ 3.48Å; V1328-I1374 HydrophobicContact CG1-CG2 3.59Å; V1328-C1375 CarbonylContact C-O 3.59Å; V1328-C1375 WeakPolarHBondContact CA-O 3.45Å; V1328-V1376 HydrophobicContact CG2-CG2 3.9Å; V1328-F1529 HydrophobicContact CG1-CD2 4.5Å; V1328-F1529 HydrophobicContact CG1-CE2 4.48Å; V1328-F1529 HydrophobicContact CG2-CD2 3.95Å; V1328-F1529 HydrophobicContact CG2-CE2 4.21Å |
| 1329 | E | 93.8 | Very high | 89.9 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.7 | 170.4 | -69.8 | 171.9 | -178 | 0 | 0 | 108.6 | V1336 E1338 C1375 R1377 | E1329-V1336 HydrophobicContact CB-CG1 4.21Å; E1329-V1336 HydrophobicContact CG-CG1 4.46Å; E1329-E1338 HydrophobicContact CG-CB 4.27Å; E1329-E1338 HydrophobicContact CG-CG 3.84Å; E1329-C1375 HydrophobicContact CB-CB 4.24Å; E1329-C1375 PolarHBondContact N-O 2.64Å; E1329-C1375 PolarHBondContact O-N 3.11Å; E1329-R1377 VanDerWaalsContact OE1-CD 3.3Å; E1329-R1377 WeakPolarHBondContact OE1-CD 3.16Å; E1329-R1377 IonicContact OE1-CZ 2.65Å; E1329-R1377 IonicContact OE1-NE 3.15Å; E1329-R1377 PolarHBondContact OE1-NE 2.96Å; E1329-R1377 IonicContact OE1-NH2 2.61Å; E1329-R1377 IonicContact OE2-CZ 3.69Å; E1329-R1377 IonicContact OE2-NE 3.97Å; E1329-R1377 PolarHBondContact OE2-NE 3.42Å; E1329-R1377 IonicContact OE2-NH2 3.52Å; E1329-R1377 PolarHBondContact OE2-NH2 3.02Å |
| 1330 | F | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.2 | 171.2 | -57.9 | -93.8 | 0 | 0 | 0 | 108.4 | I1307 C1309 V1328 V1336 V1337 L1356 M1372 N1373 I1374 F1529 F1533 | I1307-F1330 HydrophobicContact CD1-CB 3.91Å; I1307-F1330 HydrophobicContact CD1-CD1 4.15Å; I1307-F1330 HydrophobicContact CD1-CD2 4.01Å; I1307-F1330 HydrophobicContact CD1-CG 3.76Å; I1307-F1330 HydrophobicContact CG2-CD1 4.32Å; I1307-F1330 HydrophobicContact CG2-CD2 4.43Å; I1307-F1330 HydrophobicContact CG2-CE1 3.92Å; I1307-F1330 HydrophobicContact CG2-CE2 4.05Å; I1307-F1330 HydrophobicContact CG2-CZ 3.78Å; C1309-F1330 HydrophobicContact CB-CE2 3.92Å; C1309-F1330 HydrophobicContact CB-CZ 3.95Å; V1328-F1330 HydrophobicContact CB-CE2 4.03Å; V1328-F1330 HydrophobicContact CB-CZ 4.25Å; V1328-F1330 HydrophobicContact CG1-CD2 4.17Å; V1328-F1330 HydrophobicContact CG1-CE1 4.07Å; V1328-F1330 HydrophobicContact CG1-CE2 3.6Å; V1328-F1330 HydrophobicContact CG1-CZ 3.53Å; F1330-V1336 CarbonylContact O-C 3.55Å; F1330-V1336 VanDerWaalsContact O-CA 3.27Å; F1330-V1336 WeakPolarHBondContact O-CA 3.31Å; F1330-V1337 HydrophobicContact CB-CG1 3.93Å; F1330-V1337 HydrophobicContact CD2-CG1 4.17Å; F1330-V1337 HydrophobicContact CG-CG1 4.47Å; F1330-V1337 PolarHBondContact N-O 3.44Å; F1330-V1337 PolarHBondContact O-N 2.91Å; F1330-L1356 HydrophobicContact CD2-CD1 3.96Å; F1330-L1356 HydrophobicContact CE2-CD1 3.78Å; F1330-M1372 HydrophobicContact CD1-SD 4.29Å; F1330-N1373 WeakPolarHBondContact CA-O 3.28Å; F1330-I1374 HydrophobicContact CD1-CG1 3.98Å; F1330-I1374 HydrophobicContact CD1-CG2 4.24Å; F1330-I1374 HydrophobicContact CE1-CD1 4.36Å; F1330-I1374 HydrophobicContact CE1-CG1 4.14Å; F1330-I1374 HydrophobicContact CE1-CG2 3.85Å; F1330-I1374 HydrophobicContact CZ-CG2 4.48Å; F1330-F1529 AromaticContact CE1-CE1 3.75Å; F1330-F1529 HydrophobicContact CE1-CE1 3.75Å; F1330-F1529 AromaticContact CE1-CZ 3.68Å; F1330-F1529 HydrophobicContact CE1-CZ 3.68Å; F1330-F1529 AromaticContact CZ-CE1 3.95Å; F1330-F1529 HydrophobicContact CZ-CE1 3.95Å; F1330-F1529 AromaticContact CZ-CE2 3.89Å; F1330-F1529 HydrophobicContact CZ-CE2 3.89Å; F1330-F1529 AromaticContact CZ-CZ 3.38Å; F1330-F1529 HydrophobicContact CZ-CZ 3.38Å; F1330-F1533 AromaticContact CD1-CE1 3.93Å; F1330-F1533 HydrophobicContact CD1-CE1 3.93Å; F1330-F1533 HydrophobicContact CD1-CZ 4.23Å; F1330-F1533 AromaticContact CE1-CE1 3.87Å; F1330-F1533 HydrophobicContact CE1-CE1 3.87Å; F1330-F1533 AromaticContact CE1-CZ 3.98Å; F1330-F1533 HydrophobicContact CE1-CZ 3.98Å |
| 1331 | E | 89.4 | Confident | 91 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.5 | 178.6 | 178.9 | -171.9 | -162.4 | 0 | 0 | 110.1 | K1335 V1336 M1372 N1373 | E1331-K1335 WeakPolarHBondContact CA-O 3.19Å; E1331-V1336 HydrophobicContact CB-CG2 4.03Å; E1331-V1336 HydrophobicContact CG-CG2 3.93Å; E1331-M1372 CarbonylContact O-C 3.53Å; E1331-M1372 VanDerWaalsContact O-CA 3.31Å; E1331-M1372 WeakPolarHBondContact O-CA 3.21Å; E1331-N1373 HydrophobicContact CB-CB 4.24Å; E1331-N1373 PolarHBondContact N-O 3.33Å; E1331-N1373 PolarHBondContact O-N 3Å; E1331-N1373 PolarHBondContact OE2-ND2 2.94Å |
| 1332 | I | 88.4 | Confident | 91.4 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 137.5 | 171.9 | -169.4 | 179.6 | 0 | 0 | 0 | 109.3 | I1305 G1334 K1335 L1358 L1362 P1370 M1372 F1396 | I1305-I1332 HydrophobicContact CD1-CD1 4.11Å; I1305-I1332 HydrophobicContact CD1-CG2 3.7Å; I1332-G1334 PolarHBondContact O-N 2.91Å; I1332-G1334 VanDerWaalsContact O-N 3.17Å; I1332-K1335 PolarHBondContact N-O 3.31Å; I1332-K1335 PolarHBondContact O-N 3.48Å; I1332-L1358 HydrophobicContact CG2-CD1 3.85Å; I1332-L1362 HydrophobicContact CD1-CD1 3.97Å; I1332-L1362 HydrophobicContact CD1-CD2 4.07Å; I1332-L1362 HydrophobicContact CG1-CD2 3.98Å; I1332-P1370 HydrophobicContact CG1-CG 4.06Å; I1332-M1372 HydrophobicContact CB-CB 4.14Å; I1332-M1372 HydrophobicContact CB-CG 4.19Å; I1332-M1372 HydrophobicContact CD1-CB 4.16Å; I1332-M1372 HydrophobicContact CG1-CB 4.33Å; I1332-F1396 HydrophobicContact CD1-CE1 3.87Å; I1332-F1396 HydrophobicContact CD1-CE2 4.5Å; I1332-F1396 HydrophobicContact CD1-CZ 3.64Å |
| 1333 | G | 79.2 | Confident | 91.5 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 32.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1335 | G1333-K1335 PolarHBondContact O-N 2.87Š|
| 1334 | G | 75.8 | Confident | 91.5 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 65% | 0.649 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 1.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1332 | I1332-G1334 PolarHBondContact O-N 2.91Å; I1332-G1334 VanDerWaalsContact O-N 3.17Å |
| 1335 | K | 86.6 | Confident | 91.4 | Very high | 97 Ų | 97 | 43.7 Ų | 43.7 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.9 | 170.5 | -72.4 | -163.4 | 179.1 | -173.8 | 0 | 110.2 | E1331 I1332 G1333 L1358 D1359 V1360 | E1331-K1335 WeakPolarHBondContact CA-O 3.19Å; I1332-K1335 PolarHBondContact N-O 3.31Å; I1332-K1335 PolarHBondContact O-N 3.48Å; G1333-K1335 PolarHBondContact O-N 2.87Å; K1335-L1358 HydrophobicContact CB-CD2 4.19Å; K1335-D1359 VanDerWaalsContact CD-O 3.24Å; K1335-D1359 WeakPolarHBondContact CD-O 3.46Å; K1335-D1359 WeakPolarHBondContact CE-O 3.18Å; K1335-D1359 PolarHBondContact NZ-O 2.89Å; K1335-V1360 HydrophobicContact CB-CG2 4.32Å; K1335-V1360 HydrophobicContact CD-CB 4.07Å; K1335-V1360 HydrophobicContact CD-CG2 4.19Å; K1335-V1360 HydrophobicContact CG-CG2 4.24Å |
| 1336 | V | 88.9 | Confident | 91 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.1 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | E1329 F1330 E1331 | E1329-V1336 HydrophobicContact CB-CG1 4.21Å; E1329-V1336 HydrophobicContact CG-CG1 4.46Å; F1330-V1336 CarbonylContact O-C 3.55Å; F1330-V1336 VanDerWaalsContact O-CA 3.27Å; F1330-V1336 WeakPolarHBondContact O-CA 3.31Å; E1331-V1336 HydrophobicContact CB-CG2 4.03Å; E1331-V1336 HydrophobicContact CG-CG2 3.93Å |
| 1337 | V | 93.3 | Very high | 90.8 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.1 | 165.2 | 66 | 0 | 0 | 0 | 0 | 109.3 | I1307 F1330 L1356 L1358 | I1307-V1337 HydrophobicContact CD1-CG1 3.77Å; F1330-V1337 HydrophobicContact CB-CG1 3.93Å; F1330-V1337 HydrophobicContact CD2-CG1 4.17Å; F1330-V1337 HydrophobicContact CG-CG1 4.47Å; F1330-V1337 PolarHBondContact N-O 3.44Å; F1330-V1337 PolarHBondContact O-N 2.91Å; V1337-L1356 HydrophobicContact CG1-CB 4.45Å; V1337-L1356 HydrophobicContact CG1-CD1 4.34Å; V1337-L1356 HydrophobicContact CG2-CB 4.14Å; V1337-L1356 HydrophobicContact CG2-CD1 4.32Å; V1337-L1356 HydrophobicContact CG2-CD2 4.4Å; V1337-L1358 HydrophobicContact CB-CD2 3.68Å; V1337-L1358 HydrophobicContact CB-CG 4.14Å; V1337-L1358 HydrophobicContact CG1-CD1 3.9Å; V1337-L1358 HydrophobicContact CG1-CD2 3.73Å; V1337-L1358 HydrophobicContact CG1-CG 3.66Å |
| 1338 | E | 93.7 | Very high | 90.7 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.4 | 179.4 | -164.5 | -176.6 | 175.3 | 0 | 0 | 110.1 | S1327 V1328 E1329 H1379 | S1327-E1338 WeakPolarHBondContact CB-OE1 3.45Å; S1327-E1338 PolarHBondContact OG-OE1 2.73Å; V1328-E1338 WeakPolarHBondContact O-CA 3.12Å; E1329-E1338 HydrophobicContact CG-CB 4.27Å; E1329-E1338 HydrophobicContact CG-CG 3.84Å; E1338-H1379 IonicContact OE1-CE1 2.7Å; E1338-H1379 IonicContact OE1-NE2 2.77Å |
| 1339 | S | 95.8 | Very high | 90.6 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 165 | 170.5 | 77.3 | 0 | 0 | 0 | 0 | 111.7 | V1328 F1351 | V1328-S1339 PolarHBondContact N-OG 2.78Å; V1328-S1339 PolarHBondContact O-N 3.4Å; S1339-F1351 WeakPolarHBondContact OG-CD1 3.39Å; S1339-F1351 WeakPolarHBondContact OG-CE1 3.2Å |
| 1340 | T | 94.5 | Very high | 90.7 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 161.1 | 161.2 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | F1351 | T1340-F1351 WeakPolarHBondContact O-CD1 3.23Å; T1340-F1351 WeakPolarHBondContact O-CE1 3.47Å |
| 1341 | I | 93.9 | Very high | 90.7 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 41% | 0.41 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 130.3 | 176 | -57.2 | 167 | 0 | 0 | 0 | 109.3 | K1343 H1379 | I1341-K1343 PolarHBondContact O-N 3.24Å; I1341-H1379 VanDerWaalsContact CD1-CE1 3.48Å; I1341-H1379 WeakPolarHBondContact CD1-CE1 3.49Å; I1341-H1379 WeakPolarHBondContact CD1-ND1 3.46Å; I1341-H1379 HydrophobicContact CG2-CB 4.46Å |
| 1342 | I | 94.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 120.1 | 167.2 | -71.4 | 170.5 | 0 | 0 | 0 | 108.3 | V1312 S1325 P1326 S1344 V1345 N1348 P1349 F1351 | V1312-I1342 HydrophobicContact CG2-CD1 4.11Å; S1325-I1342 WeakPolarHBondContact CA-O 3.47Å; P1326-I1342 HydrophobicContact CG-CB 4.14Å; P1326-I1342 HydrophobicContact CG-CD1 4.13Å; P1326-I1342 PolarHBondContact O-N 2.94Å; I1342-S1344 VanDerWaalsContact C-N 3.33Å; I1342-S1344 PolarHBondContact O-N 3.28Å; I1342-V1345 HydrophobicContact CG2-CG2 3.92Å; I1342-N1348 WeakPolarHBondContact CG2-O 3.03Å; I1342-P1349 VanDerWaalsContact CD1-O 3.23Å; I1342-P1349 WeakPolarHBondContact CD1-O 3.5Å; I1342-F1351 HydrophobicContact CD1-CD1 3.87Å; I1342-F1351 HydrophobicContact CD1-CD2 4.17Å; I1342-F1351 HydrophobicContact CD1-CE1 3.59Å; I1342-F1351 HydrophobicContact CD1-CE2 3.93Å; I1342-F1351 HydrophobicContact CD1-CG 4.15Å; I1342-F1351 HydrophobicContact CD1-CZ 3.62Å; I1342-F1351 HydrophobicContact CG1-CD1 3.51Å; I1342-F1351 HydrophobicContact CG1-CE1 3.52Å; I1342-F1351 HydrophobicContact CG1-CG 4.09Å; I1342-F1351 HydrophobicContact CG1-CZ 4.11Å |
| 1343 | K | 90.7 | Very high | 90.7 | Very high | 196 Ų | 196 | 61.7 Ų | 61.7 | 85% | 0.852 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -65.3 | -35.7 | -177.6 | -67.8 | -179.5 | 179.9 | 173.8 | 0 | 113 | I1341 | I1341-K1343 PolarHBondContact O-N 3.24Š|
| 1344 | S | 91.4 | Very high | 91.3 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | trans | -161.9 | 110.7 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | N1324 I1342 K1346 K1347 N1348 | N1324-S1344 WeakPolarHBondContact O-CA 3.39Å; N1324-S1344 PolarHBondContact OD1-OG 2.87Å; I1342-S1344 VanDerWaalsContact C-N 3.33Å; I1342-S1344 PolarHBondContact O-N 3.28Å; S1344-K1346 PolarHBondContact O-N 3.41Å; S1344-K1347 PolarHBondContact O-N 3.12Å; S1344-N1348 PolarHBondContact O-N 3.14Å; S1344-N1348 VanDerWaalsContact O-O 3.14Å | ||
| 1345 | V | 91.2 | Very high | 92.2 | Very high | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.158 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.4 | 177.9 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | V1312 N1324 P1326 I1342 K1347 N1348 P1349 | V1312-V1345 HydrophobicContact CG2-CG1 4.34Å; V1312-V1345 HydrophobicContact CG2-CG2 4.04Å; N1324-V1345 WeakPolarHBondContact O-CG2 3.42Å; N1324-V1345 PolarHBondContact O-N 2.73Å; P1326-V1345 HydrophobicContact CG-CG2 3.4Å; P1326-V1345 VanDerWaalsContact CG-CG2 3.4Å; I1342-V1345 HydrophobicContact CG2-CG2 3.92Å; V1345-K1347 VanDerWaalsContact C-N 3.3Å; V1345-K1347 PolarHBondContact O-N 3.31Å; V1345-N1348 CarbonylContact O-C 3.42Å; V1345-P1349 HydrophobicContact CG1-CB 4Å |
| 1346 | K | 88.5 | Confident | 92.5 | Very high | 156 Ų | 156 | 57.8 Ų | 57.8 | 68% | 0.678 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.6 | 178.6 | -65.9 | -174.3 | 178.4 | -176.2 | 0 | 113.9 | S1344 | S1344-K1346 PolarHBondContact O-N 3.41Š|
| 1347 | K | 91.2 | Very high | 92.7 | Very high | 166 Ų | 166 | 55.8 Ų | 55.8 | 72% | 0.722 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -41.2 | 179.8 | -70.6 | -171.6 | 176.1 | -174.9 | 0 | 112.4 | S1344 V1345 I1624 | S1344-K1347 PolarHBondContact O-N 3.12Å; V1345-K1347 VanDerWaalsContact C-N 3.3Å; V1345-K1347 PolarHBondContact O-N 3.31Å; K1347-I1624 VanDerWaalsContact O-CD1 3.28Å; K1347-I1624 WeakPolarHBondContact O-CD1 3.36Å |
| 1348 | N | 94.2 | Very high | 92.7 | Very high | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.171 | 29% | 0.286 | C | S | . | . | trans | -153.1 | 110.8 | 173.7 | -177 | -1.1 | 0 | 0 | 0 | 107.8 | I1342 S1344 V1345 N1350 S1558 P1560 | I1342-N1348 WeakPolarHBondContact CG2-O 3.03Å; S1344-N1348 PolarHBondContact O-N 3.14Å; S1344-N1348 VanDerWaalsContact O-O 3.14Å; V1345-N1348 CarbonylContact O-C 3.42Å; N1348-N1350 PolarHBondContact O-N 2.85Å; N1348-N1350 WeakPolarHBondContact OD1-CB 3.46Å; N1348-N1350 PolarHBondContact OD1-N 2.83Å; N1348-S1558 PolarHBondContact ND2-O 3.07Å; N1348-P1560 HydrophobicContact CB-CG 3.83Å | ||
| 1349 | P | 94.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 5% | 0.045 | 28% | 0.28 | C | S | . | . | trans | -83 | 7.1 | 179.7 | 36.8 | -39 | 0 | 0 | 0 | 113.4 | G1311 V1312 R1313 I1342 V1345 P1623 | G1311-P1349 VanDerWaalsContact CA-O 3.22Å; G1311-P1349 WeakPolarHBondContact CA-O 3.05Å; V1312-P1349 PolarHBondContact N-O 2.84Å; V1312-P1349 WeakPolarHBondContact O-CB 3.16Å; R1313-P1349 PolarHBondContact NH1-O 2.92Å; I1342-P1349 VanDerWaalsContact CD1-O 3.23Å; I1342-P1349 WeakPolarHBondContact CD1-O 3.5Å; V1345-P1349 HydrophobicContact CG1-CB 4Å; P1349-P1623 HydrophobicContact CG-CG 3.84Å | ||
| 1350 | N | 94.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -99.6 | 152.4 | 176.1 | -62.7 | -22.5 | 0 | 0 | 0 | 112.3 | W1310 R1313 N1348 S1558 | W1310-N1350 VanDerWaalsContact O-CA 3.24Å; W1310-N1350 WeakPolarHBondContact O-CA 3.4Å; W1310-N1350 WeakPolarHBondContact O-CB 3.43Å; R1313-N1350 PolarHBondContact NH1-OD1 2.87Å; R1313-N1350 PolarHBondContact NH2-OD1 2.92Å; N1348-N1350 PolarHBondContact O-N 2.85Å; N1348-N1350 WeakPolarHBondContact OD1-CB 3.46Å; N1348-N1350 PolarHBondContact OD1-N 2.83Å; N1350-S1558 WeakPolarHBondContact CB-O 2.89Å; N1350-S1558 PolarHBondContact ND2-O 2.96Å |
| 1351 | F | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -76.9 | 137.7 | 175 | -65.4 | -76.4 | 0 | 0 | 0 | 111.2 | C1309 W1310 V1312 V1328 S1339 T1340 I1342 S1353 | C1309-F1351 VanDerWaalsContact O-CD2 3.25Å; C1309-F1351 WeakPolarHBondContact O-CD2 3.29Å; C1309-F1351 WeakPolarHBondContact SG-CD2 3.45Å; C1309-F1351 VanDerWaalsContact SG-CE2 3.53Å; W1310-F1351 PolarHBondContact O-N 2.86Å; V1312-F1351 HydrophobicContact CG1-CE2 4.44Å; V1312-F1351 HydrophobicContact CG1-CZ 4.34Å; V1328-F1351 HydrophobicContact CB-CZ 4.35Å; V1328-F1351 HydrophobicContact CG2-CE2 3.83Å; V1328-F1351 HydrophobicContact CG2-CZ 3.48Å; V1328-F1351 VanDerWaalsContact CG2-CZ 3.48Å; S1339-F1351 WeakPolarHBondContact OG-CD1 3.39Å; S1339-F1351 WeakPolarHBondContact OG-CE1 3.2Å; T1340-F1351 WeakPolarHBondContact O-CD1 3.23Å; T1340-F1351 WeakPolarHBondContact O-CE1 3.47Å; I1342-F1351 HydrophobicContact CD1-CD1 3.87Å; I1342-F1351 HydrophobicContact CD1-CD2 4.17Å; I1342-F1351 HydrophobicContact CD1-CE1 3.59Å; I1342-F1351 HydrophobicContact CD1-CE2 3.93Å; I1342-F1351 HydrophobicContact CD1-CG 4.15Å; I1342-F1351 HydrophobicContact CD1-CZ 3.62Å; I1342-F1351 HydrophobicContact CG1-CD1 3.51Å; I1342-F1351 HydrophobicContact CG1-CE1 3.52Å; I1342-F1351 HydrophobicContact CG1-CG 4.09Å; I1342-F1351 HydrophobicContact CG1-CZ 4.11Å; F1351-S1353 VanDerWaalsContact C-N 3.25Å; F1351-S1353 PolarHBondContact O-N 2.71Å | ||
| 1352 | A | 88.8 | Confident | 92 | Very high | 79 Ų | 79 | 51.5 Ų | 51.5 | 65% | 0.653 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -69.6 | -23.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1353 | S | 90 | Very high | 91.7 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -131.9 | 83 | 172.9 | -58.6 | 0 | 0 | 0 | 0 | 108.1 | F1351 L1355 | F1351-S1353 VanDerWaalsContact C-N 3.25Å; F1351-S1353 PolarHBondContact O-N 2.71Å; S1353-L1355 VanDerWaalsContact C-N 3.28Å; S1353-L1355 PolarHBondContact O-N 2.89Å |
| 1354 | P | 91.8 | Very high | 91.3 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.078 | 25% | 0.25 | C | C | . | . | trans | -78.1 | -11.6 | -169.5 | 31.6 | -36.2 | 0 | 0 | 0 | 113.2 | L1308 C1309 W1310 L1554 | L1308-P1354 HydrophobicContact CD1-CB 4.18Å; L1308-P1354 HydrophobicContact CD1-CG 4.46Å; C1309-P1354 WeakPolarHBondContact CA-O 3.37Å; C1309-P1354 WeakPolarHBondContact CB-O 3.43Å; C1309-P1354 PolarHBondContact N-O 3.08Å; C1309-P1354 VanDerWaalsContact O-CA 3.27Å; C1309-P1354 WeakPolarHBondContact O-CA 3.26Å; C1309-P1354 WeakPolarHBondContact O-CB 3.34Å; W1310-P1354 HydrophobicContact CE3-CB 4.33Å; W1310-P1354 HydrophobicContact CE3-CG 4.42Å; P1354-L1554 HydrophobicContact CG-CD1 3.88Å | ||
| 1355 | L | 93 | Very high | 90.6 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 38% | 0.377 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.1 | -176.1 | -57.9 | 180 | 0 | 0 | 0 | 110.9 | L1308 S1353 F1551 L1554 | L1308-L1355 HydrophobicContact CD1-CD2 3.72Å; S1353-L1355 VanDerWaalsContact C-N 3.28Å; S1353-L1355 PolarHBondContact O-N 2.89Å; L1355-F1551 HydrophobicContact CD1-CB 4.34Å; L1355-F1551 WeakPolarHBondContact CD1-O 3.32Å; L1355-F1551 HydrophobicContact CD2-CB 3.52Å; L1355-F1551 HydrophobicContact CD2-CD2 4.4Å; L1355-F1551 HydrophobicContact CD2-CG 4.14Å; L1355-L1554 HydrophobicContact CD1-CD1 4.37Å; L1355-L1554 HydrophobicContact CD1-CG 4.35Å; L1355-L1554 HydrophobicContact CD2-CD1 3.93Å; L1355-L1554 HydrophobicContact CD2-CD2 4.26Å; L1355-L1554 HydrophobicContact CD2-CG 4.18Å; L1355-L1554 HydrophobicContact CG-CD1 4.15Å |
| 1356 | L | 94.2 | Very high | 89.8 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 15% | 0.152 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 160.9 | 174.5 | -47.6 | 169.9 | 0 | 0 | 0 | 109.9 | I1307 C1309 F1330 V1337 | I1307-L1356 HydrophobicContact CB-CB 4.11Å; I1307-L1356 PolarHBondContact N-O 2.85Å; I1307-L1356 PolarHBondContact O-N 2.74Å; C1309-L1356 HydrophobicContact CB-CD1 3.94Å; C1309-L1356 HydrophobicContact CB-CG 4.37Å; F1330-L1356 HydrophobicContact CD2-CD1 3.96Å; F1330-L1356 HydrophobicContact CE2-CD1 3.78Å; V1337-L1356 HydrophobicContact CG1-CB 4.45Å; V1337-L1356 HydrophobicContact CG1-CD1 4.34Å; V1337-L1356 HydrophobicContact CG2-CB 4.14Å; V1337-L1356 HydrophobicContact CG2-CD1 4.32Å; V1337-L1356 HydrophobicContact CG2-CD2 4.4Å |
| 1357 | F | 93.2 | Very high | 89.2 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 19% | 0.189 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 129.4 | 179.2 | -178.2 | -105.6 | 0 | 0 | 0 | 110.4 | I1305 E1306 D1359 L1538 | I1305-F1357 WeakPolarHBondContact O-CA 3.42Å; E1306-F1357 HydrophobicContact CG-CD2 3.79Å; E1306-F1357 HydrophobicContact CG-CE2 4.14Å; F1357-D1359 HydrophobicContact CE1-CB 4.04Å; F1357-L1538 HydrophobicContact CZ-CD1 4.06Å; F1357-L1538 HydrophobicContact CZ-CD2 4.47Å |
| 1358 | L | 92.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.4 | 169.2 | -71.6 | 167 | 0 | 0 | 0 | 109.3 | G1304 I1305 I1307 I1332 K1335 V1337 V1360 | G1304-L1358 CarbonylContact C-O 3.53Å; G1304-L1358 WeakPolarHBondContact CA-O 3.38Å; I1305-L1358 HydrophobicContact CB-CB 4.17Å; I1305-L1358 HydrophobicContact CD1-CD1 4.42Å; I1305-L1358 PolarHBondContact N-O 2.8Å; I1305-L1358 PolarHBondContact O-N 3.25Å; I1307-L1358 HydrophobicContact CD1-CD1 4.01Å; I1307-L1358 HydrophobicContact CD1-CG 4.4Å; I1332-L1358 HydrophobicContact CG2-CD1 3.85Å; K1335-L1358 HydrophobicContact CB-CD2 4.19Å; V1337-L1358 HydrophobicContact CB-CD2 3.68Å; V1337-L1358 HydrophobicContact CB-CG 4.14Å; V1337-L1358 HydrophobicContact CG1-CD1 3.9Å; V1337-L1358 HydrophobicContact CG1-CD2 3.73Å; V1337-L1358 HydrophobicContact CG1-CG 3.66Å; L1358-V1360 HydrophobicContact CB-CG1 4.42Å |
| 1359 | D | 92.1 | Very high | 88 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 105.4 | 161.9 | 178 | -16.2 | 0 | 0 | 0 | 106.2 | R1302 K1335 F1357 L1538 | R1302-D1359 VanDerWaalsContact CG-OD1 3.22Å; R1302-D1359 WeakPolarHBondContact CG-OD1 3.47Å; R1302-D1359 IonicContact CZ-OD1 3.75Å; R1302-D1359 IonicContact CZ-OD2 3.81Å; R1302-D1359 VanDerWaalsContact CZ-OD2 3.23Å; R1302-D1359 IonicContact NE-OD1 3.78Å; R1302-D1359 PolarHBondContact NE-OD1 2.84Å; R1302-D1359 IonicContact NE-OD2 2.82Å; R1302-D1359 PolarHBondContact NE-OD2 3.36Å; R1302-D1359 IonicContact NH2-OD2 3.46Å; R1302-D1359 PolarHBondContact NH2-OD2 2.83Å; K1335-D1359 VanDerWaalsContact CD-O 3.24Å; K1335-D1359 WeakPolarHBondContact CD-O 3.46Å; K1335-D1359 WeakPolarHBondContact CE-O 3.18Å; K1335-D1359 PolarHBondContact NZ-O 2.89Å; F1357-D1359 HydrophobicContact CE1-CB 4.04Å; D1359-L1538 HydrophobicContact CB-CD1 4.37Å |
| 1360 | V | 91.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.1 | -170.8 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | T1303 I1305 K1335 L1358 L1362 | T1303-V1360 PolarHBondContact N-O 2.76Å; T1303-V1360 PolarHBondContact O-N 2.92Å; I1305-V1360 HydrophobicContact CD1-CG1 3.8Å; I1305-V1360 HydrophobicContact CG1-CG1 4.16Å; K1335-V1360 HydrophobicContact CB-CG2 4.32Å; K1335-V1360 HydrophobicContact CD-CB 4.07Å; K1335-V1360 HydrophobicContact CD-CG2 4.19Å; K1335-V1360 HydrophobicContact CG-CG2 4.24Å; L1358-V1360 HydrophobicContact CB-CG1 4.42Å; V1360-L1362 HydrophobicContact CG1-CD1 3.84Å; V1360-L1362 HydrophobicContact CG1-CD2 4.31Å; V1360-L1362 HydrophobicContact CG1-CG 3.77Å; V1360-L1362 HydrophobicContact CG2-CD2 4Å; V1360-L1362 HydrophobicContact CG2-CG 4.17Å |
| 1361 | L | 90.5 | Very high | 86.9 | Confident | 100 Ų | 100 | 42.8 Ų | 42.8 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 112.9 | 171.1 | -70.5 | 173.2 | 0 | 0 | 0 | 108.1 | L1300 Q1301 R1302 | L1300-L1361 HydrophobicContact CB-CB 4.18Å; L1300-L1361 HydrophobicContact CD1-CB 4.08Å; Q1301-L1361 WeakPolarHBondContact O-CA 3.43Å; R1302-L1361 HydrophobicContact CB-CD2 4.18Å |
| 1362 | L | 89.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.9 | 178.3 | -66.8 | 178.1 | 0 | 0 | 0 | 110.4 | L1300 Q1301 T1303 I1305 I1332 V1360 K1364 L1369 P1370 | L1300-L1362 CarbonylContact C-O 3.56Å; L1300-L1362 WeakPolarHBondContact CA-O 3.25Å; Q1301-L1362 WeakPolarHBondContact CG-O 3.4Å; Q1301-L1362 PolarHBondContact N-O 3.03Å; Q1301-L1362 PolarHBondContact O-N 2.77Å; T1303-L1362 HydrophobicContact CG2-CD1 4.21Å; I1305-L1362 HydrophobicContact CD1-CD1 4.01Å; I1332-L1362 HydrophobicContact CD1-CD1 3.97Å; I1332-L1362 HydrophobicContact CD1-CD2 4.07Å; I1332-L1362 HydrophobicContact CG1-CD2 3.98Å; V1360-L1362 HydrophobicContact CG1-CD1 3.84Å; V1360-L1362 HydrophobicContact CG1-CD2 4.31Å; V1360-L1362 HydrophobicContact CG1-CG 3.77Å; V1360-L1362 HydrophobicContact CG2-CD2 4Å; V1360-L1362 HydrophobicContact CG2-CG 4.17Å; L1362-K1364 PolarHBondContact O-N 2.91Å; L1362-L1369 HydrophobicContact CB-CD2 3.89Å; L1362-L1369 HydrophobicContact CD1-CD2 4.23Å; L1362-P1370 HydrophobicContact CD2-CG 3.89Å |
| 1363 | P | 87.8 | Confident | 86.5 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 137.2 | 175.1 | -30.2 | 38.4 | 0 | 0 | 0 | 113.1 | P1298 V1299 L1300 E1365 Y1368 | P1298-P1363 HydrophobicContact CB-CB 3.83Å; P1298-P1363 HydrophobicContact CB-CG 3.85Å; V1299-P1363 CarbonylContact O-C 3.49Å; V1299-P1363 WeakPolarHBondContact O-CA 3.17Å; L1300-P1363 HydrophobicContact CD2-CG 3.84Å; P1363-E1365 VanDerWaalsContact C-N 3.29Å; P1363-Y1368 WeakPolarHBondContact CG-O 3.03Å |
| 1364 | K | 81.9 | Confident | 86.6 | Confident | 100 Ų | 100 | 36.5 Ų | 36.5 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -62 | -41.4 | 171.7 | -75.7 | -173.3 | 175.3 | -179.5 | 0 | 111 | V1299 Q1301 L1362 | V1299-K1364 HydrophobicContact CG1-CD 4.02Å; V1299-K1364 PolarHBondContact O-N 2.92Å; Q1301-K1364 HydrophobicContact CB-CD 4.28Å; Q1301-K1364 HydrophobicContact CB-CG 3.58Å; Q1301-K1364 HydrophobicContact CG-CB 4.45Å; Q1301-K1364 HydrophobicContact CG-CG 3.61Å; L1362-K1364 PolarHBondContact O-N 2.91Å |
| 1365 | E | 78 | Confident | 86.5 | Confident | 95 Ų | 95 | 36.8 Ų | 36.8 | 44% | 0.444 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -83.5 | 125.9 | -179 | -67.8 | 150 | 176 | 0 | 0 | 110.5 | P1363 I1367 Y1368 | P1363-E1365 VanDerWaalsContact C-N 3.29Å; E1365-I1367 VanDerWaalsContact C-N 3.28Å; E1365-I1367 HydrophobicContact CB-CG1 4.31Å; E1365-I1367 PolarHBondContact O-N 2.78Å; E1365-Y1368 HydrophobicContact CB-CD2 3.85Å; E1365-Y1368 HydrophobicContact CB-CE2 4.33Å; E1365-Y1368 PolarHBondContact O-N 2.95Å; E1365-Y1368 VanDerWaalsContact O-N 3.13Å; E1365-Y1368 WeakPolarHBondContact OE2-CD2 3.41Å; E1365-Y1368 WeakPolarHBondContact OE2-CE2 3.48Å |
| 1366 | E | 73.7 | Confident | 86.6 | Confident | 84 Ų | 84 | 33.4 Ų | 33.4 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -61.7 | -35 | -174.6 | 176 | 150.4 | -131.3 | 0 | 0 | 113.5 | Y1368 L1369 K1400 | E1366-Y1368 PolarHBondContact O-N 2.92Å; E1366-L1369 HydrophobicContact CB-CD1 4.41Å; E1366-L1369 HydrophobicContact CG-CD1 4.24Å; E1366-L1369 WeakPolarHBondContact O-CB 3.35Å; E1366-L1369 PolarHBondContact O-N 3.38Å; E1366-L1369 VanDerWaalsContact O-N 3.09Å; E1366-K1400 IonicContact OE1-NZ 3.31Å; E1366-K1400 PolarHBondContact OE1-NZ 2.65Å; E1366-K1400 IonicContact OE2-NZ 2.86Å; E1366-K1400 PolarHBondContact OE2-NZ 2.88Å |
| 1367 | I | 75.1 | Confident | 86.5 | Confident | 99 Ų | 99 | 36.1 Ų | 36.1 | 51% | 0.508 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -60 | -19.2 | 178.9 | 61.4 | 169.2 | 0 | 0 | 0 | 112.9 | W1252 E1365 | W1252-I1367 PolarHBondContact NE1-O 2.66Å; E1365-I1367 VanDerWaalsContact C-N 3.28Å; E1365-I1367 HydrophobicContact CB-CG1 4.31Å; E1365-I1367 PolarHBondContact O-N 2.78Å |
| 1368 | Y | 79.8 | Confident | 86.5 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -104.3 | -3 | -179.4 | -60.3 | -44.9 | 0 | 0 | 0 | 114.3 | V1249 L1250 L1266 P1298 P1363 E1365 E1366 | V1249-Y1368 WeakPolarHBondContact CG1-OH 3.25Å; L1250-Y1368 HydrophobicContact CB-CE1 3.95Å; L1250-Y1368 VanDerWaalsContact O-CE1 3.3Å; L1250-Y1368 WeakPolarHBondContact O-CE1 3.48Å; L1250-Y1368 PolarHBondContact O-OH 2.81Å; L1266-Y1368 HydrophobicContact CD1-CD1 4.07Å; L1266-Y1368 HydrophobicContact CD1-CE1 3.96Å; L1266-Y1368 HydrophobicContact CD2-CD1 3.68Å; L1266-Y1368 HydrophobicContact CD2-CE1 4.3Å; P1298-Y1368 HydrophobicContact CB-CD2 3.72Å; P1298-Y1368 HydrophobicContact CB-CG 3.87Å; P1298-Y1368 HydrophobicContact CG-CD1 4.22Å; P1298-Y1368 HydrophobicContact CG-CD2 3.85Å; P1298-Y1368 HydrophobicContact CG-CG 3.63Å; P1363-Y1368 WeakPolarHBondContact CG-O 3.03Å; E1365-Y1368 HydrophobicContact CB-CD2 3.85Å; E1365-Y1368 HydrophobicContact CB-CE2 4.33Å; E1365-Y1368 PolarHBondContact O-N 2.95Å; E1365-Y1368 VanDerWaalsContact O-N 3.13Å; E1365-Y1368 WeakPolarHBondContact OE2-CD2 3.41Å; E1365-Y1368 WeakPolarHBondContact OE2-CE2 3.48Å; E1366-Y1368 PolarHBondContact O-N 2.92Å |
| 1369 | L | 80.8 | Confident | 86.5 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 125.2 | -179.9 | -76.8 | 170.7 | 0 | 0 | 0 | 110.3 | L1362 E1366 F1396 | L1362-L1369 HydrophobicContact CB-CD2 3.89Å; L1362-L1369 HydrophobicContact CD1-CD2 4.23Å; E1366-L1369 HydrophobicContact CB-CD1 4.41Å; E1366-L1369 HydrophobicContact CG-CD1 4.24Å; E1366-L1369 WeakPolarHBondContact O-CB 3.35Å; E1366-L1369 PolarHBondContact O-N 3.38Å; E1366-L1369 VanDerWaalsContact O-N 3.09Å; L1369-F1396 HydrophobicContact CB-CD2 4.16Å; L1369-F1396 HydrophobicContact CB-CE2 4.28Å; L1369-F1396 HydrophobicContact CD1-CB 4.37Å; L1369-F1396 HydrophobicContact CD1-CD2 4.09Å |
| 1370 | P | 81.5 | Confident | 86.4 | Confident | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.071 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 149.4 | 173.3 | 30.1 | -34.2 | 0 | 0 | 0 | 109.3 | I1332 L1362 F1396 | I1332-P1370 HydrophobicContact CG1-CG 4.06Å; L1362-P1370 HydrophobicContact CD2-CG 3.89Å; P1370-F1396 VanDerWaalsContact O-CE2 3.24Å; P1370-F1396 WeakPolarHBondContact O-CE2 3.44Å; P1370-F1396 WeakPolarHBondContact O-CZ 3.31Å |
| 1371 | P | 84.8 | Confident | 86.1 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 157.7 | 173 | 30.4 | -36.3 | 0 | 0 | 0 | 111.4 | R1151 C1185 V1392 L1393 T1394 | R1151-P1371 HydrophobicContact CB-CG 3.98Å; C1185-P1371 HydrophobicContact CB-CG 3.69Å; C1185-P1371 WeakPolarHBondContact SG-CG 3.28Å; P1371-V1392 HydrophobicContact CB-CG1 3.67Å; P1371-V1392 HydrophobicContact CG-CG1 4.32Å; P1371-L1393 CarbonylContact C-O 3.28Å; P1371-L1393 WeakPolarHBondContact CA-O 3.3Å; P1371-L1393 WeakPolarHBondContact CB-O 3.43Å; P1371-T1394 HydrophobicContact CB-CG2 4.04Å |
| 1372 | M | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.6 | 172.2 | 179.6 | 168.3 | 53 | 0 | 0 | 110 | F1330 E1331 I1332 I1374 L1393 F1396 F1533 | F1330-M1372 HydrophobicContact CD1-SD 4.29Å; E1331-M1372 CarbonylContact O-C 3.53Å; E1331-M1372 VanDerWaalsContact O-CA 3.31Å; E1331-M1372 WeakPolarHBondContact O-CA 3.21Å; I1332-M1372 HydrophobicContact CB-CB 4.14Å; I1332-M1372 HydrophobicContact CB-CG 4.19Å; I1332-M1372 HydrophobicContact CD1-CB 4.16Å; I1332-M1372 HydrophobicContact CG1-CB 4.33Å; M1372-I1374 HydrophobicContact CG-CG1 4.46Å; M1372-L1393 HydrophobicContact CB-CB 4.32Å; M1372-L1393 HydrophobicContact CE-CB 4.4Å; M1372-L1393 HydrophobicContact CE-CD2 3.5Å; M1372-L1393 VanDerWaalsContact CE-CD2 3.5Å; M1372-L1393 PolarHBondContact N-O 3.45Å; M1372-L1393 PolarHBondContact O-N 3.35Å; M1372-F1396 HydrophobicContact CB-CE1 3.93Å; M1372-F1396 HydrophobicContact CB-CZ 3.89Å; M1372-F1396 HydrophobicContact CE-CE1 4.17Å; M1372-F1533 HydrophobicContact CE-CD1 3.68Å; M1372-F1533 HydrophobicContact CE-CD2 3.85Å; M1372-F1533 HydrophobicContact CE-CE1 3.28Å; M1372-F1533 HydrophobicContact CE-CE2 3.47Å; M1372-F1533 VanDerWaalsContact CE-CE2 3.47Å; M1372-F1533 HydrophobicContact CE-CG 3.96Å; M1372-F1533 HydrophobicContact CE-CZ 3.19Å; M1372-F1533 HydrophobicContact SD-CD1 4.27Å; M1372-F1533 HydrophobicContact SD-CE1 3.8Å; M1372-F1533 HydrophobicContact SD-CZ 4.18Å |
| 1373 | N | 86.2 | Confident | 85.5 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.1 | 173.5 | -56.3 | -37 | 0 | 0 | 0 | 109.2 | F1330 E1331 | F1330-N1373 WeakPolarHBondContact CA-O 3.28Å; E1331-N1373 HydrophobicContact CB-CB 4.24Å; E1331-N1373 PolarHBondContact N-O 3.33Å; E1331-N1373 PolarHBondContact O-N 3Å; E1331-N1373 PolarHBondContact OE2-ND2 2.94Å |
| 1374 | I | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 101.4 | 175.1 | -52.5 | 176.3 | 0 | 0 | 0 | 106.9 | V1328 F1330 M1372 V1390 H1391 F1510 F1529 F1533 | V1328-I1374 HydrophobicContact CG1-CG2 3.59Å; F1330-I1374 HydrophobicContact CD1-CG1 3.98Å; F1330-I1374 HydrophobicContact CD1-CG2 4.24Å; F1330-I1374 HydrophobicContact CE1-CD1 4.36Å; F1330-I1374 HydrophobicContact CE1-CG1 4.14Å; F1330-I1374 HydrophobicContact CE1-CG2 3.85Å; F1330-I1374 HydrophobicContact CZ-CG2 4.48Å; M1372-I1374 HydrophobicContact CG-CG1 4.46Å; I1374-V1390 WeakPolarHBondContact O-CA 2.81Å; I1374-H1391 HydrophobicContact CB-CB 4.31Å; I1374-H1391 PolarHBondContact N-O 3.05Å; I1374-H1391 PolarHBondContact O-N 3.08Å; I1374-F1510 HydrophobicContact CD1-CD2 4.43Å; I1374-F1510 HydrophobicContact CD1-CG 4.32Å; I1374-F1529 HydrophobicContact CD1-CD1 4.18Å; I1374-F1529 HydrophobicContact CD1-CE1 4.25Å; I1374-F1529 HydrophobicContact CG2-CD1 3.73Å; I1374-F1529 HydrophobicContact CG2-CE1 4.12Å; I1374-F1529 HydrophobicContact CG2-CG 4.09Å; I1374-F1533 HydrophobicContact CD1-CE2 4.36Å; I1374-F1533 HydrophobicContact CD1-CZ 3.86Å |
| 1375 | C | 90.2 | Very high | 85.5 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121 | -172.4 | -70 | 0 | 0 | 0 | 0 | 110.6 | V1328 E1329 | V1328-C1375 CarbonylContact C-O 3.59Å; V1328-C1375 WeakPolarHBondContact CA-O 3.45Å; E1329-C1375 HydrophobicContact CB-CB 4.24Å; E1329-C1375 PolarHBondContact N-O 2.64Å; E1329-C1375 PolarHBondContact O-N 3.11Å |
| 1376 | V | 94.4 | Very high | 86 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.1 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | V1312 M1315 P1326 S1327 V1328 M1387 V1388 G1389 L1512 | V1312-V1376 HydrophobicContact CG1-CG1 4.29Å; M1315-V1376 HydrophobicContact CE-CB 4.42Å; M1315-V1376 HydrophobicContact CE-CG1 3.87Å; P1326-V1376 HydrophobicContact CB-CG1 3.83Å; S1327-V1376 CarbonylContact O-C 3.16Å; S1327-V1376 WeakPolarHBondContact O-CA 3.42Å; V1328-V1376 HydrophobicContact CG2-CG2 3.9Å; V1376-M1387 WeakPolarHBondContact O-CA 3.11Å; V1376-V1388 HydrophobicContact CB-CG2 4.14Å; V1376-V1388 HydrophobicContact CG1-CG2 3.81Å; V1376-V1388 VanDerWaalsContact O-CG2 3.31Å; V1376-V1388 WeakPolarHBondContact O-CG2 3.1Å; V1376-V1388 PolarHBondContact O-N 2.96Å; V1376-G1389 PolarHBondContact N-O 2.85Å; V1376-G1389 PolarHBondContact O-N 2.96Å; V1376-L1512 HydrophobicContact CB-CD1 4.3Å; V1376-L1512 HydrophobicContact CG2-CD1 3.55Å; V1376-L1512 HydrophobicContact CG2-CD2 3.92Å; V1376-L1512 HydrophobicContact CG2-CG 4.42Å |
| 1377 | R | 92.7 | Very high | 86.7 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 33% | 0.328 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.4 | 176.5 | -63.5 | -168.6 | -174.7 | -121.1 | 5.7 | 111.5 | P1326 S1327 E1329 P1386 | P1326-R1377 CarbonylContact C-O 3.53Å; P1326-R1377 WeakPolarHBondContact CA-O 3.35Å; S1327-R1377 PolarHBondContact N-O 2.87Å; S1327-R1377 PolarHBondContact O-N 2.93Å; E1329-R1377 VanDerWaalsContact OE1-CD 3.3Å; E1329-R1377 WeakPolarHBondContact OE1-CD 3.16Å; E1329-R1377 IonicContact OE1-CZ 2.65Å; E1329-R1377 IonicContact OE1-NE 3.15Å; E1329-R1377 PolarHBondContact OE1-NE 2.96Å; E1329-R1377 IonicContact OE1-NH2 2.61Å; E1329-R1377 IonicContact OE2-CZ 3.69Å; E1329-R1377 IonicContact OE2-NE 3.97Å; E1329-R1377 PolarHBondContact OE2-NE 3.42Å; E1329-R1377 IonicContact OE2-NH2 3.52Å; E1329-R1377 PolarHBondContact OE2-NH2 3.02Å; R1377-P1386 WeakPolarHBondContact CA-O 3.32Å |
| 1378 | D | 93.7 | Very high | 87.3 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.5 | 178.4 | -175.7 | 41.8 | 0 | 0 | 0 | 111 | V1323 N1324 S1325 R1380 K1385 P1386 V1388 | V1323-D1378 HydrophobicContact CG1-CB 4.01Å; N1324-D1378 PolarHBondContact N-OD1 2.95Å; S1325-D1378 PolarHBondContact N-OD1 2.94Å; D1378-R1380 PolarHBondContact O-N 2.77Å; D1378-R1380 WeakPolarHBondContact OD2-CG 3.34Å; D1378-R1380 IonicContact OD2-CZ 3.97Å; D1378-R1380 IonicContact OD2-NE 2.68Å; D1378-R1380 PolarHBondContact OD2-NE 2.85Å; D1378-R1380 IonicContact OD2-NH2 3.23Å; D1378-R1380 PolarHBondContact OD2-NH2 2.93Å; D1378-K1385 WeakPolarHBondContact O-CA 3.35Å; D1378-P1386 PolarHBondContact N-O 3.37Å; D1378-P1386 VanDerWaalsContact O-CD 3.28Å; D1378-P1386 WeakPolarHBondContact O-CD 3.45Å; D1378-V1388 HydrophobicContact CB-CG1 3.67Å; D1378-V1388 HydrophobicContact CB-CG2 4.36Å |
| 1379 | H | 93.3 | Very high | 87.8 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | trans | -85.4 | 105.6 | -178.5 | -66.6 | -114.8 | 0 | 0 | 0 | 110.6 | S1325 S1327 E1338 I1341 K1385 | S1325-H1379 WeakPolarHBondContact CB-O 3.38Å; S1325-H1379 WeakPolarHBondContact O-CB 3.39Å; S1325-H1379 PolarHBondContact O-CD2 2.96Å; S1325-H1379 PolarHBondContact O-N 3.32Å; S1327-H1379 PolarHBondContact OG-NE2 2.87Å; E1338-H1379 IonicContact OE1-CE1 2.7Å; E1338-H1379 IonicContact OE1-NE2 2.77Å; I1341-H1379 VanDerWaalsContact CD1-CE1 3.48Å; I1341-H1379 WeakPolarHBondContact CD1-CE1 3.49Å; I1341-H1379 WeakPolarHBondContact CD1-ND1 3.46Å; I1341-H1379 HydrophobicContact CG2-CB 4.46Å; H1379-K1385 VanDerWaalsContact CE1-CE 3.46Å; H1379-K1385 WeakPolarHBondContact CE1-CE 3.41Å; H1379-K1385 VanDerWaalsContact ND1-CE 3.3Å; H1379-K1385 WeakPolarHBondContact ND1-CE 2.84Å | ||
| 1380 | R | 89.1 | Confident | 88.1 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | trans | -104.3 | 172.9 | -175.8 | -61.6 | -179.7 | 178.2 | -170.9 | -2.3 | 112 | Y1318 D1378 Q1384 | Y1318-R1380 PolarHBondContact O-NH1 3.19Å; Y1318-R1380 PolarHBondContact O-NH2 2.86Å; D1378-R1380 PolarHBondContact O-N 2.77Å; D1378-R1380 WeakPolarHBondContact OD2-CG 3.34Å; D1378-R1380 IonicContact OD2-CZ 3.97Å; D1378-R1380 IonicContact OD2-NE 2.68Å; D1378-R1380 PolarHBondContact OD2-NE 2.85Å; D1378-R1380 IonicContact OD2-NH2 3.23Å; D1378-R1380 PolarHBondContact OD2-NH2 2.93Å; R1380-Q1384 HydrophobicContact CB-CB 4.21Å; R1380-Q1384 PolarHBondContact N-O 3.05Å | ||
| 1381 | A | 84.8 | Confident | 88.5 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 58% | 0.579 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -57.6 | 156.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1383 | A1381-G1383 PolarHBondContact O-N 3.31Š|
| 1382 | F | 86.4 | Confident | 88.4 | Confident | 207 Ų | 207 | 43.8 Ų | 43.8 | 91% | 0.908 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | 60.5 | 22.3 | -178.4 | -49.1 | -77.2 | 0 | 0 | 0 | 115.1 | Q1384 | F1382-Q1384 VanDerWaalsContact C-N 3.32Å; F1382-Q1384 PolarHBondContact O-N 3.16Å |
| 1383 | G | 81 | Confident | 88.3 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 66% | 0.66 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | 78.5 | 9.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | A1381 | A1381-G1383 PolarHBondContact O-N 3.31Š|
| 1384 | Q | 83.2 | Confident | 88 | Confident | 122 Ų | 122 | 46.9 Ų | 46.9 | 57% | 0.57 | 25% | 0.25 | S | C | * | . | trans | -70.4 | 130 | 175.7 | -67.5 | -171 | 4.5 | 0 | 0 | 111.1 | R1380 F1382 | R1380-Q1384 HydrophobicContact CB-CB 4.21Å; R1380-Q1384 PolarHBondContact N-O 3.05Å; F1382-Q1384 VanDerWaalsContact C-N 3.32Å; F1382-Q1384 PolarHBondContact O-N 3.16Å | ||
| 1385 | K | 87.6 | Confident | 87.5 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 46% | 0.457 | 27% | 0.272 | S | S | . | . | trans | -129.3 | 62.7 | 178.2 | -59.9 | -177.7 | -176.7 | -175.2 | 0 | 112.1 | D1378 H1379 | D1378-K1385 WeakPolarHBondContact O-CA 3.35Å; H1379-K1385 VanDerWaalsContact CE1-CE 3.46Å; H1379-K1385 WeakPolarHBondContact CE1-CE 3.41Å; H1379-K1385 VanDerWaalsContact ND1-CE 3.3Å; H1379-K1385 WeakPolarHBondContact ND1-CE 2.84Å | ||
| 1386 | P | 88.6 | Confident | 87.3 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | trans | -60.1 | 140.3 | 178.5 | 25.4 | -36 | 0 | 0 | 0 | 111.9 | Y1318 R1377 D1378 V1388 | Y1318-P1386 HydrophobicContact CD1-CB 4.09Å; Y1318-P1386 HydrophobicContact CD1-CG 4.38Å; Y1318-P1386 HydrophobicContact CE1-CB 3.59Å; Y1318-P1386 HydrophobicContact CE1-CG 4.32Å; R1377-P1386 WeakPolarHBondContact CA-O 3.32Å; D1378-P1386 PolarHBondContact N-O 3.37Å; D1378-P1386 VanDerWaalsContact O-CD 3.28Å; D1378-P1386 WeakPolarHBondContact O-CD 3.45Å; P1386-V1388 HydrophobicContact CG-CG1 4.48Å; P1386-V1388 PolarHBondContact O-N 2.88Å | ||
| 1387 | M | 86.7 | Confident | 86.7 | Confident | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 122.7 | 163.8 | -174.4 | -89.1 | -80.6 | 0 | 0 | 108.1 | S1159 L1161 V1376 V1390 | S1159-M1387 WeakPolarHBondContact O-CE 3.13Å; L1161-M1387 HydrophobicContact CD1-CE 4.47Å; L1161-M1387 HydrophobicContact CD2-CE 4.41Å; L1161-M1387 HydrophobicContact CG-CE 4.21Å; V1376-M1387 WeakPolarHBondContact O-CA 3.11Å; M1387-V1390 HydrophobicContact CE-CB 4.37Å; M1387-V1390 HydrophobicContact CE-CG1 4.39Å; M1387-V1390 HydrophobicContact SD-CB 4.2Å |
| 1388 | V | 89.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -20.5 | -174.9 | -64 | 0 | 0 | 0 | 0 | 111.9 | M1315 Y1318 V1323 V1376 D1378 P1386 R1514 A1526 | M1315-V1388 HydrophobicContact CE-CG2 3.65Å; Y1318-V1388 HydrophobicContact CD1-CG1 3.94Å; Y1318-V1388 HydrophobicContact CG-CB 4.37Å; Y1318-V1388 HydrophobicContact CG-CG1 3.83Å; V1323-V1388 HydrophobicContact CG1-CG2 4.23Å; V1323-V1388 HydrophobicContact CG2-CB 3.99Å; V1323-V1388 HydrophobicContact CG2-CG1 3.94Å; V1323-V1388 HydrophobicContact CG2-CG2 3.99Å; V1376-V1388 HydrophobicContact CB-CG2 4.14Å; V1376-V1388 HydrophobicContact CG1-CG2 3.81Å; V1376-V1388 VanDerWaalsContact O-CG2 3.31Å; V1376-V1388 WeakPolarHBondContact O-CG2 3.1Å; V1376-V1388 PolarHBondContact O-N 2.96Å; D1378-V1388 HydrophobicContact CB-CG1 3.67Å; D1378-V1388 HydrophobicContact CB-CG2 4.36Å; P1386-V1388 HydrophobicContact CG-CG1 4.48Å; P1386-V1388 PolarHBondContact O-N 2.88Å; V1388-R1514 PolarHBondContact O-NH1 3.21Å; V1388-A1526 WeakPolarHBondContact O-CB 3.38Å |
| 1389 | G | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 152.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1376 S1513 | V1376-G1389 PolarHBondContact N-O 2.85Å; V1376-G1389 PolarHBondContact O-N 2.96Å; G1389-S1513 CarbonylContact C-O 3.52Å; G1389-S1513 VanDerWaalsContact CA-O 3.24Å; G1389-S1513 WeakPolarHBondContact CA-O 3.25Å |
| 1390 | V | 87.6 | Confident | 85.6 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 143.6 | -178.7 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | I1374 M1387 S1513 | I1374-V1390 WeakPolarHBondContact O-CA 2.81Å; M1387-V1390 HydrophobicContact CE-CB 4.37Å; M1387-V1390 HydrophobicContact CE-CG1 4.39Å; M1387-V1390 HydrophobicContact SD-CB 4.2Å; V1390-S1513 PolarHBondContact N-O 2.88Å; V1390-S1513 PolarHBondContact O-N 3.43Å; V1390-S1513 PolarHBondContact O-OG 3Å; V1390-S1513 VanDerWaalsContact O-OG 3.13Å |
| 1391 | H | 89.1 | Confident | 85.4 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 21% | 0.208 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.8 | 167.9 | -175.8 | 91 | 0 | 0 | 0 | 109.5 | I1374 F1510 T1511 L1512 | I1374-H1391 HydrophobicContact CB-CB 4.31Å; I1374-H1391 PolarHBondContact N-O 3.05Å; I1374-H1391 PolarHBondContact O-N 3.08Å; H1391-F1510 AromaticContact CD2-CD1 3.86Å; H1391-F1510 AromaticContact NE2-CD1 3.56Å; H1391-T1511 PolarHBondContact ND1-O 3.16Å; H1391-L1512 HydrophobicContact CB-CD2 4.05Å |
| 1392 | V | 83.7 | Confident | 85.3 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 22% | 0.218 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 109.7 | -179.4 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | P1371 T1394 | P1371-V1392 HydrophobicContact CB-CG1 3.67Å; P1371-V1392 HydrophobicContact CG-CG1 4.32Å; V1392-T1394 HydrophobicContact CG1-CG2 4.32Å |
| 1393 | L | 86.7 | Confident | 85 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.7 | 178.2 | -176.4 | 66.8 | 0 | 0 | 0 | 110.2 | P1371 M1372 F1396 F1399 F1510 F1533 | P1371-L1393 CarbonylContact C-O 3.28Å; P1371-L1393 WeakPolarHBondContact CA-O 3.3Å; P1371-L1393 WeakPolarHBondContact CB-O 3.43Å; M1372-L1393 HydrophobicContact CB-CB 4.32Å; M1372-L1393 HydrophobicContact CE-CB 4.4Å; M1372-L1393 HydrophobicContact CE-CD2 3.5Å; M1372-L1393 VanDerWaalsContact CE-CD2 3.5Å; M1372-L1393 PolarHBondContact N-O 3.45Å; M1372-L1393 PolarHBondContact O-N 3.35Å; L1393-F1396 HydrophobicContact CD2-CD1 4.15Å; L1393-F1396 HydrophobicContact CD2-CE1 4Å; L1393-F1396 HydrophobicContact CG-CE1 4.35Å; L1393-F1399 HydrophobicContact CD1-CE2 4.1Å; L1393-F1399 HydrophobicContact CD2-CD2 4.08Å; L1393-F1399 HydrophobicContact CD2-CE2 3.68Å; L1393-F1399 HydrophobicContact CD2-CZ 4.46Å; L1393-F1399 HydrophobicContact CG-CE2 4.44Å; L1393-F1510 HydrophobicContact CD1-CE1 4.07Å; L1393-F1533 HydrophobicContact CD2-CD2 4.07Å; L1393-F1533 HydrophobicContact CD2-CE2 3.88Å |
| 1394 | T | 78.6 | Confident | 84.9 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | trans | -108.3 | -25.9 | -176.6 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | P1371 V1392 | P1371-T1394 HydrophobicContact CB-CG2 4.04Å; V1392-T1394 HydrophobicContact CG1-CG2 4.32Å | ||
| 1395 | D | 81.6 | Confident | 84.4 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | trans | -104.9 | 123.7 | 177.5 | -178.4 | 12.3 | 0 | 0 | 0 | 110.7 | Q1397 | D1395-Q1397 WeakPolarHBondContact OD1-CB 3.39Å; D1395-Q1397 PolarHBondContact OD1-N 3.33Å | ||
| 1396 | F | 85.2 | Confident | 83.5 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | trans | -109.6 | -3.4 | -177.3 | -63.8 | -80.6 | 0 | 0 | 0 | 113.2 | I1332 L1369 P1370 M1372 L1393 A1398 F1399 K1400 I1535 | I1332-F1396 HydrophobicContact CD1-CE1 3.87Å; I1332-F1396 HydrophobicContact CD1-CE2 4.5Å; I1332-F1396 HydrophobicContact CD1-CZ 3.64Å; L1369-F1396 HydrophobicContact CB-CD2 4.16Å; L1369-F1396 HydrophobicContact CB-CE2 4.28Å; L1369-F1396 HydrophobicContact CD1-CB 4.37Å; L1369-F1396 HydrophobicContact CD1-CD2 4.09Å; P1370-F1396 VanDerWaalsContact O-CE2 3.24Å; P1370-F1396 WeakPolarHBondContact O-CE2 3.44Å; P1370-F1396 WeakPolarHBondContact O-CZ 3.31Å; M1372-F1396 HydrophobicContact CB-CE1 3.93Å; M1372-F1396 HydrophobicContact CB-CZ 3.89Å; M1372-F1396 HydrophobicContact CE-CE1 4.17Å; L1393-F1396 HydrophobicContact CD2-CD1 4.15Å; L1393-F1396 HydrophobicContact CD2-CE1 4Å; L1393-F1396 HydrophobicContact CG-CE1 4.35Å; F1396-A1398 VanDerWaalsContact C-N 3.29Å; F1396-A1398 PolarHBondContact O-N 2.7Å; F1396-F1399 PolarHBondContact O-N 3.08Å; F1396-K1400 PolarHBondContact O-N 3.41Å; F1396-I1535 HydrophobicContact CB-CD1 4.07Å; F1396-I1535 HydrophobicContact CD1-CD1 3.5Å; F1396-I1535 HydrophobicContact CE1-CD1 4.34Å; F1396-I1535 HydrophobicContact CG-CD1 4.15Å | ||
| 1397 | Q | 81.8 | Confident | 82.2 | Confident | 138 Ų | 138 | 52.5 Ų | 52.5 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -58.8 | -41.6 | -169.4 | -171.1 | 175.1 | -2.6 | 0 | 0 | 111.9 | D1395 F1399 K1400 | D1395-Q1397 WeakPolarHBondContact OD1-CB 3.39Å; D1395-Q1397 PolarHBondContact OD1-N 3.33Å; Q1397-F1399 PolarHBondContact O-N 2.74Å; Q1397-K1400 PolarHBondContact O-N 2.86Å |
| 1398 | A | 81.7 | Confident | 80.9 | Confident | 83 Ų | 83 | 56.9 Ų | 56.9 | 69% | 0.686 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -66.6 | -14.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1396 | F1396-A1398 VanDerWaalsContact C-N 3.29Å; F1396-A1398 PolarHBondContact O-N 2.7Å |
| 1399 | F | 89.3 | Confident | 79.5 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -107.9 | -7.7 | -175.3 | -52.7 | -65.9 | 0 | 0 | 0 | 113.8 | L1393 F1396 Q1397 N1508 F1510 F1533 R1534 I1535 | L1393-F1399 HydrophobicContact CD1-CE2 4.1Å; L1393-F1399 HydrophobicContact CD2-CD2 4.08Å; L1393-F1399 HydrophobicContact CD2-CE2 3.68Å; L1393-F1399 HydrophobicContact CD2-CZ 4.46Å; L1393-F1399 HydrophobicContact CG-CE2 4.44Å; F1396-F1399 PolarHBondContact O-N 3.08Å; Q1397-F1399 PolarHBondContact O-N 2.74Å; F1399-N1508 WeakPolarHBondContact CE1-OD1 3.16Å; F1399-F1510 HydrophobicContact CE1-CZ 4.45Å; F1399-F1510 HydrophobicContact CZ-CE1 4.3Å; F1399-F1510 AromaticContact CZ-CZ 3.95Å; F1399-F1510 HydrophobicContact CZ-CZ 3.95Å; F1399-F1533 HydrophobicContact CB-CB 3.93Å; F1399-F1533 HydrophobicContact CD1-CB 4.01Å; F1399-F1533 HydrophobicContact CD1-CD2 4.02Å; F1399-F1533 HydrophobicContact CD2-CD2 4.29Å; F1399-F1533 HydrophobicContact CE1-CD2 4.04Å; F1399-F1533 HydrophobicContact CE2-CD2 4.34Å; F1399-F1533 HydrophobicContact CG-CB 3.95Å; F1399-F1533 HydrophobicContact CG-CD2 4.16Å; F1399-F1533 HydrophobicContact CZ-CD2 4.21Å; F1399-R1534 WeakPolarHBondContact O-CA 3.17Å; F1399-I1535 HydrophobicContact CB-CD1 4.05Å; F1399-I1535 HydrophobicContact CB-CG1 4.22Å; F1399-I1535 PolarHBondContact O-N 2.77Å |
| 1400 | K | 86.7 | Confident | 78.1 | Confident | 83 Ų | 83 | 63 Ų | 63 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -74.6 | 131 | 178.4 | -74.5 | 176.5 | 177.3 | 168.4 | 0 | 111.2 | E1366 F1396 Q1397 I1535 | E1366-K1400 IonicContact OE1-NZ 3.31Å; E1366-K1400 PolarHBondContact OE1-NZ 2.65Å; E1366-K1400 IonicContact OE2-NZ 2.86Å; E1366-K1400 PolarHBondContact OE2-NZ 2.88Å; F1396-K1400 PolarHBondContact O-N 3.41Å; Q1397-K1400 PolarHBondContact O-N 2.86Å; K1400-I1535 WeakPolarHBondContact CA-O 3.34Å; K1400-I1535 HydrophobicContact CG-CB 4.38Å |
| 1401 | V | 84.6 | Confident | 77 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 22% | 0.218 | 38% | 0.381 | C | S | . | . | trans | -138.5 | 159.2 | 179.6 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | R1534 I1535 Y1536 Y1550 | V1401-R1534 HydrophobicContact CG2-CB 3.8Å; V1401-R1534 HydrophobicContact CG2-CG 4.38Å; V1401-I1535 PolarHBondContact N-O 2.75Å; V1401-Y1536 HydrophobicContact CG2-CD1 3.95Å; V1401-Y1536 VanDerWaalsContact O-CB 3.22Å; V1401-Y1536 WeakPolarHBondContact O-CB 3.34Å; V1401-Y1550 HydrophobicContact CB-CE2 4.16Å; V1401-Y1550 HydrophobicContact CG2-CD2 3.97Å; V1401-Y1550 HydrophobicContact CG2-CE2 3.48Å; V1401-Y1550 VanDerWaalsContact CG2-CE2 3.48Å | ||
| 1402 | P | 81.8 | Confident | 75.9 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 62% | 0.623 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 156.8 | 172.7 | 27.2 | -33.6 | 0 | 0 | 0 | 112 | Y1550 | P1402-Y1550 VanDerWaalsContact O-CE2 3.24Å; P1402-Y1550 WeakPolarHBondContact O-CE2 3.39Å; P1402-Y1550 PolarHBondContact O-OH 3.02Å |
| 1403 | A | 81.8 | Confident | 75.3 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 132.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1536 P1547 | A1403-Y1536 HydrophobicContact CB-CD2 4.21Å; A1403-P1547 HydrophobicContact CB-CB 4.01Å; A1403-P1547 HydrophobicContact CB-CG 3.84Å |
| 1404 | R | 79 | Confident | 74.9 | Confident | 27 Ų | 27 | 67 Ų | 67 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 138.7 | 179.1 | -64.9 | -178.2 | 67.5 | -177.8 | 5.2 | 112.3 | P1547 I1548 Y1550 | R1404-P1547 WeakPolarHBondContact O-CB 3.5Å; R1404-I1548 HydrophobicContact CB-CB 4.18Å; R1404-I1548 WeakPolarHBondContact CB-O 3.47Å; R1404-I1548 PolarHBondContact O-N 2.6Å; R1404-Y1550 HydrophobicContact CG-CD1 4.47Å; R1404-Y1550 HydrophobicContact CG-CD2 4.26Å; R1404-Y1550 HydrophobicContact CG-CE1 3.93Å; R1404-Y1550 HydrophobicContact CG-CE2 3.69Å |
| 1405 | T | 71.2 | Confident | 74.7 | Confident | 125 Ų | 125 | 67.7 Ų | 67.7 | 77% | 0.767 | 38% | 0.381 | S | S | * | . | trans | -111.2 | -26.4 | -176.7 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | D1409 | T1405-D1409 PolarHBondContact N-OD2 3.22Å; T1405-D1409 PolarHBondContact OG1-OD2 3.48Å | ||
| 1406 | S | 68.9 | Low | 74.5 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 29% | 0.287 | 38% | 0.378 | S | S | . | . | trans | -134.1 | 149.5 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 112.8 | T1408 D1409 | S1406-T1408 PolarHBondContact O-N 2.78Å; S1406-T1408 PolarHBondContact OG-N 2.85Å; S1406-T1408 PolarHBondContact OG-OG1 3.46Å; S1406-D1409 WeakPolarHBondContact CB-OD1 3.41Å; S1406-D1409 PolarHBondContact N-OD2 2.8Å; S1406-D1409 VanDerWaalsContact O-CB 3.32Å; S1406-D1409 WeakPolarHBondContact O-CB 3.5Å; S1406-D1409 PolarHBondContact O-N 3.41Å | ||
| 1407 | Q | 62.5 | Low | 74.1 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.2 | 170.4 | -73.4 | -171.3 | -16.2 | 0 | 0 | 112 | D1409 I1548 | Q1407-D1409 VanDerWaalsContact C-N 3.31Å; Q1407-I1548 HydrophobicContact CG-CD1 3.84Å; Q1407-I1548 HydrophobicContact CG-CG2 4.45Å; Q1407-I1548 VanDerWaalsContact N-CD1 3.33Å |
| 1408 | T | 57.7 | Low | 73.8 | Confident | 117 Ų | 117 | 60.5 Ų | 60.5 | 72% | 0.718 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.7 | 176 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | S1406 V1410 | S1406-T1408 PolarHBondContact O-N 2.78Å; S1406-T1408 PolarHBondContact OG-N 2.85Å; S1406-T1408 PolarHBondContact OG-OG1 3.46Å; T1408-V1410 PolarHBondContact O-N 3.35Å |
| 1409 | D | 61.4 | Low | 73.5 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | trans | -61.4 | 106.7 | 174.1 | -71.2 | -16.4 | 0 | 0 | 0 | 107.7 | T1405 S1406 Q1407 L1411 | T1405-D1409 PolarHBondContact N-OD2 3.22Å; T1405-D1409 PolarHBondContact OG1-OD2 3.48Å; S1406-D1409 WeakPolarHBondContact CB-OD1 3.41Å; S1406-D1409 PolarHBondContact N-OD2 2.8Å; S1406-D1409 VanDerWaalsContact O-CB 3.32Å; S1406-D1409 WeakPolarHBondContact O-CB 3.5Å; S1406-D1409 PolarHBondContact O-N 3.41Å; Q1407-D1409 VanDerWaalsContact C-N 3.31Å; D1409-L1411 PolarHBondContact O-N 3.27Å | ||
| 1410 | V | 58.6 | Low | 72.7 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 44% | 0.442 | 35% | 0.349 | S | S | . | . | trans | -65.1 | 121.2 | 179.4 | -172 | 0 | 0 | 0 | 0 | 107.4 | T1408 M1412 L1696 | T1408-V1410 PolarHBondContact O-N 3.35Å; V1410-M1412 VanDerWaalsContact C-N 3.27Å; V1410-M1412 VanDerWaalsContact CG1-C 3.48Å; V1410-M1412 VanDerWaalsContact CG1-O 3.29Å; V1410-M1412 WeakPolarHBondContact CG1-O 3.27Å; V1410-M1412 PolarHBondContact O-N 2.93Å; V1410-L1696 HydrophobicContact CG1-CD2 3.59Å | ||
| 1411 | L | 64.3 | Low | 72 | Confident | 82 Ų | 82 | 59 Ų | 59 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -58.9 | -44.4 | 179.9 | -70.9 | 170.3 | 0 | 0 | 0 | 110.5 | D1409 Y1550 | D1409-L1411 PolarHBondContact O-N 3.27Å; L1411-Y1550 HydrophobicContact CD2-CD1 4.23Å; L1411-Y1550 HydrophobicContact CD2-CE1 4.12Å |
| 1412 | M | 67.5 | Low | 71.2 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 23% | 0.232 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -150.9 | 126.2 | 172.2 | -67.3 | 174.2 | 70 | 0 | 0 | 109.3 | V1410 V1416 L1417 I1420 Y1694 | V1410-M1412 VanDerWaalsContact C-N 3.27Å; V1410-M1412 VanDerWaalsContact CG1-C 3.48Å; V1410-M1412 VanDerWaalsContact CG1-O 3.29Å; V1410-M1412 WeakPolarHBondContact CG1-O 3.27Å; V1410-M1412 PolarHBondContact O-N 2.93Å; M1412-V1416 HydrophobicContact CE-CG1 4.04Å; M1412-L1417 HydrophobicContact CB-CD2 4.31Å; M1412-L1417 HydrophobicContact CB-CG 4.21Å; M1412-L1417 HydrophobicContact CE-CD2 3.57Å; M1412-L1417 HydrophobicContact CE-CG 4.26Å; M1412-L1417 HydrophobicContact SD-CD2 4.06Å; M1412-I1420 HydrophobicContact CE-CD1 3.16Å; M1412-Y1694 HydrophobicContact CB-CD1 4.39Å; M1412-Y1694 HydrophobicContact SD-CE1 4.19Å |
| 1413 | D | 71.5 | Confident | 70.2 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | trans | -68.8 | 154.4 | 173.6 | -172.1 | 18 | 0 | 0 | 0 | 110.7 | Q1415 V1416 L1417 | D1413-Q1415 PolarHBondContact O-N 2.8Å; D1413-V1416 HydrophobicContact CB-CG2 4.5Å; D1413-V1416 PolarHBondContact O-N 2.66Å; D1413-V1416 VanDerWaalsContact O-N 3.07Å; D1413-L1417 PolarHBondContact O-N 2.91Å; D1413-L1417 VanDerWaalsContact O-N 3.12Å | ||
| 1414 | I | 77.3 | Confident | 69 | Low | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.6 | -30.9 | 179.5 | -167.2 | 155.9 | 0 | 0 | 0 | 112.2 | L1417 T1418 L1696 V1715 R1718 F1720 L1750 | I1414-L1417 PolarHBondContact O-N 2.92Å; I1414-T1418 WeakPolarHBondContact O-CG2 3.45Å; I1414-T1418 PolarHBondContact O-N 2.91Å; I1414-T1418 PolarHBondContact O-OG1 2.89Å; I1414-L1696 HydrophobicContact CB-CD1 4.45Å; I1414-V1715 HydrophobicContact CD1-CB 3.61Å; I1414-V1715 HydrophobicContact CD1-CG1 3.38Å; I1414-R1718 HydrophobicContact CG2-CB 4.06Å; I1414-F1720 HydrophobicContact CD1-CE2 3.94Å; I1414-F1720 HydrophobicContact CD1-CZ 4.14Å; I1414-L1750 HydrophobicContact CD1-CD2 4.45Å; I1414-L1750 HydrophobicContact CG1-CD2 4.09Å |
| 1415 | Q | 75.1 | Confident | 67.8 | Low | 76 Ų | 76 | 65.8 Ų | 65.8 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.1 | -174.8 | 55.9 | 41.5 | 0 | 0 | 111.4 | D1413 L1417 T1418 D1419 | D1413-Q1415 PolarHBondContact O-N 2.8Å; Q1415-L1417 VanDerWaalsContact C-N 3.33Å; Q1415-L1417 PolarHBondContact O-N 3.29Å; Q1415-T1418 WeakPolarHBondContact CA-OG1 3.45Å; Q1415-T1418 PolarHBondContact O-N 2.84Å; Q1415-T1418 VanDerWaalsContact O-N 3.15Å; Q1415-T1418 PolarHBondContact O-OG1 2.56Å; Q1415-D1419 VanDerWaalsContact NE2-CG 3.31Å; Q1415-D1419 PolarHBondContact NE2-OD1 3.07Å; Q1415-D1419 PolarHBondContact NE2-OD2 2.63Å; Q1415-D1419 VanDerWaalsContact NE2-OD2 3.07Å; Q1415-D1419 PolarHBondContact O-N 3.35Å |
| 1416 | V | 75.9 | Confident | 66.9 | Low | 70 Ų | 70 | 63.4 Ų | 63.4 | 42% | 0.424 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | M1412 D1413 T1418 D1419 I1420 | M1412-V1416 HydrophobicContact CE-CG1 4.04Å; D1413-V1416 HydrophobicContact CB-CG2 4.5Å; D1413-V1416 PolarHBondContact O-N 2.66Å; D1413-V1416 VanDerWaalsContact O-N 3.07Å; V1416-T1418 VanDerWaalsContact C-N 3.35Å; V1416-T1418 PolarHBondContact O-N 2.76Å; V1416-D1419 PolarHBondContact O-N 3.09Å; V1416-I1420 HydrophobicContact CG1-CD1 3.93Å; V1416-I1420 VanDerWaalsContact O-CG1 3.3Å; V1416-I1420 WeakPolarHBondContact O-CG1 3.41Å; V1416-I1420 PolarHBondContact O-N 3.19Å |
| 1417 | L | 76.8 | Confident | 66 | Low | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.8 | -70.1 | 169.6 | 0 | 0 | 0 | 111.8 | M1412 D1413 I1414 Q1415 D1419 A1421 Y1694 L1696 L1750 P1751 | M1412-L1417 HydrophobicContact CB-CD2 4.31Å; M1412-L1417 HydrophobicContact CB-CG 4.21Å; M1412-L1417 HydrophobicContact CE-CD2 3.57Å; M1412-L1417 HydrophobicContact CE-CG 4.26Å; M1412-L1417 HydrophobicContact SD-CD2 4.06Å; D1413-L1417 PolarHBondContact O-N 2.91Å; D1413-L1417 VanDerWaalsContact O-N 3.12Å; I1414-L1417 PolarHBondContact O-N 2.92Å; Q1415-L1417 VanDerWaalsContact C-N 3.33Å; Q1415-L1417 PolarHBondContact O-N 3.29Å; L1417-D1419 VanDerWaalsContact C-N 3.34Å; L1417-A1421 WeakPolarHBondContact O-CB 3.2Å; L1417-A1421 PolarHBondContact O-N 3.37Å; L1417-Y1694 HydrophobicContact CD1-CD1 4.07Å; L1417-Y1694 HydrophobicContact CD1-CD2 4.05Å; L1417-Y1694 HydrophobicContact CD1-CE1 4.26Å; L1417-Y1694 HydrophobicContact CD1-CE2 4.26Å; L1417-Y1694 HydrophobicContact CD1-CG 3.97Å; L1417-Y1694 HydrophobicContact CD2-CD1 4.2Å; L1417-Y1694 HydrophobicContact CD2-CE1 3.65Å; L1417-Y1694 HydrophobicContact CD2-CE2 4.43Å; L1417-L1696 HydrophobicContact CD1-CD1 4.49Å; L1417-L1750 HydrophobicContact CB-CD2 4Å; L1417-P1751 HydrophobicContact CD2-CG 4.05Å; L1417-P1751 WeakPolarHBondContact O-CD 3.5Å |
| 1418 | T | 76.2 | Confident | 65.5 | Low | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.049 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 176.8 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | I1414 Q1415 V1416 A1421 C1422 R1718 K1749 L1750 | I1414-T1418 WeakPolarHBondContact O-CG2 3.45Å; I1414-T1418 PolarHBondContact O-N 2.91Å; I1414-T1418 PolarHBondContact O-OG1 2.89Å; Q1415-T1418 WeakPolarHBondContact CA-OG1 3.45Å; Q1415-T1418 PolarHBondContact O-N 2.84Å; Q1415-T1418 VanDerWaalsContact O-N 3.15Å; Q1415-T1418 PolarHBondContact O-OG1 2.56Å; V1416-T1418 VanDerWaalsContact C-N 3.35Å; V1416-T1418 PolarHBondContact O-N 2.76Å; T1418-A1421 PolarHBondContact O-N 2.83Å; T1418-C1422 PolarHBondContact O-N 3.17Å; T1418-R1718 PolarHBondContact OG1-NH1 2.63Å; T1418-K1749 WeakPolarHBondContact CA-O 3.33Å; T1418-K1749 HydrophobicContact CG2-CB 4.13Å; T1418-K1749 WeakPolarHBondContact CG2-O 3.02Å; T1418-L1750 HydrophobicContact CG2-CD2 4.26Å |
| 1419 | D | 75.6 | Confident | 65.2 | Low | 82 Ų | 82 | 61.4 Ų | 61.4 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.5 | -40.3 | 179.5 | -66.1 | -24.1 | 0 | 0 | 0 | 111 | Q1415 V1416 L1417 C1422 S1423 | Q1415-D1419 VanDerWaalsContact NE2-CG 3.31Å; Q1415-D1419 PolarHBondContact NE2-OD1 3.07Å; Q1415-D1419 PolarHBondContact NE2-OD2 2.63Å; Q1415-D1419 VanDerWaalsContact NE2-OD2 3.07Å; Q1415-D1419 PolarHBondContact O-N 3.35Å; V1416-D1419 PolarHBondContact O-N 3.09Å; L1417-D1419 VanDerWaalsContact C-N 3.34Å; D1419-C1422 WeakPolarHBondContact O-CB 3.34Å; D1419-C1422 PolarHBondContact O-N 3.34Å; D1419-C1422 VanDerWaalsContact O-N 3.16Å; D1419-S1423 PolarHBondContact O-N 3.21Å; D1419-S1423 PolarHBondContact O-OG 3.1Å |
| 1420 | I | 72 | Confident | 64.3 | Low | 57 Ų | 57 | 62.3 Ų | 62.3 | 29% | 0.292 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.6 | -50 | 171.7 | -70 | 164.6 | 0 | 0 | 0 | 109.9 | M1412 V1416 C1422 S1423 T1424 P1751 | M1412-I1420 HydrophobicContact CE-CD1 3.16Å; V1416-I1420 HydrophobicContact CG1-CD1 3.93Å; V1416-I1420 VanDerWaalsContact O-CG1 3.3Å; V1416-I1420 WeakPolarHBondContact O-CG1 3.41Å; V1416-I1420 PolarHBondContact O-N 3.19Å; I1420-C1422 PolarHBondContact O-N 3.23Å; I1420-S1423 WeakPolarHBondContact CA-OG 3.3Å; I1420-S1423 PolarHBondContact O-N 3.32Å; I1420-S1423 PolarHBondContact O-OG 3.34Å; I1420-T1424 HydrophobicContact CG2-CG2 4.09Å; I1420-T1424 WeakPolarHBondContact O-CG2 3.32Å; I1420-T1424 PolarHBondContact O-N 3.07Å; I1420-T1424 PolarHBondContact O-OG1 3.32Å; I1420-T1424 VanDerWaalsContact O-OG1 3.08Å; I1420-P1751 HydrophobicContact CG2-CB 4.3Å |
| 1421 | A | 71.9 | Confident | 63.4 | Low | 10 Ų | 10 | 66.1 Ų | 66.1 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -26.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1417 T1418 K1749 P1751 | L1417-A1421 WeakPolarHBondContact O-CB 3.2Å; L1417-A1421 PolarHBondContact O-N 3.37Å; T1418-A1421 PolarHBondContact O-N 2.83Å; A1421-K1749 WeakPolarHBondContact CB-O 3.07Å; A1421-P1751 HydrophobicContact CB-CB 4.22Å |
| 1422 | C | 67.4 | Low | 62.2 | Low | 87 Ų | 87 | 64.8 Ų | 64.8 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -78.3 | -35.8 | 172.7 | -86.5 | 0 | 0 | 0 | 0 | 112.5 | T1418 D1419 I1420 | T1418-C1422 PolarHBondContact O-N 3.17Å; D1419-C1422 WeakPolarHBondContact O-CB 3.34Å; D1419-C1422 PolarHBondContact O-N 3.34Å; D1419-C1422 VanDerWaalsContact O-N 3.16Å; I1420-C1422 PolarHBondContact O-N 3.23Å |
| 1423 | S | 60.7 | Low | 60.8 | Low | 95 Ų | 95 | 72.4 Ų | 72.4 | 66% | 0.664 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -73.7 | -30.2 | 176.8 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | D1419 I1420 | D1419-S1423 PolarHBondContact O-N 3.21Å; D1419-S1423 PolarHBondContact O-OG 3.1Å; I1420-S1423 WeakPolarHBondContact CA-OG 3.3Å; I1420-S1423 PolarHBondContact O-N 3.32Å; I1420-S1423 PolarHBondContact O-OG 3.34Å |
| 1424 | T | 57 | Low | 59.3 | Low | 42 Ų | 42 | 74 Ų | 74 | 26% | 0.258 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 8.7 | -175.7 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | I1420 E1426 | I1420-T1424 HydrophobicContact CG2-CG2 4.09Å; I1420-T1424 WeakPolarHBondContact O-CG2 3.32Å; I1420-T1424 PolarHBondContact O-N 3.07Å; I1420-T1424 PolarHBondContact O-OG1 3.32Å; I1420-T1424 VanDerWaalsContact O-OG1 3.08Å; T1424-E1426 VanDerWaalsContact C-N 3.28Å; T1424-E1426 PolarHBondContact O-N 3.11Å |
| 1425 | Q | 54.3 | Low | 57.2 | Low | 117 Ų | 117 | 82 Ų | 82 | 55% | 0.547 | 45% | 0.453 | S | S | . | . | trans | -75.4 | 84.1 | 175.1 | -81.2 | -178.2 | 18.3 | 0 | 0 | 110.2 | ||||
| 1426 | E | 52.2 | Low | 55.2 | Low | 74 Ų | 74 | 86.1 Ų | 86.1 | 35% | 0.346 | 48% | 0.477 | S | S | . | . | trans | -55 | 144.1 | 157.5 | -88.6 | -171.3 | 131 | 0 | 0 | 109.7 | T1424 C1428 H1492 | T1424-E1426 VanDerWaalsContact C-N 3.28Å; T1424-E1426 PolarHBondContact O-N 3.11Å; E1426-C1428 PolarHBondContact O-N 3.05Å; E1426-H1492 IonicContact OE2-NE2 2.79Å | ||
| 1427 | P | 49.3 | Very low | 53.1 | Low | 121 Ų | 121 | 91.4 Ų | 91.4 | 79% | 0.786 | 50% | 0.497 | S | S | * | . | trans | -66.4 | 100.6 | 168.8 | 27.7 | -30.1 | 0 | 0 | 0 | 108.3 | ||||
| 1428 | C | 52.9 | Low | 50.8 | Low | 42 Ų | 42 | 96 Ų | 96 | 28% | 0.284 | 53% | 0.53 | S | S | . | . | trans | -44.3 | 147.8 | 155.7 | -61.5 | 0 | 0 | 0 | 0 | 108.5 | E1426 A1430 | E1426-C1428 PolarHBondContact O-N 3.05Å; C1428-A1430 WeakPolarHBondContact O-CA 3.42Å; C1428-A1430 PolarHBondContact O-N 3.31Å | ||
| 1429 | L | 50.6 | Low | 48.8 | Very low | 90 Ų | 90 | 101.3 Ų | 101.3 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -36 | 109.5 | 179.6 | -74.5 | 171.8 | 0 | 0 | 0 | 110.1 | E1431 V1489 | L1429-E1431 PolarHBondContact O-N 2.99Å; L1429-V1489 HydrophobicContact CD1-CB 4.38Å; L1429-V1489 HydrophobicContact CD1-CG1 4.01Å |
| 1430 | A | 42.7 | Very low | 46.9 | Very low | 76 Ų | 76 | 103.8 Ų | 103.8 | 63% | 0.628 | 58% | 0.582 | S | S | * | * | trans | -41 | 126.1 | -148.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C1428 P1432 | C1428-A1430 WeakPolarHBondContact O-CA 3.42Å; C1428-A1430 PolarHBondContact O-N 3.31Å; A1430-P1432 WeakPolarHBondContact O-CD 3.5Å; A1430-P1432 WeakPolarHBondContact O-CG 3.37Å | ||
| 1431 | E | 39.8 | Very low | 45 | Very low | 152 Ų | 152 | 110.9 Ų | 110.9 | 71% | 0.71 | 61% | 0.611 | S | S | * | * | trans | -55.9 | 109.9 | 159.2 | -76 | -168.3 | 166.5 | 0 | 0 | 107.6 | L1429 K1433 | L1429-E1431 PolarHBondContact O-N 2.99Å; E1431-K1433 PolarHBondContact O-N 3.5Å; E1431-K1433 VanDerWaalsContact O-N 3.08Å | ||
| 1432 | P | 40.4 | Very low | 43.2 | Very low | 54 Ų | 54 | 115.3 Ų | 115.3 | 35% | 0.351 | 64% | 0.641 | S | S | . | * | trans | -67.2 | 119.9 | -179.8 | -18.7 | 34.4 | 0 | 0 | 0 | 107.2 | A1430 V1434 W1473 | A1430-P1432 WeakPolarHBondContact O-CD 3.5Å; A1430-P1432 WeakPolarHBondContact O-CG 3.37Å; P1432-V1434 PolarHBondContact O-N 3.19Å; P1432-W1473 HydrophobicContact CB-CZ2 3.87Å; P1432-W1473 VanDerWaalsContact CD-CZ2 3.5Å; P1432-W1473 HydrophobicContact CG-CH2 4.3Å; P1432-W1473 HydrophobicContact CG-CZ2 3.44Å; P1432-W1473 VanDerWaalsContact CG-CZ2 3.44Å | ||
| 1433 | K | 37.9 | Very low | 41.5 | Very low | 208 Ų | 208 | 121.4 Ų | 121.4 | 90% | 0.904 | 66% | 0.657 | S | S | * | * | trans | -59 | 85 | 171 | -73.4 | -179.2 | 179.1 | 174.3 | 0 | 108.7 | E1431 E1435 | E1431-K1433 PolarHBondContact O-N 3.5Å; E1431-K1433 VanDerWaalsContact O-N 3.08Å; K1433-E1435 PolarHBondContact O-N 2.82Å | ||
| 1434 | V | 40.1 | Very low | 40.3 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 52% | 0.521 | 65% | 0.653 | S | S | . | * | trans | -80.3 | 105.8 | 166.1 | -179.8 | 0 | 0 | 0 | 0 | 105.6 | P1432 L1436 W1473 | P1432-V1434 PolarHBondContact O-N 3.19Å; V1434-L1436 VanDerWaalsContact C-N 3.31Å; V1434-L1436 PolarHBondContact O-N 3.36Å; V1434-W1473 HydrophobicContact CG2-CZ2 4.49Å | ||
| 1435 | E | 31.3 | Very low | 39.2 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | -53.4 | 98.2 | 166.4 | -69.6 | -178.8 | 163.5 | 0 | 0 | 107.9 | K1433 Q1437 | K1433-E1435 PolarHBondContact O-N 2.82Å; E1435-Q1437 VanDerWaalsContact C-N 3.26Å; E1435-Q1437 PolarHBondContact O-N 3.26Å | ||
| 1436 | L | 34.5 | Very low | 38.2 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | trans | -59.8 | 99.4 | 165.1 | -97.3 | 122.7 | 0 | 0 | 0 | 106.1 | V1434 S1438 | V1434-L1436 VanDerWaalsContact C-N 3.31Å; V1434-L1436 PolarHBondContact O-N 3.36Å; L1436-S1438 PolarHBondContact O-N 3.28Å | ||
| 1437 | Q | 31.2 | Very low | 37.3 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -51.7 | 110.1 | 170.4 | -74.5 | -177.9 | -3.6 | 0 | 0 | 107.1 | E1435 | E1435-Q1437 VanDerWaalsContact C-N 3.26Å; E1435-Q1437 PolarHBondContact O-N 3.26Å | ||
| 1438 | S | 29.1 | Very low | 36.8 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | -49 | 125.4 | -175.2 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | L1436 V1440 | L1436-S1438 PolarHBondContact O-N 3.28Å; S1438-V1440 PolarHBondContact O-N 2.93Å | ||
| 1439 | P | 34.8 | Very low | 36.1 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -59.2 | 115.6 | 178.1 | -20.2 | 30.3 | 0 | 0 | 0 | 108.9 | K1441 | P1439-K1441 PolarHBondContact O-N 2.79Š| ||
| 1440 | V | 33.6 | Very low | 35.7 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -52.6 | 124.6 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 107.9 | S1438 S1442 | S1438-V1440 PolarHBondContact O-N 2.93Å; V1440-S1442 VanDerWaalsContact C-N 3.31Å; V1440-S1442 PolarHBondContact O-N 3.33Å | ||
| 1441 | K | 32.9 | Very low | 35.9 | Very low | 206 Ų | 206 | 150.8 Ų | 150.8 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | trans | -57.7 | 80.6 | -176 | -65.6 | 172.6 | 178.1 | 171.3 | 0 | 112.1 | P1439 | P1439-K1441 PolarHBondContact O-N 2.79Š| ||
| 1442 | S | 34.7 | Very low | 36.4 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -97 | 103.3 | 160.8 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | V1440 S1444 | V1440-S1442 VanDerWaalsContact C-N 3.31Å; V1440-S1442 PolarHBondContact O-N 3.33Å; S1442-S1444 PolarHBondContact O-N 3.44Å | ||
| 1443 | K | 31.2 | Very low | 36.8 | Very low | 216 Ų | 216 | 151 Ų | 151 | 94% | 0.939 | 75% | 0.749 | S | S | * | * | trans | -62.5 | 96.4 | 173.5 | -68.6 | 175.1 | 176.9 | 174 | 0 | 109.9 | ||||
| 1444 | S | 35.7 | Very low | 37.6 | Very low | 82 Ų | 82 | 150 Ų | 150 | 57% | 0.573 | 74% | 0.744 | S | S | * | * | trans | -138.7 | 121.3 | 157.2 | 60 | 0 | 0 | 0 | 0 | 109.3 | S1442 Q1446 | S1442-S1444 PolarHBondContact O-N 3.44Å; S1444-Q1446 PolarHBondContact O-N 3.19Å | ||
| 1445 | K | 34.8 | Very low | 38.1 | Very low | 223 Ų | 223 | 152 Ų | 152 | 97% | 0.97 | 75% | 0.748 | S | S | * | * | trans | -66.9 | 78.4 | 176.3 | -71.5 | 176.2 | 174.2 | 177.7 | 0 | 109.1 | ||||
| 1446 | Q | 31.9 | Very low | 39.3 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | -92.9 | 114.8 | 166.4 | -83 | -177.1 | -17 | 0 | 0 | 108.6 | S1444 K1448 | S1444-Q1446 PolarHBondContact O-N 3.19Å; Q1446-K1448 PolarHBondContact O-N 3.27Å | ||
| 1447 | K | 35 | Very low | 40.5 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | trans | -44.8 | 121.5 | 167.7 | -76.6 | 175.8 | 171.4 | 179.1 | 0 | 108.1 | K1449 | K1447-K1449 VanDerWaalsContact C-N 3.26Å; K1447-K1449 PolarHBondContact O-N 3.23Å | ||
| 1448 | K | 38.2 | Very low | 42.1 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | trans | -56.8 | 91.4 | 171 | -80.2 | -176.8 | 174 | -175.9 | 0 | 108 | Q1446 F1450 | Q1446-K1448 PolarHBondContact O-N 3.27Å; K1448-F1450 PolarHBondContact O-N 3.08Å | ||
| 1449 | K | 38.2 | Very low | 44.1 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.865 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 121.1 | 164.3 | -115 | -178.3 | 173.8 | -174.6 | 0 | 104.9 | K1447 M1451 | K1447-K1449 VanDerWaalsContact C-N 3.26Å; K1447-K1449 PolarHBondContact O-N 3.23Å; K1449-M1451 PolarHBondContact O-N 2.74Å |
| 1450 | F | 42.3 | Very low | 46.2 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 69% | 0.689 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 130.8 | 160.9 | -91.6 | -97 | 0 | 0 | 0 | 107.3 | K1448 D1452 P1731 | K1448-F1450 PolarHBondContact O-N 3.08Å; F1450-D1452 PolarHBondContact O-N 2.83Å; F1450-D1452 VanDerWaalsContact O-N 3.17Å; F1450-P1731 HydrophobicContact CD1-CB 4.34Å; F1450-P1731 HydrophobicContact CE1-CB 4.27Å |
| 1451 | M | 46.5 | Very low | 48.6 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 34% | 0.335 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 122.1 | 171.6 | -138 | 176.1 | 98.6 | 0 | 0 | 106.4 | K1449 Q1455 F1482 | K1449-M1451 PolarHBondContact O-N 2.74Å; M1451-Q1455 HydrophobicContact CE-CB 3.58Å; M1451-Q1455 WeakPolarHBondContact CE-O 3.11Å; M1451-Q1455 HydrophobicContact CG-CB 4.13Å; M1451-F1482 HydrophobicContact CE-CD1 4.02Å; M1451-F1482 HydrophobicContact CE-CE1 3.28Å; M1451-F1482 HydrophobicContact CE-CZ 3.76Å; M1451-F1482 HydrophobicContact SD-CD1 4.22Å; M1451-F1482 HydrophobicContact SD-CE1 3.82Å |
| 1452 | D | 49.8 | Very low | 51.2 | Low | 99 Ų | 99 | 121 Ų | 121 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 138.8 | 179.4 | -165.5 | -6.8 | 0 | 0 | 0 | 108 | F1450 K1454 Q1455 | F1450-D1452 PolarHBondContact O-N 2.83Å; F1450-D1452 VanDerWaalsContact O-N 3.17Å; D1452-K1454 PolarHBondContact O-N 3Å; D1452-Q1455 WeakPolarHBondContact O-CB 3.43Å; D1452-Q1455 PolarHBondContact O-N 2.91Å |
| 1453 | L | 50 | Low | 53.7 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -52.7 | -25 | -179.5 | -83.1 | 148.2 | 0 | 0 | 0 | 111.9 | Q1455 I1456 P1733 | L1453-Q1455 PolarHBondContact O-N 2.87Å; L1453-I1456 HydrophobicContact CD2-CD1 3.8Å; L1453-I1456 PolarHBondContact O-N 3.24Å; L1453-P1733 HydrophobicContact CD2-CB 4.08Å; L1453-P1733 HydrophobicContact CD2-CG 4.42Å; L1453-P1733 HydrophobicContact CG-CB 4.41Å |
| 1454 | K | 53.1 | Low | 56.4 | Low | 187 Ų | 187 | 106 Ų | 106 | 81% | 0.813 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -69.8 | -8.5 | 174.7 | -63.6 | -173.8 | 177.4 | -176.2 | 0 | 115.4 | D1452 | D1452-K1454 PolarHBondContact O-N 3Š|
| 1455 | Q | 52.5 | Low | 59 | Low | 129 Ų | 129 | 102.1 Ų | 102.1 | 60% | 0.603 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -98.2 | -2.6 | 176 | -68.9 | -173.1 | -9 | 0 | 0 | 113.1 | M1451 D1452 L1453 | M1451-Q1455 HydrophobicContact CE-CB 3.58Å; M1451-Q1455 WeakPolarHBondContact CE-O 3.11Å; M1451-Q1455 HydrophobicContact CG-CB 4.13Å; D1452-Q1455 WeakPolarHBondContact O-CB 3.43Å; D1452-Q1455 PolarHBondContact O-N 2.91Å; L1453-Q1455 PolarHBondContact O-N 2.87Å |
| 1456 | I | 56.5 | Low | 61.6 | Low | 28 Ų | 28 | 91.5 Ų | 91.5 | 14% | 0.144 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -72 | 132.3 | 173.7 | -58 | 175.3 | 0 | 0 | 0 | 107.4 | L1453 D1458 P1733 | L1453-I1456 HydrophobicContact CD2-CD1 3.8Å; L1453-I1456 PolarHBondContact O-N 3.24Å; I1456-D1458 PolarHBondContact O-N 3.35Å; I1456-P1733 HydrophobicContact CD1-CG 3.53Å; I1456-P1733 HydrophobicContact CG1-CG 4.41Å |
| 1457 | D | 57.8 | Low | 64.3 | Low | 49 Ų | 49 | 83.5 Ų | 83.5 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | trans | -72.4 | 107.6 | 173.6 | -167.8 | -9.5 | 0 | 0 | 0 | 108 | K1459 I1460 | D1457-K1459 PolarHBondContact O-N 3.21Å; D1457-K1459 VanDerWaalsContact OD1-CB 3.27Å; D1457-K1459 WeakPolarHBondContact OD1-CB 3.39Å; D1457-K1459 WeakPolarHBondContact OD1-CD 3.19Å; D1457-K1459 VanDerWaalsContact OD1-CG 3.26Å; D1457-K1459 WeakPolarHBondContact OD1-CG 3.3Å; D1457-K1459 PolarHBondContact OD1-N 3.45Å; D1457-I1460 HydrophobicContact CB-CD1 4.4Å; D1457-I1460 HydrophobicContact CB-CG1 4.31Å; D1457-I1460 PolarHBondContact O-N 2.67Å | ||
| 1458 | D | 64.8 | Low | 66.7 | Low | 156 Ų | 156 | 74 Ų | 74 | 83% | 0.834 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -10.4 | 177.4 | -52.7 | -25.4 | 0 | 0 | 0 | 112.9 | I1456 | I1456-D1458 PolarHBondContact O-N 3.35Š|
| 1459 | K | 71.4 | Confident | 69.1 | Low | 119 Ų | 119 | 66.4 Ų | 66.4 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -5.7 | 178 | -58 | 175.7 | -176.9 | 175.7 | 0 | 114.4 | D1457 D1461 L1477 | D1457-K1459 PolarHBondContact O-N 3.21Å; D1457-K1459 VanDerWaalsContact OD1-CB 3.27Å; D1457-K1459 WeakPolarHBondContact OD1-CB 3.39Å; D1457-K1459 WeakPolarHBondContact OD1-CD 3.19Å; D1457-K1459 VanDerWaalsContact OD1-CG 3.26Å; D1457-K1459 WeakPolarHBondContact OD1-CG 3.3Å; D1457-K1459 PolarHBondContact OD1-N 3.45Å; K1459-D1461 PolarHBondContact O-N 3.35Å; K1459-L1477 HydrophobicContact CB-CD1 3.96Å; K1459-L1477 WeakPolarHBondContact O-CD1 3.33Å |
| 1460 | I | 78.8 | Confident | 71.3 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | trans | -73.2 | 116 | 176.6 | -70.9 | 176.2 | 0 | 0 | 0 | 110.3 | D1457 L1477 Y1479 F1482 Y1484 P1674 | D1457-I1460 HydrophobicContact CB-CD1 4.4Å; D1457-I1460 HydrophobicContact CB-CG1 4.31Å; D1457-I1460 PolarHBondContact O-N 2.67Å; I1460-L1477 HydrophobicContact CG1-CD1 4.35Å; I1460-Y1479 HydrophobicContact CG2-CD2 3.55Å; I1460-Y1479 HydrophobicContact CG2-CE2 4.03Å; I1460-F1482 HydrophobicContact CD1-CD2 3.44Å; I1460-F1482 VanDerWaalsContact CD1-CD2 3.44Å; I1460-F1482 HydrophobicContact CD1-CE2 3.43Å; I1460-F1482 VanDerWaalsContact CD1-CE2 3.43Å; I1460-Y1484 HydrophobicContact CD1-CE2 4.27Å; I1460-Y1484 HydrophobicContact CG2-CE2 4.34Å; I1460-P1674 HydrophobicContact CG2-CB 4.32Å; I1460-P1674 HydrophobicContact CG2-CG 3.89Å | ||
| 1461 | D | 83.8 | Confident | 73.1 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | trans | -122.6 | -174.7 | -176.9 | 60.9 | 1.6 | 0 | 0 | 0 | 112.2 | K1459 W1463 S1464 R1798 | K1459-D1461 PolarHBondContact O-N 3.35Å; D1461-W1463 PolarHBondContact OD1-N 2.9Å; D1461-S1464 PolarHBondContact N-OG 2.85Å; D1461-S1464 WeakPolarHBondContact O-CB 3.49Å; D1461-S1464 PolarHBondContact O-N 3.27Å; D1461-S1464 WeakPolarHBondContact OD1-CB 3.48Å; D1461-S1464 PolarHBondContact OD1-N 2.74Å; D1461-S1464 PolarHBondContact OD1-OG 2.92Å; D1461-R1798 IonicContact OD1-CZ 2.67Å; D1461-R1798 IonicContact OD1-NE 3.87Å; D1461-R1798 PolarHBondContact OD1-NE 2.87Å; D1461-R1798 IonicContact OD1-NH2 2.67Å; D1461-R1798 PolarHBondContact OD1-NH2 2.82Å; D1461-R1798 VanDerWaalsContact OD2-CG 3.25Å; D1461-R1798 WeakPolarHBondContact OD2-CG 3.5Å; D1461-R1798 IonicContact OD2-CZ 3.11Å; D1461-R1798 IonicContact OD2-NE 3.41Å; D1461-R1798 PolarHBondContact OD2-NE 2.76Å; D1461-R1798 IonicContact OD2-NH2 3.61Å | ||
| 1462 | W | 88.3 | Confident | 74.6 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -35 | 176.8 | -178.8 | 90.2 | 0 | 0 | 0 | 112.9 | S1464 K1465 F1466 I1487 I1570 V1757 W1778 F1793 D1794 I1795 | W1462-S1464 PolarHBondContact O-N 3.38Å; W1462-K1465 WeakPolarHBondContact O-CA 3.29Å; W1462-K1465 VanDerWaalsContact O-CB 3.22Å; W1462-K1465 WeakPolarHBondContact O-CB 3.11Å; W1462-K1465 PolarHBondContact O-N 3.2Å; W1462-F1466 HydrophobicContact CE3-CB 4.24Å; W1462-F1466 HydrophobicContact CH2-CB 3.81Å; W1462-F1466 AromaticContact CH2-CD2 3.83Å; W1462-F1466 HydrophobicContact CH2-CD2 3.83Å; W1462-F1466 AromaticContact CH2-CG 3.89Å; W1462-F1466 HydrophobicContact CH2-CG 3.89Å; W1462-F1466 HydrophobicContact CZ2-CB 4.25Å; W1462-F1466 HydrophobicContact CZ2-CD2 4.37Å; W1462-F1466 HydrophobicContact CZ3-CB 3.82Å; W1462-F1466 HydrophobicContact CZ3-CD2 4.49Å; W1462-F1466 HydrophobicContact CZ3-CG 4.1Å; W1462-F1466 PolarHBondContact O-N 2.74Å; W1462-I1487 HydrophobicContact CZ2-CD1 4.32Å; W1462-I1570 HydrophobicContact CH2-CD1 3.79Å; W1462-I1570 HydrophobicContact CH2-CG1 3.81Å; W1462-I1570 HydrophobicContact CH2-CG2 4.16Å; W1462-I1570 HydrophobicContact CZ2-CD1 4.41Å; W1462-I1570 HydrophobicContact CZ3-CG2 4.26Å; W1462-V1757 HydrophobicContact CZ2-CG2 4.46Å; W1462-W1778 AromaticContact CE2-CH2 3.67Å; W1462-W1778 AromaticContact CH2-CH2 3.99Å; W1462-W1778 HydrophobicContact CH2-CH2 3.99Å; W1462-W1778 AromaticContact CH2-CZ3 3.76Å; W1462-W1778 HydrophobicContact CH2-CZ3 3.76Å; W1462-W1778 HydrophobicContact CZ2-CE3 4.5Å; W1462-W1778 AromaticContact CZ2-CH2 3.31Å; W1462-W1778 HydrophobicContact CZ2-CH2 3.31Å; W1462-W1778 HydrophobicContact CZ2-CZ2 4.44Å; W1462-W1778 AromaticContact CZ2-CZ3 3.35Å; W1462-W1778 HydrophobicContact CZ2-CZ3 3.35Å; W1462-W1778 AromaticContact NE1-CH2 3.95Å; W1462-F1793 AromaticContact CD1-CD2 3.65Å; W1462-F1793 AromaticContact CD1-CE2 3.94Å; W1462-F1793 AromaticContact CD1-CG 3.66Å; W1462-F1793 HydrophobicContact CG-CB 4.48Å; W1462-F1793 AromaticContact NE1-CD2 3.68Å; W1462-F1793 AromaticContact NE1-CE2 3.9Å; W1462-D1794 WeakPolarHBondContact CB-O 3.48Å; W1462-I1795 HydrophobicContact CB-CG2 4.31Å; W1462-I1795 HydrophobicContact CD2-CB 4.36Å; W1462-I1795 HydrophobicContact CD2-CG2 3.45Å; W1462-I1795 VanDerWaalsContact CD2-CG2 3.45Å; W1462-I1795 HydrophobicContact CE3-CB 3.99Å; W1462-I1795 HydrophobicContact CE3-CG2 3.57Å; W1462-I1795 HydrophobicContact CG-CG2 3.78Å; W1462-I1795 HydrophobicContact CZ2-CG2 4.44Å; W1462-I1795 HydrophobicContact CZ3-CB 4.36Å; W1462-I1795 HydrophobicContact CZ3-CG2 4.12Å |
| 1463 | W | 87.7 | Confident | 75.8 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -33.9 | 176.1 | -73 | 100.6 | 0 | 0 | 0 | 112.4 | D1461 K1465 F1466 Y1467 I1570 I1795 S1796 | D1461-W1463 PolarHBondContact OD1-N 2.9Å; W1463-K1465 VanDerWaalsContact C-N 3.25Å; W1463-K1465 PolarHBondContact O-N 3.15Å; W1463-F1466 AromaticContact CE3-CD1 3.98Å; W1463-F1466 HydrophobicContact CE3-CD1 3.98Å; W1463-F1466 AromaticContact CZ3-CD1 3.99Å; W1463-F1466 HydrophobicContact CZ3-CD1 3.99Å; W1463-F1466 HydrophobicContact CZ3-CE1 4.26Å; W1463-F1466 PolarHBondContact O-N 2.76Å; W1463-Y1467 HydrophobicContact CB-CD2 4.2Å; W1463-Y1467 HydrophobicContact CB-CE2 4.01Å; W1463-Y1467 AromaticContact CE3-CE2 3.93Å; W1463-Y1467 HydrophobicContact CE3-CE2 3.93Å; W1463-Y1467 AromaticContact CE3-CZ 3.88Å; W1463-Y1467 WeakPolarHBondContact O-CB 3.13Å; W1463-Y1467 WeakPolarHBondContact O-CD2 3.22Å; W1463-Y1467 PolarHBondContact O-N 2.85Å; W1463-I1570 HydrophobicContact CH2-CG2 3.67Å; W1463-I1570 HydrophobicContact CZ3-CG2 3.97Å; W1463-I1795 PolarHBondContact NE1-O 2.83Å; W1463-I1795 VanDerWaalsContact NE1-O 3.14Å; W1463-S1796 PolarHBondContact NE1-O 2.82Å; W1463-S1796 VanDerWaalsContact NE1-O 3.1Å |
| 1464 | S | 87.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 173.5 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | D1461 W1462 A1468 C1476 R1798 | D1461-S1464 PolarHBondContact N-OG 2.85Å; D1461-S1464 WeakPolarHBondContact O-CB 3.49Å; D1461-S1464 PolarHBondContact O-N 3.27Å; D1461-S1464 WeakPolarHBondContact OD1-CB 3.48Å; D1461-S1464 PolarHBondContact OD1-N 2.74Å; D1461-S1464 PolarHBondContact OD1-OG 2.92Å; W1462-S1464 PolarHBondContact O-N 3.38Å; S1464-A1468 VanDerWaalsContact O-CB 3.28Å; S1464-A1468 WeakPolarHBondContact O-CB 3.44Å; S1464-A1468 PolarHBondContact O-N 3.08Å; S1464-A1468 VanDerWaalsContact O-N 3.09Å; S1464-C1476 WeakPolarHBondContact O-CB 3.43Å; S1464-R1798 PolarHBondContact OG-NH2 2.77Å |
| 1465 | K | 90.2 | Very high | 77.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -47 | 175.6 | -175.7 | 177.9 | -169.4 | -177.3 | 0 | 111.8 | W1462 W1463 A1468 S1469 Y1479 I1487 N1675 E1755 | W1462-K1465 WeakPolarHBondContact O-CA 3.29Å; W1462-K1465 VanDerWaalsContact O-CB 3.22Å; W1462-K1465 WeakPolarHBondContact O-CB 3.11Å; W1462-K1465 PolarHBondContact O-N 3.2Å; W1463-K1465 VanDerWaalsContact C-N 3.25Å; W1463-K1465 PolarHBondContact O-N 3.15Å; K1465-A1468 PolarHBondContact O-N 2.81Å; K1465-S1469 WeakPolarHBondContact O-CB 2.77Å; K1465-S1469 PolarHBondContact O-N 2.87Å; K1465-S1469 VanDerWaalsContact O-N 3.07Å; K1465-S1469 PolarHBondContact O-OG 3.08Å; K1465-Y1479 HydrophobicContact CB-CE1 4.17Å; K1465-Y1479 HydrophobicContact CB-CE2 3.77Å; K1465-Y1479 WeakPolarHBondContact CD-OH 3.44Å; K1465-Y1479 HydrophobicContact CG-CE1 4.23Å; K1465-Y1479 HydrophobicContact CG-CE2 4.44Å; K1465-Y1479 VanDerWaalsContact CG-OH 3.29Å; K1465-Y1479 WeakPolarHBondContact CG-OH 3.36Å; K1465-I1487 HydrophobicContact CD-CD1 3.66Å; K1465-I1487 HydrophobicContact CD-CG1 3.85Å; K1465-I1487 HydrophobicContact CG-CD1 3.79Å; K1465-I1487 HydrophobicContact CG-CG1 3.88Å; K1465-N1675 VanDerWaalsContact CD-OD1 3.23Å; K1465-N1675 WeakPolarHBondContact CD-OD1 3.41Å; K1465-N1675 WeakPolarHBondContact CE-OD1 3.48Å; K1465-N1675 PolarHBondContact NZ-OD1 3.3Å; K1465-E1755 IonicContact NZ-OE1 3.37Å; K1465-E1755 PolarHBondContact NZ-OE1 2.87Å; K1465-E1755 IonicContact NZ-OE2 3.91Å; K1465-E1755 PolarHBondContact NZ-OE2 3.22Å |
| 1466 | F | 90.4 | Very high | 79 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -50.7 | 178.9 | 178.6 | -108.6 | 0 | 0 | 0 | 111.7 | W1462 W1463 A1468 S1469 I1470 I1570 V1757 | W1462-F1466 HydrophobicContact CE3-CB 4.24Å; W1462-F1466 HydrophobicContact CH2-CB 3.81Å; W1462-F1466 AromaticContact CH2-CD2 3.83Å; W1462-F1466 HydrophobicContact CH2-CD2 3.83Å; W1462-F1466 AromaticContact CH2-CG 3.89Å; W1462-F1466 HydrophobicContact CH2-CG 3.89Å; W1462-F1466 HydrophobicContact CZ2-CB 4.25Å; W1462-F1466 HydrophobicContact CZ2-CD2 4.37Å; W1462-F1466 HydrophobicContact CZ3-CB 3.82Å; W1462-F1466 HydrophobicContact CZ3-CD2 4.49Å; W1462-F1466 HydrophobicContact CZ3-CG 4.1Å; W1462-F1466 PolarHBondContact O-N 2.74Å; W1463-F1466 AromaticContact CE3-CD1 3.98Å; W1463-F1466 HydrophobicContact CE3-CD1 3.98Å; W1463-F1466 AromaticContact CZ3-CD1 3.99Å; W1463-F1466 HydrophobicContact CZ3-CD1 3.99Å; W1463-F1466 HydrophobicContact CZ3-CE1 4.26Å; W1463-F1466 PolarHBondContact O-N 2.76Å; F1466-A1468 PolarHBondContact O-N 2.81Å; F1466-S1469 WeakPolarHBondContact O-CA 3.32Å; F1466-S1469 WeakPolarHBondContact O-CB 3.26Å; F1466-S1469 PolarHBondContact O-N 2.95Å; F1466-I1470 HydrophobicContact CD1-CD1 4.36Å; F1466-I1470 HydrophobicContact CE1-CD1 3.83Å; F1466-I1470 HydrophobicContact CE2-CG2 4.28Å; F1466-I1470 HydrophobicContact CZ-CD1 4.19Å; F1466-I1470 HydrophobicContact CZ-CG2 4.31Å; F1466-I1470 PolarHBondContact O-N 3.36Å; F1466-I1470 VanDerWaalsContact O-N 3.12Å; F1466-I1570 HydrophobicContact CE1-CG2 4.47Å; F1466-I1570 HydrophobicContact CE2-CD1 4.16Å; F1466-I1570 HydrophobicContact CZ-CG2 4.36Å; F1466-V1757 HydrophobicContact CD2-CG2 4.22Å; F1466-V1757 HydrophobicContact CE2-CG1 4.39Å; F1466-V1757 HydrophobicContact CE2-CG2 4.21Å |
| 1467 | Y | 87.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 178.9 | -69.4 | -52.3 | 0 | 0 | 0 | 112.9 | W1463 S1469 I1470 G1471 E1472 K1475 E1872 | W1463-Y1467 HydrophobicContact CB-CD2 4.2Å; W1463-Y1467 HydrophobicContact CB-CE2 4.01Å; W1463-Y1467 AromaticContact CE3-CE2 3.93Å; W1463-Y1467 HydrophobicContact CE3-CE2 3.93Å; W1463-Y1467 AromaticContact CE3-CZ 3.88Å; W1463-Y1467 WeakPolarHBondContact O-CB 3.13Å; W1463-Y1467 WeakPolarHBondContact O-CD2 3.22Å; W1463-Y1467 PolarHBondContact O-N 2.85Å; Y1467-S1469 PolarHBondContact O-N 2.88Å; Y1467-I1470 HydrophobicContact CD1-CD1 4.12Å; Y1467-I1470 PolarHBondContact O-N 2.63Å; Y1467-G1471 PolarHBondContact O-N 2.84Å; Y1467-G1471 VanDerWaalsContact O-N 3.09Å; Y1467-E1472 HydrophobicContact CD1-CB 3.93Å; Y1467-E1472 HydrophobicContact CD1-CG 4.46Å; Y1467-E1472 HydrophobicContact CG-CB 4.38Å; Y1467-E1472 PolarHBondContact O-N 3.02Å; Y1467-K1475 HydrophobicContact CD1-CB 4.11Å; Y1467-K1475 HydrophobicContact CD1-CD 3.97Å; Y1467-K1475 HydrophobicContact CD2-CB 3.47Å; Y1467-K1475 VanDerWaalsContact CD2-CB 3.47Å; Y1467-K1475 HydrophobicContact CD2-CD 4.33Å; Y1467-K1475 HydrophobicContact CE1-CB 4.46Å; Y1467-K1475 HydrophobicContact CE1-CD 3.68Å; Y1467-K1475 HydrophobicContact CE2-CB 3.87Å; Y1467-K1475 HydrophobicContact CE2-CD 4.04Å; Y1467-K1475 HydrophobicContact CG-CB 3.61Å; Y1467-K1475 HydrophobicContact CG-CD 4.3Å; Y1467-E1872 PolarHBondContact OH-OE1 2.97Å |
| 1468 | A | 85.5 | Confident | 81 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -29.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1464 K1465 F1466 W1473 C1476 Y1479 | S1464-A1468 VanDerWaalsContact O-CB 3.28Å; S1464-A1468 WeakPolarHBondContact O-CB 3.44Å; S1464-A1468 PolarHBondContact O-N 3.08Å; S1464-A1468 VanDerWaalsContact O-N 3.09Å; K1465-A1468 PolarHBondContact O-N 2.81Å; F1466-A1468 PolarHBondContact O-N 2.81Å; A1468-W1473 HydrophobicContact CB-CZ3 4.4Å; A1468-W1473 VanDerWaalsContact O-CZ3 3.25Å; A1468-W1473 WeakPolarHBondContact O-CZ3 3.45Å; A1468-C1476 HydrophobicContact CB-CB 3.91Å; A1468-Y1479 HydrophobicContact CB-CD1 3.96Å |
| 1469 | S | 88.7 | Confident | 81.9 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -80.8 | -30.5 | -178.2 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | K1465 F1466 Y1467 I1487 | K1465-S1469 WeakPolarHBondContact O-CB 2.77Å; K1465-S1469 PolarHBondContact O-N 2.87Å; K1465-S1469 VanDerWaalsContact O-N 3.07Å; K1465-S1469 PolarHBondContact O-OG 3.08Å; F1466-S1469 WeakPolarHBondContact O-CA 3.32Å; F1466-S1469 WeakPolarHBondContact O-CB 3.26Å; F1466-S1469 PolarHBondContact O-N 2.95Å; Y1467-S1469 PolarHBondContact O-N 2.88Å; S1469-I1487 WeakPolarHBondContact CB-O 3.48Å; S1469-I1487 PolarHBondContact OG-N 2.83Å |
| 1470 | I | 84.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 33 Ų | 33 | 19% | 0.185 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -95 | 0.8 | 175.6 | 63.9 | 171.4 | 0 | 0 | 0 | 113.7 | F1466 Y1467 E1472 V1489 | F1466-I1470 HydrophobicContact CD1-CD1 4.36Å; F1466-I1470 HydrophobicContact CE1-CD1 3.83Å; F1466-I1470 HydrophobicContact CE2-CG2 4.28Å; F1466-I1470 HydrophobicContact CZ-CD1 4.19Å; F1466-I1470 HydrophobicContact CZ-CG2 4.31Å; F1466-I1470 PolarHBondContact O-N 3.36Å; F1466-I1470 VanDerWaalsContact O-N 3.12Å; Y1467-I1470 HydrophobicContact CD1-CD1 4.12Å; Y1467-I1470 PolarHBondContact O-N 2.63Å; I1470-E1472 HydrophobicContact CD1-CG 4.01Å; I1470-E1472 WeakPolarHBondContact CD1-OE1 3.24Å; I1470-E1472 HydrophobicContact CG1-CB 4.37Å; I1470-E1472 HydrophobicContact CG1-CG 4.08Å; I1470-V1489 HydrophobicContact CG2-CB 4.19Å; I1470-V1489 HydrophobicContact CG2-CG1 4.09Å; I1470-V1489 HydrophobicContact CG2-CG2 3.81Å |
| 1471 | G | 78.1 | Confident | 81.8 | Confident | 21 Ų | 21 | 38.5 Ų | 38.5 | 22% | 0.216 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 14.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y1467 W1473 | Y1467-G1471 PolarHBondContact O-N 2.84Å; Y1467-G1471 VanDerWaalsContact O-N 3.09Å; G1471-W1473 VanDerWaalsContact C-N 3.34Å; G1471-W1473 PolarHBondContact O-N 2.78Å; G1471-W1473 VanDerWaalsContact O-N 3.11Å; G1471-W1473 PolarHBondContact O-NE1 2.69Å |
| 1472 | E | 79.9 | Confident | 81.4 | Confident | 52 Ų | 52 | 37.8 Ų | 37.8 | 24% | 0.243 | 18% | 0.182 | C | C | . | . | trans | -84.9 | 72.8 | 175.4 | -70.1 | -169.2 | -149.8 | 0 | 0 | 110.9 | Y1467 I1470 D1474 K1475 | Y1467-E1472 HydrophobicContact CD1-CB 3.93Å; Y1467-E1472 HydrophobicContact CD1-CG 4.46Å; Y1467-E1472 HydrophobicContact CG-CB 4.38Å; Y1467-E1472 PolarHBondContact O-N 3.02Å; I1470-E1472 HydrophobicContact CD1-CG 4.01Å; I1470-E1472 WeakPolarHBondContact CD1-OE1 3.24Å; I1470-E1472 HydrophobicContact CG1-CB 4.37Å; I1470-E1472 HydrophobicContact CG1-CG 4.08Å; E1472-D1474 VanDerWaalsContact C-N 3.29Å; E1472-D1474 PolarHBondContact O-N 2.72Å; E1472-K1475 PolarHBondContact O-N 2.89Å; E1472-K1475 VanDerWaalsContact O-N 3.14Å; E1472-K1475 VanDerWaalsContact OE2-CD 3.23Å; E1472-K1475 WeakPolarHBondContact OE2-CD 3.42Å; E1472-K1475 WeakPolarHBondContact OE2-CE 3.43Å; E1472-K1475 IonicContact OE2-NZ 3.54Å; E1472-K1475 PolarHBondContact OE2-NZ 3.33Å | ||
| 1473 | W | 73.4 | Confident | 80.8 | Confident | 86 Ų | 86 | 39 Ų | 39 | 33% | 0.326 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -61.8 | -32.1 | -170.7 | -51.7 | 118.8 | 0 | 0 | 0 | 114.6 | P1432 V1434 A1468 G1471 K1475 C1476 K1480 | P1432-W1473 HydrophobicContact CB-CZ2 3.87Å; P1432-W1473 VanDerWaalsContact CD-CZ2 3.5Å; P1432-W1473 HydrophobicContact CG-CH2 4.3Å; P1432-W1473 HydrophobicContact CG-CZ2 3.44Å; P1432-W1473 VanDerWaalsContact CG-CZ2 3.44Å; V1434-W1473 HydrophobicContact CG2-CZ2 4.49Å; A1468-W1473 HydrophobicContact CB-CZ3 4.4Å; A1468-W1473 VanDerWaalsContact O-CZ3 3.25Å; A1468-W1473 WeakPolarHBondContact O-CZ3 3.45Å; G1471-W1473 VanDerWaalsContact C-N 3.34Å; G1471-W1473 PolarHBondContact O-N 2.78Å; G1471-W1473 VanDerWaalsContact O-N 3.11Å; G1471-W1473 PolarHBondContact O-NE1 2.69Å; W1473-K1475 PolarHBondContact O-N 2.86Å; W1473-C1476 PolarHBondContact O-N 3.04Å; W1473-C1476 PolarHBondContact O-SG 2.97Å; W1473-K1480 HydrophobicContact CE3-CD 3.9Å; W1473-K1480 HydrophobicContact CH2-CD 3.94Å; W1473-K1480 VanDerWaalsContact CZ2-NZ 3.27Å; W1473-K1480 HydrophobicContact CZ3-CD 3.48Å; W1473-K1480 VanDerWaalsContact CZ3-CD 3.48Å |
| 1474 | D | 69.5 | Low | 80.7 | Confident | 114 Ų | 114 | 39.6 Ų | 39.6 | 61% | 0.61 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -67.1 | -19.9 | 179.4 | 56.8 | -52.7 | 0 | 0 | 0 | 113.1 | E1472 | E1472-D1474 VanDerWaalsContact C-N 3.29Å; E1472-D1474 PolarHBondContact O-N 2.72Å |
| 1475 | K | 76.5 | Confident | 80.5 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 17% | 0.174 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -104.3 | -6.9 | -179.6 | -57.9 | -174 | -170.6 | 165.6 | 0 | 114.4 | Y1467 E1472 W1473 R1798 A1871 E1872 | Y1467-K1475 HydrophobicContact CD1-CB 4.11Å; Y1467-K1475 HydrophobicContact CD1-CD 3.97Å; Y1467-K1475 HydrophobicContact CD2-CB 3.47Å; Y1467-K1475 VanDerWaalsContact CD2-CB 3.47Å; Y1467-K1475 HydrophobicContact CD2-CD 4.33Å; Y1467-K1475 HydrophobicContact CE1-CB 4.46Å; Y1467-K1475 HydrophobicContact CE1-CD 3.68Å; Y1467-K1475 HydrophobicContact CE2-CB 3.87Å; Y1467-K1475 HydrophobicContact CE2-CD 4.04Å; Y1467-K1475 HydrophobicContact CG-CB 3.61Å; Y1467-K1475 HydrophobicContact CG-CD 4.3Å; E1472-K1475 PolarHBondContact O-N 2.89Å; E1472-K1475 VanDerWaalsContact O-N 3.14Å; E1472-K1475 VanDerWaalsContact OE2-CD 3.23Å; E1472-K1475 WeakPolarHBondContact OE2-CD 3.42Å; E1472-K1475 WeakPolarHBondContact OE2-CE 3.43Å; E1472-K1475 IonicContact OE2-NZ 3.54Å; E1472-K1475 PolarHBondContact OE2-NZ 3.33Å; W1473-K1475 PolarHBondContact O-N 2.86Å; K1475-R1798 PolarHBondContact O-NH1 2.93Å; K1475-R1798 PolarHBondContact O-NH2 2.83Å; K1475-A1871 WeakPolarHBondContact CA-O 3.36Å; K1475-E1872 HydrophobicContact CB-CG 4.38Å; K1475-E1872 HydrophobicContact CD-CG 4.17Å; K1475-E1872 HydrophobicContact CG-CB 4.43Å; K1475-E1872 HydrophobicContact CG-CG 4.16Å |
| 1476 | C | 77.1 | Confident | 80.4 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -91.2 | 5 | -174.1 | 80.6 | 0 | 0 | 0 | 0 | 114.9 | S1464 A1468 W1473 Y1479 | S1464-C1476 WeakPolarHBondContact O-CB 3.43Å; A1468-C1476 HydrophobicContact CB-CB 3.91Å; W1473-C1476 PolarHBondContact O-N 3.04Å; W1473-C1476 PolarHBondContact O-SG 2.97Å; C1476-Y1479 WeakPolarHBondContact O-CB 3.07Å; C1476-Y1479 PolarHBondContact O-N 3.03Å |
| 1477 | L | 80.3 | Confident | 80.4 | Confident | 46 Ų | 46 | 41.9 Ų | 41.9 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -141.9 | -175.1 | -61.8 | 174.8 | 0 | 0 | 0 | 111.3 | K1459 I1460 Y1479 A1871 | K1459-L1477 HydrophobicContact CB-CD1 3.96Å; K1459-L1477 WeakPolarHBondContact O-CD1 3.33Å; I1460-L1477 HydrophobicContact CG1-CD1 4.35Å; L1477-Y1479 VanDerWaalsContact C-N 3.28Å; L1477-Y1479 PolarHBondContact O-N 3.42Å; L1477-A1871 HydrophobicContact CD1-CB 4.07Å; L1477-A1871 HydrophobicContact CD2-CB 3.7Å; L1477-A1871 HydrophobicContact CG-CB 3.97Å |
| 1478 | K | 77.2 | Confident | 80.5 | Confident | 106 Ų | 106 | 42.6 Ų | 42.6 | 46% | 0.461 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 15.3 | 175.3 | -63.4 | -173.6 | 177 | 179.9 | 0 | 113.3 | K1480 E1481 F1482 | K1478-K1480 VanDerWaalsContact C-N 3.32Å; K1478-K1480 PolarHBondContact O-N 3Å; K1478-E1481 HydrophobicContact CB-CB 4.31Å; K1478-E1481 HydrophobicContact CB-CG 4.48Å; K1478-E1481 WeakPolarHBondContact O-CB 3.17Å; K1478-E1481 PolarHBondContact O-N 3.11Å; K1478-F1482 HydrophobicContact CB-CD2 4.36Å; K1478-F1482 HydrophobicContact CB-CE2 3.92Å; K1478-F1482 HydrophobicContact CB-CZ 4.17Å; K1478-F1482 WeakPolarHBondContact O-CD2 3.33Å; K1478-F1482 PolarHBondContact O-N 2.84Å; K1478-F1482 VanDerWaalsContact O-N 3.16Å |
| 1479 | Y | 82.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -47.8 | -174.6 | -170.8 | -83.7 | 0 | 0 | 0 | 112.4 | I1460 K1465 A1468 C1476 L1477 F1482 Y1484 D1485 P1674 N1675 | I1460-Y1479 HydrophobicContact CG2-CD2 3.55Å; I1460-Y1479 HydrophobicContact CG2-CE2 4.03Å; K1465-Y1479 HydrophobicContact CB-CE1 4.17Å; K1465-Y1479 HydrophobicContact CB-CE2 3.77Å; K1465-Y1479 WeakPolarHBondContact CD-OH 3.44Å; K1465-Y1479 HydrophobicContact CG-CE1 4.23Å; K1465-Y1479 HydrophobicContact CG-CE2 4.44Å; K1465-Y1479 VanDerWaalsContact CG-OH 3.29Å; K1465-Y1479 WeakPolarHBondContact CG-OH 3.36Å; A1468-Y1479 HydrophobicContact CB-CD1 3.96Å; C1476-Y1479 WeakPolarHBondContact O-CB 3.07Å; C1476-Y1479 PolarHBondContact O-N 3.03Å; L1477-Y1479 VanDerWaalsContact C-N 3.28Å; L1477-Y1479 PolarHBondContact O-N 3.42Å; Y1479-F1482 PolarHBondContact O-N 2.76Å; Y1479-Y1484 AromaticContact CD2-CD2 3.77Å; Y1479-Y1484 HydrophobicContact CD2-CD2 3.77Å; Y1479-Y1484 HydrophobicContact CE1-CD2 4.44Å; Y1479-Y1484 HydrophobicContact CE1-CG 4.39Å; Y1479-Y1484 AromaticContact CE2-CD2 3.68Å; Y1479-Y1484 HydrophobicContact CE2-CD2 3.68Å; Y1479-Y1484 HydrophobicContact CE2-CG 4.34Å; Y1479-Y1484 HydrophobicContact CG-CD2 4.18Å; Y1479-D1485 VanDerWaalsContact CE1-O 3.3Å; Y1479-D1485 WeakPolarHBondContact CE1-O 3.49Å; Y1479-D1485 PolarHBondContact OH-O 2.86Å; Y1479-P1674 HydrophobicContact CE2-CB 4.33Å; Y1479-P1674 HydrophobicContact CE2-CG 4.04Å; Y1479-N1675 VanDerWaalsContact OH-CG 3.27Å; Y1479-N1675 PolarHBondContact OH-ND2 2.75Å; Y1479-N1675 PolarHBondContact OH-OD1 2.78Å |
| 1480 | K | 72.4 | Confident | 80.7 | Confident | 93 Ų | 93 | 43 Ų | 43 | 40% | 0.404 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -32.7 | 178.5 | -161.2 | -177.3 | -166 | 176.9 | 0 | 112.9 | W1473 K1478 F1482 G1483 | W1473-K1480 HydrophobicContact CE3-CD 3.9Å; W1473-K1480 HydrophobicContact CH2-CD 3.94Å; W1473-K1480 VanDerWaalsContact CZ2-NZ 3.27Å; W1473-K1480 HydrophobicContact CZ3-CD 3.48Å; W1473-K1480 VanDerWaalsContact CZ3-CD 3.48Å; K1478-K1480 VanDerWaalsContact C-N 3.32Å; K1478-K1480 PolarHBondContact O-N 3Å; K1480-F1482 PolarHBondContact O-N 2.89Å; K1480-G1483 PolarHBondContact O-N 2.77Å |
| 1481 | E | 76 | Confident | 80.8 | Confident | 138 Ų | 138 | 45 Ų | 45 | 65% | 0.645 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.7 | 177 | -61.4 | -178.2 | -175.9 | 0 | 0 | 111.9 | K1478 G1483 | K1478-E1481 HydrophobicContact CB-CB 4.31Å; K1478-E1481 HydrophobicContact CB-CG 4.48Å; K1478-E1481 WeakPolarHBondContact O-CB 3.17Å; K1478-E1481 PolarHBondContact O-N 3.11Å; E1481-G1483 PolarHBondContact O-N 3.3Å |
| 1482 | F | 76.3 | Confident | 81.3 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -2.7 | 174.2 | -62 | -40.4 | 0 | 0 | 0 | 114.1 | M1451 I1460 K1478 Y1479 K1480 Y1484 | M1451-F1482 HydrophobicContact CE-CD1 4.02Å; M1451-F1482 HydrophobicContact CE-CE1 3.28Å; M1451-F1482 HydrophobicContact CE-CZ 3.76Å; M1451-F1482 HydrophobicContact SD-CD1 4.22Å; M1451-F1482 HydrophobicContact SD-CE1 3.82Å; I1460-F1482 HydrophobicContact CD1-CD2 3.44Å; I1460-F1482 VanDerWaalsContact CD1-CD2 3.44Å; I1460-F1482 HydrophobicContact CD1-CE2 3.43Å; I1460-F1482 VanDerWaalsContact CD1-CE2 3.43Å; K1478-F1482 HydrophobicContact CB-CD2 4.36Å; K1478-F1482 HydrophobicContact CB-CE2 3.92Å; K1478-F1482 HydrophobicContact CB-CZ 4.17Å; K1478-F1482 WeakPolarHBondContact O-CD2 3.33Å; K1478-F1482 PolarHBondContact O-N 2.84Å; K1478-F1482 VanDerWaalsContact O-N 3.16Å; Y1479-F1482 PolarHBondContact O-N 2.76Å; K1480-F1482 PolarHBondContact O-N 2.89Å; F1482-Y1484 VanDerWaalsContact C-N 3.34Å; F1482-Y1484 HydrophobicContact CB-CD1 3.91Å; F1482-Y1484 HydrophobicContact CB-CD2 4.3Å; F1482-Y1484 HydrophobicContact CB-CE1 3.69Å; F1482-Y1484 HydrophobicContact CB-CE2 4.12Å; F1482-Y1484 HydrophobicContact CB-CG 4.21Å; F1482-Y1484 HydrophobicContact CD2-CE2 4.18Å |
| 1483 | G | 74.2 | Confident | 81.9 | Confident | 35 Ų | 35 | 44.6 Ų | 44.6 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 34.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1480 E1481 | K1480-G1483 PolarHBondContact O-N 2.77Å; E1481-G1483 PolarHBondContact O-N 3.3Å |
| 1484 | Y | 85.8 | Confident | 82.8 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 154.7 | 177.1 | -67.6 | -9.9 | 0 | 0 | 0 | 112.4 | I1460 Y1479 F1482 P1674 N1732 H1734 | I1460-Y1484 HydrophobicContact CD1-CE2 4.27Å; I1460-Y1484 HydrophobicContact CG2-CE2 4.34Å; Y1479-Y1484 AromaticContact CD2-CD2 3.77Å; Y1479-Y1484 HydrophobicContact CD2-CD2 3.77Å; Y1479-Y1484 HydrophobicContact CE1-CD2 4.44Å; Y1479-Y1484 HydrophobicContact CE1-CG 4.39Å; Y1479-Y1484 AromaticContact CE2-CD2 3.68Å; Y1479-Y1484 HydrophobicContact CE2-CD2 3.68Å; Y1479-Y1484 HydrophobicContact CE2-CG 4.34Å; Y1479-Y1484 HydrophobicContact CG-CD2 4.18Å; F1482-Y1484 VanDerWaalsContact C-N 3.34Å; F1482-Y1484 HydrophobicContact CB-CD1 3.91Å; F1482-Y1484 HydrophobicContact CB-CD2 4.3Å; F1482-Y1484 HydrophobicContact CB-CE1 3.69Å; F1482-Y1484 HydrophobicContact CB-CE2 4.12Å; F1482-Y1484 HydrophobicContact CB-CG 4.21Å; F1482-Y1484 HydrophobicContact CD2-CE2 4.18Å; Y1484-P1674 HydrophobicContact CD2-CG 4.28Å; Y1484-P1674 HydrophobicContact CE2-CG 4.24Å; Y1484-N1732 WeakPolarHBondContact CD1-ND2 3.13Å; Y1484-N1732 HydrophobicContact CE1-CB 4.38Å; Y1484-H1734 AromaticContact CZ-CD2 3.93Å; Y1484-H1734 PolarHBondContact OH-CD2 2.87Å; Y1484-H1734 PolarHBondContact OH-NE2 2.81Å |
| 1485 | D | 84.6 | Confident | 83.8 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 147.5 | -173.1 | -55.3 | -17.2 | 0 | 0 | 0 | 114.2 | Y1479 Q1667 S1668 | Y1479-D1485 VanDerWaalsContact CE1-O 3.3Å; Y1479-D1485 WeakPolarHBondContact CE1-O 3.49Å; Y1479-D1485 PolarHBondContact OH-O 2.86Å; D1485-Q1667 HydrophobicContact CB-CB 3.99Å; D1485-Q1667 HydrophobicContact CB-CG 4.19Å; D1485-S1668 WeakPolarHBondContact OD1-CB 3.15Å; D1485-S1668 PolarHBondContact OD1-OG 3Å; D1485-S1668 WeakPolarHBondContact OD2-CA 3.27Å; D1485-S1668 WeakPolarHBondContact OD2-CB 3.49Å; D1485-S1668 PolarHBondContact OD2-N 3.44Å; D1485-S1668 PolarHBondContact OD2-OG 3.15Å |
| 1486 | T | 87.6 | Confident | 84.4 | Confident | 32 Ų | 32 | 40 Ų | 40 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -100.7 | 162.6 | 171.1 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | Q1667 | T1486-Q1667 PolarHBondContact O-NE2 3.3Å; T1486-Q1667 PolarHBondContact OG1-NE2 3.35Å |
| 1487 | I | 89.7 | Confident | 84.8 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.046 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -103.8 | 147.1 | 179.1 | -58.6 | 175.1 | 0 | 0 | 0 | 109.6 | W1462 K1465 S1469 V1489 E1755 H1756 V1757 | W1462-I1487 HydrophobicContact CZ2-CD1 4.32Å; K1465-I1487 HydrophobicContact CD-CD1 3.66Å; K1465-I1487 HydrophobicContact CD-CG1 3.85Å; K1465-I1487 HydrophobicContact CG-CD1 3.79Å; K1465-I1487 HydrophobicContact CG-CG1 3.88Å; S1469-I1487 WeakPolarHBondContact CB-O 3.48Å; S1469-I1487 PolarHBondContact OG-N 2.83Å; I1487-V1489 PolarHBondContact O-N 3.21Å; I1487-E1755 HydrophobicContact CG1-CG 4.17Å; I1487-E1755 HydrophobicContact CG2-CG 4.25Å; I1487-E1755 WeakPolarHBondContact CG2-O 3.33Å; I1487-H1756 VanDerWaalsContact CG2-C 3.41Å; I1487-V1757 HydrophobicContact CG2-CG2 4.22Å |
| 1488 | C | 89.4 | Confident | 84.6 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 11% | 0.108 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 114 | 171.6 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | Y1490 E1755 H1756 V1757 | C1488-Y1490 HydrophobicContact CB-CE2 4.17Å; C1488-E1755 WeakPolarHBondContact CB-O 3.33Å; C1488-E1755 PolarHBondContact N-O 3.01Å; C1488-H1756 HydrophobicContact CB-CB 4.25Å; C1488-H1756 CarbonylContact O-C 3.56Å; C1488-H1756 WeakPolarHBondContact O-CA 3.47Å; C1488-H1756 VanDerWaalsContact O-CB 3.25Å; C1488-H1756 WeakPolarHBondContact O-CB 3.31Å; C1488-V1757 PolarHBondContact O-N 3.09Å |
| 1489 | V | 90.1 | Very high | 84.5 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 107.1 | 178.5 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | L1429 I1470 I1487 V1757 | L1429-V1489 HydrophobicContact CD1-CB 4.38Å; L1429-V1489 HydrophobicContact CD1-CG1 4.01Å; I1470-V1489 HydrophobicContact CG2-CB 4.19Å; I1470-V1489 HydrophobicContact CG2-CG1 4.09Å; I1470-V1489 HydrophobicContact CG2-CG2 3.81Å; I1487-V1489 PolarHBondContact O-N 3.21Å; V1489-V1757 WeakPolarHBondContact CA-O 3.44Å; V1489-V1757 HydrophobicContact CG1-CB 4.26Å; V1489-V1757 HydrophobicContact CG1-CG1 4.38Å; V1489-V1757 HydrophobicContact CG2-CB 4.28Å |
| 1490 | Y | 90.3 | Very high | 84.6 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | trans | -86.8 | 139 | 178.4 | -58 | -71.5 | 0 | 0 | 0 | 110.9 | C1488 H1492 L1494 V1497 H1756 V1757 T1759 | C1488-Y1490 HydrophobicContact CB-CE2 4.17Å; Y1490-H1492 VanDerWaalsContact C-N 3.27Å; Y1490-L1494 HydrophobicContact CD2-CD1 3.75Å; Y1490-L1494 HydrophobicContact CE2-CD1 3.47Å; Y1490-L1494 VanDerWaalsContact CE2-CD1 3.47Å; Y1490-V1497 HydrophobicContact CD1-CG2 3.71Å; Y1490-V1497 HydrophobicContact CD2-CG2 4.37Å; Y1490-V1497 HydrophobicContact CE1-CG1 4.08Å; Y1490-V1497 HydrophobicContact CE1-CG2 3.75Å; Y1490-V1497 HydrophobicContact CE2-CG2 4.38Å; Y1490-V1497 HydrophobicContact CG-CG2 4.05Å; Y1490-H1756 HydrophobicContact CD2-CB 3.91Å; Y1490-H1756 HydrophobicContact CE2-CB 3.53Å; Y1490-V1757 PolarHBondContact N-O 3.02Å; Y1490-T1759 WeakPolarHBondContact O-CB 3.46Å; Y1490-T1759 PolarHBondContact O-N 3.06Å; Y1490-T1759 PolarHBondContact O-OG1 2.91Å | ||
| 1491 | S | 85.4 | Confident | 84.9 | Confident | 80 Ų | 80 | 42 Ų | 42 | 56% | 0.559 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -83.9 | -0.5 | 177.6 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1492 | H | 88.8 | Confident | 85.4 | Confident | 45 Ų | 45 | 36.8 Ų | 36.8 | 21% | 0.208 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -140.3 | 172 | -178 | 53.2 | 77.5 | 0 | 0 | 0 | 110.6 | E1426 Y1490 V1497 T1759 | E1426-H1492 IonicContact OE2-NE2 2.79Å; Y1490-H1492 VanDerWaalsContact C-N 3.27Å; H1492-V1497 VanDerWaalsContact CE1-CG2 3.48Å; H1492-V1497 WeakPolarHBondContact CE1-CG2 3.35Å; H1492-T1759 CarbonylContact C-O 3.5Å; H1492-T1759 WeakPolarHBondContact CA-O 3.49Å; H1492-T1759 PolarHBondContact O-N 2.79Å |
| 1493 | P | 92.8 | Very high | 86.1 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | trans | -49.6 | 144.8 | 170 | -33.5 | 40.9 | 0 | 0 | 0 | 113.3 | E1495 D1496 T1759 R1760 | P1493-E1495 VanDerWaalsContact C-N 3.29Å; P1493-E1495 HydrophobicContact CB-CG 4.15Å; P1493-E1495 PolarHBondContact O-N 3.36Å; P1493-D1496 PolarHBondContact O-N 2.88Å; P1493-D1496 VanDerWaalsContact O-N 3.14Å; P1493-T1759 WeakPolarHBondContact CD-O 3.33Å; P1493-R1760 HydrophobicContact CG-CG 4.48Å | ||
| 1494 | L | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -62.9 | -35.6 | -178.1 | -172.5 | 73 | 0 | 0 | 0 | 112.8 | Y1490 D1496 V1497 F1500 F1503 A1661 V1753 E1758 | Y1490-L1494 HydrophobicContact CD2-CD1 3.75Å; Y1490-L1494 HydrophobicContact CE2-CD1 3.47Å; Y1490-L1494 VanDerWaalsContact CE2-CD1 3.47Å; L1494-D1496 PolarHBondContact O-N 3.17Å; L1494-V1497 HydrophobicContact CD1-CG2 4.38Å; L1494-V1497 VanDerWaalsContact O-CG2 3.27Å; L1494-V1497 WeakPolarHBondContact O-CG2 3.34Å; L1494-V1497 PolarHBondContact O-N 3.24Å; L1494-F1500 HydrophobicContact CD1-CE2 4.27Å; L1494-F1503 HydrophobicContact CB-CE2 4.27Å; L1494-F1503 HydrophobicContact CD2-CE2 3.92Å; L1494-F1503 HydrophobicContact CD2-CZ 3.76Å; L1494-F1503 HydrophobicContact CG-CE2 3.95Å; L1494-F1503 HydrophobicContact CG-CZ 3.74Å; L1494-A1661 HydrophobicContact CD2-CB 4.17Å; L1494-V1753 HydrophobicContact CD1-CG1 4.29Å; L1494-V1753 HydrophobicContact CD2-CG1 4.03Å; L1494-V1753 HydrophobicContact CD2-CG2 4.33Å; L1494-E1758 HydrophobicContact CB-CB 4.32Å; L1494-E1758 VanDerWaalsContact CB-OE2 3.23Å; L1494-E1758 WeakPolarHBondContact CB-OE2 3.34Å; L1494-E1758 PolarHBondContact N-OE2 2.76Å |
| 1495 | E | 90.7 | Very high | 86.7 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -64.6 | -21.2 | 177.3 | 54.6 | -92.1 | -153.5 | 0 | 0 | 113.9 | P1493 G1502 F1503 R1654 R1760 | P1493-E1495 VanDerWaalsContact C-N 3.29Å; P1493-E1495 HydrophobicContact CB-CG 4.15Å; P1493-E1495 PolarHBondContact O-N 3.36Å; E1495-G1502 WeakPolarHBondContact O-CA 3.14Å; E1495-G1502 PolarHBondContact O-N 2.64Å; E1495-G1502 VanDerWaalsContact O-N 3.12Å; E1495-F1503 HydrophobicContact CB-CD2 3.66Å; E1495-F1503 HydrophobicContact CB-CE2 3.87Å; E1495-R1654 IonicContact OE2-CZ 3.32Å; E1495-R1654 IonicContact OE2-NE 3.64Å; E1495-R1654 IonicContact OE2-NH2 3.67Å; E1495-R1654 PolarHBondContact OE2-NH2 2.86Å; E1495-R1760 VanDerWaalsContact CD-NH1 3.33Å; E1495-R1760 IonicContact OE1-CZ 3.8Å; E1495-R1760 VanDerWaalsContact OE1-CZ 3.26Å; E1495-R1760 IonicContact OE1-NH1 3.27Å; E1495-R1760 PolarHBondContact OE1-NH1 3.32Å; E1495-R1760 IonicContact OE1-NH2 3.15Å; E1495-R1760 PolarHBondContact OE1-NH2 3.24Å; E1495-R1760 IonicContact OE2-NH1 2.77Å; E1495-R1760 PolarHBondContact OE2-NH1 3.08Å; E1495-R1760 VanDerWaalsContact OE2-NH1 3.14Å |
| 1496 | D | 89.4 | Confident | 86.9 | Confident | 106 Ų | 106 | 38.3 Ų | 38.3 | 57% | 0.567 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -89 | -4.2 | -178.7 | -64.1 | -23.1 | 0 | 0 | 0 | 113.2 | P1493 L1494 E1498 | P1493-D1496 PolarHBondContact O-N 2.88Å; P1493-D1496 VanDerWaalsContact O-N 3.14Å; L1494-D1496 PolarHBondContact O-N 3.17Å; D1496-E1498 PolarHBondContact O-N 2.76Å |
| 1497 | V | 85 | Confident | 86.9 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -63.1 | 129.4 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | Y1490 H1492 L1494 G1499 F1500 | Y1490-V1497 HydrophobicContact CD1-CG2 3.71Å; Y1490-V1497 HydrophobicContact CD2-CG2 4.37Å; Y1490-V1497 HydrophobicContact CE1-CG1 4.08Å; Y1490-V1497 HydrophobicContact CE1-CG2 3.75Å; Y1490-V1497 HydrophobicContact CE2-CG2 4.38Å; Y1490-V1497 HydrophobicContact CG-CG2 4.05Å; H1492-V1497 VanDerWaalsContact CE1-CG2 3.48Å; H1492-V1497 WeakPolarHBondContact CE1-CG2 3.35Å; L1494-V1497 HydrophobicContact CD1-CG2 4.38Å; L1494-V1497 VanDerWaalsContact O-CG2 3.27Å; L1494-V1497 WeakPolarHBondContact O-CG2 3.34Å; L1494-V1497 PolarHBondContact O-N 3.24Å; V1497-G1499 PolarHBondContact O-N 3.42Å; V1497-F1500 HydrophobicContact CB-CD2 3.59Å; V1497-F1500 HydrophobicContact CB-CE2 3.91Å; V1497-F1500 HydrophobicContact CB-CG 4.39Å; V1497-F1500 HydrophobicContact CG1-CD2 3.99Å; V1497-F1500 HydrophobicContact CG1-CE2 3.91Å; V1497-F1500 HydrophobicContact CG2-CD2 4.14Å; V1497-F1500 HydrophobicContact CG2-CE2 4.19Å; V1497-F1500 PolarHBondContact O-N 2.88Å |
| 1498 | E | 75.9 | Confident | 86.9 | Confident | 139 Ų | 139 | 38.3 Ų | 38.3 | 65% | 0.65 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 123 | 176.6 | -72.6 | -167.1 | 167 | 0 | 0 | 110.9 | D1496 | D1496-E1498 PolarHBondContact O-N 2.76Š|
| 1499 | G | 75.4 | Confident | 87 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 22% | 0.216 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | -19.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1497 Y1659 | V1497-G1499 PolarHBondContact O-N 3.42Å; G1499-Y1659 VanDerWaalsContact O-CZ 3.27Å; G1499-Y1659 PolarHBondContact O-OH 3.06Å |
| 1500 | F | 85.1 | Confident | 87.1 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.6 | 175.4 | -65 | -23.4 | 0 | 0 | 0 | 114.2 | L1494 V1497 G1502 F1503 Y1659 V1753 | L1494-F1500 HydrophobicContact CD1-CE2 4.27Å; V1497-F1500 HydrophobicContact CB-CD2 3.59Å; V1497-F1500 HydrophobicContact CB-CE2 3.91Å; V1497-F1500 HydrophobicContact CB-CG 4.39Å; V1497-F1500 HydrophobicContact CG1-CD2 3.99Å; V1497-F1500 HydrophobicContact CG1-CE2 3.91Å; V1497-F1500 HydrophobicContact CG2-CD2 4.14Å; V1497-F1500 HydrophobicContact CG2-CE2 4.19Å; V1497-F1500 PolarHBondContact O-N 2.88Å; F1500-G1502 VanDerWaalsContact C-N 3.27Å; F1500-G1502 PolarHBondContact O-N 2.74Å; F1500-F1503 HydrophobicContact CB-CD1 4.04Å; F1500-F1503 HydrophobicContact CB-CE1 3.55Å; F1500-F1503 HydrophobicContact CB-CZ 4.12Å; F1500-F1503 HydrophobicContact CD1-CE1 4.38Å; F1500-F1503 AromaticContact CD2-CE1 3.79Å; F1500-F1503 HydrophobicContact CD2-CE1 3.79Å; F1500-F1503 AromaticContact CD2-CZ 3.78Å; F1500-F1503 HydrophobicContact CD2-CZ 3.78Å; F1500-F1503 AromaticContact CG-CE1 3.66Å; F1500-F1503 HydrophobicContact CG-CE1 3.66Å; F1500-F1503 HydrophobicContact CG-CZ 4.12Å; F1500-F1503 PolarHBondContact O-N 2.9Å; F1500-Y1659 HydrophobicContact CB-CD2 4.2Å; F1500-Y1659 HydrophobicContact CB-CE2 4.48Å; F1500-Y1659 HydrophobicContact CD1-CD1 4.18Å; F1500-Y1659 HydrophobicContact CD1-CD2 4.09Å; F1500-Y1659 AromaticContact CD1-CG 3.83Å; F1500-Y1659 HydrophobicContact CD1-CG 3.83Å; F1500-Y1659 HydrophobicContact CE1-CG 4.47Å; F1500-Y1659 HydrophobicContact CG-CD2 4.49Å; F1500-Y1659 WeakPolarHBondContact O-CE2 3.39Å; F1500-V1753 HydrophobicContact CD2-CG2 4.34Å; F1500-V1753 HydrophobicContact CE1-CG2 4.27Å; F1500-V1753 HydrophobicContact CE2-CG2 3.82Å; F1500-V1753 HydrophobicContact CZ-CG2 3.79Å |
| 1501 | N | 79.2 | Confident | 87.1 | Confident | 107 Ų | 107 | 43 Ų | 43 | 57% | 0.572 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | 49.9 | 42.8 | 172.8 | -57.9 | -21.6 | 0 | 0 | 0 | 113.4 | F1503 T1504 | N1501-F1503 PolarHBondContact O-N 3.22Å; N1501-F1503 VanDerWaalsContact O-N 3.12Å; N1501-T1504 PolarHBondContact O-N 2.74Å; N1501-T1504 PolarHBondContact O-OG1 2.85Å |
| 1502 | G | 86 | Confident | 87.4 | Confident | 29 Ų | 29 | 39.3 Ų | 39.3 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | 67.8 | 10.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1495 F1500 T1504 | E1495-G1502 WeakPolarHBondContact O-CA 3.14Å; E1495-G1502 PolarHBondContact O-N 2.64Å; E1495-G1502 VanDerWaalsContact O-N 3.12Å; F1500-G1502 VanDerWaalsContact C-N 3.27Å; F1500-G1502 PolarHBondContact O-N 2.74Å; G1502-T1504 PolarHBondContact O-N 2.81Å |
| 1503 | F | 91 | Very high | 87.1 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | 57 | 30.5 | -170.4 | -56.2 | -48.8 | 0 | 0 | 0 | 114 | L1494 E1495 F1500 N1501 N1653 R1654 T1657 Y1659 A1661 V1753 | L1494-F1503 HydrophobicContact CB-CE2 4.27Å; L1494-F1503 HydrophobicContact CD2-CE2 3.92Å; L1494-F1503 HydrophobicContact CD2-CZ 3.76Å; L1494-F1503 HydrophobicContact CG-CE2 3.95Å; L1494-F1503 HydrophobicContact CG-CZ 3.74Å; E1495-F1503 HydrophobicContact CB-CD2 3.66Å; E1495-F1503 HydrophobicContact CB-CE2 3.87Å; F1500-F1503 HydrophobicContact CB-CD1 4.04Å; F1500-F1503 HydrophobicContact CB-CE1 3.55Å; F1500-F1503 HydrophobicContact CB-CZ 4.12Å; F1500-F1503 HydrophobicContact CD1-CE1 4.38Å; F1500-F1503 AromaticContact CD2-CE1 3.79Å; F1500-F1503 HydrophobicContact CD2-CE1 3.79Å; F1500-F1503 AromaticContact CD2-CZ 3.78Å; F1500-F1503 HydrophobicContact CD2-CZ 3.78Å; F1500-F1503 AromaticContact CG-CE1 3.66Å; F1500-F1503 HydrophobicContact CG-CE1 3.66Å; F1500-F1503 HydrophobicContact CG-CZ 4.12Å; F1500-F1503 PolarHBondContact O-N 2.9Å; N1501-F1503 PolarHBondContact O-N 3.22Å; N1501-F1503 VanDerWaalsContact O-N 3.12Å; F1503-N1653 HydrophobicContact CB-CB 4.11Å; F1503-R1654 HydrophobicContact CD2-CG 4.12Å; F1503-R1654 HydrophobicContact CE2-CG 4.33Å; F1503-T1657 HydrophobicContact CB-CG2 4.25Å; F1503-T1657 HydrophobicContact CD1-CG2 3.64Å; F1503-T1657 HydrophobicContact CE1-CG2 4.23Å; F1503-T1657 HydrophobicContact CG-CG2 4.07Å; F1503-Y1659 HydrophobicContact CD1-CD2 4.03Å; F1503-Y1659 HydrophobicContact CE1-CD2 4.31Å; F1503-A1661 HydrophobicContact CD1-CB 4.3Å; F1503-A1661 HydrophobicContact CD2-CB 4.39Å; F1503-A1661 HydrophobicContact CE1-CB 3.83Å; F1503-A1661 HydrophobicContact CE2-CB 3.93Å; F1503-A1661 HydrophobicContact CZ-CB 3.63Å; F1503-V1753 HydrophobicContact CE1-CG2 4.14Å; F1503-V1753 HydrophobicContact CZ-CG2 4.13Å |
| 1504 | T | 86.9 | Confident | 86.4 | Confident | 46 Ų | 46 | 39.6 Ų | 39.6 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | trans | -96.3 | 12.3 | 179.8 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | N1501 G1502 F1506 C1507 | N1501-T1504 PolarHBondContact O-N 2.74Å; N1501-T1504 PolarHBondContact O-OG1 2.85Å; G1502-T1504 PolarHBondContact O-N 2.81Å; T1504-F1506 VanDerWaalsContact C-N 3.35Å; T1504-F1506 PolarHBondContact O-N 2.84Å; T1504-C1507 CarbonylContact O-C 3.48Å | ||
| 1505 | D | 85.3 | Confident | 85 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -67.5 | -30.6 | -174.8 | 60.6 | -73.9 | 0 | 0 | 0 | 113.9 | T1657 K1658 Y1659 | D1505-T1657 WeakPolarHBondContact OD1-CA 3.36Å; D1505-T1657 VanDerWaalsContact OD1-CB 3.24Å; D1505-T1657 WeakPolarHBondContact OD1-CB 3.4Å; D1505-T1657 PolarHBondContact OD1-OG1 3.39Å; D1505-K1658 HydrophobicContact CB-CD 4.22Å; D1505-K1658 WeakPolarHBondContact OD2-CB 3.17Å; D1505-K1658 WeakPolarHBondContact OD2-CD 3.26Å; D1505-K1658 WeakPolarHBondContact OD2-CG 3.24Å; D1505-K1658 PolarHBondContact OD2-N 3.02Å; D1505-Y1659 HydrophobicContact CB-CE2 4.27Å |
| 1506 | F | 88.3 | Confident | 83.5 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -78 | -53.1 | 174.6 | 178.5 | -98.1 | 0 | 0 | 0 | 111.5 | L1308 W1310 T1504 T1532 L1554 L1656 | L1308-F1506 HydrophobicContact CD2-CD1 4.46Å; L1308-F1506 HydrophobicContact CD2-CE1 4.02Å; L1308-F1506 HydrophobicContact CD2-CE2 4.34Å; L1308-F1506 HydrophobicContact CD2-CZ 3.96Å; W1310-F1506 AromaticContact CD2-CE1 3.82Å; W1310-F1506 HydrophobicContact CD2-CE1 3.82Å; W1310-F1506 HydrophobicContact CD2-CZ 4.3Å; W1310-F1506 AromaticContact CE2-CE1 3.88Å; W1310-F1506 AromaticContact CE3-CE1 4Å; W1310-F1506 HydrophobicContact CE3-CE1 4Å; W1310-F1506 HydrophobicContact CE3-CZ 4.01Å; W1310-F1506 HydrophobicContact CG-CE1 4.3Å; W1310-F1506 HydrophobicContact CH2-CE1 4.26Å; W1310-F1506 AromaticContact CH2-CZ 3.99Å; W1310-F1506 HydrophobicContact CH2-CZ 3.99Å; W1310-F1506 HydrophobicContact CZ2-CE1 4.1Å; W1310-F1506 HydrophobicContact CZ2-CZ 4.28Å; W1310-F1506 HydrophobicContact CZ3-CE1 4.22Å; W1310-F1506 AromaticContact CZ3-CZ 3.86Å; W1310-F1506 HydrophobicContact CZ3-CZ 3.86Å; T1504-F1506 VanDerWaalsContact C-N 3.35Å; T1504-F1506 PolarHBondContact O-N 2.84Å; F1506-T1532 WeakPolarHBondContact O-CG2 3.31Å; F1506-L1554 HydrophobicContact CE2-CD2 4.47Å; F1506-L1656 HydrophobicContact CB-CB 4.13Å; F1506-L1656 HydrophobicContact CD1-CB 4.03Å; F1506-L1656 HydrophobicContact CD1-CD1 3.69Å; F1506-L1656 HydrophobicContact CD1-CG 4.32Å; F1506-L1656 HydrophobicContact CE1-CD1 3.85Å; F1506-L1656 HydrophobicContact CE1-CD2 4.47Å; F1506-L1656 HydrophobicContact CG-CB 4.08Å |
| 1507 | C | 87.8 | Confident | 81.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | trans | -149.8 | 152.3 | 174.1 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | L1308 T1504 | L1308-C1507 HydrophobicContact CD2-CB 4.47Å; T1504-C1507 CarbonylContact O-C 3.48Å | ||
| 1508 | N | 90.5 | Very high | 80.2 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 157.3 | 173.3 | -56.7 | 90.1 | 0 | 0 | 0 | 110.5 | F1399 F1510 K1530 G1531 T1532 | F1399-N1508 WeakPolarHBondContact CE1-OD1 3.16Å; N1508-F1510 HydrophobicContact CB-CE1 4.49Å; N1508-F1510 HydrophobicContact CB-CE2 3.82Å; N1508-F1510 HydrophobicContact CB-CZ 3.78Å; N1508-K1530 WeakPolarHBondContact O-CA 3.47Å; N1508-G1531 CarbonylContact C-O 3.53Å; N1508-G1531 WeakPolarHBondContact CA-O 3.22Å; N1508-G1531 WeakPolarHBondContact CB-O 3.44Å; N1508-G1531 PolarHBondContact N-O 3.13Å; N1508-G1531 PolarHBondContact O-N 3.44Å; N1508-T1532 WeakPolarHBondContact OD1-CB 3.17Å; N1508-T1532 PolarHBondContact OD1-OG1 2.85Å |
| 1509 | T | 90.7 | Very high | 78.8 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.9 | 171.4 | -55.8 | 0 | 0 | 0 | 0 | 108.8 | E1528 K1530 | T1509-E1528 HydrophobicContact CG2-CB 3.89Å; T1509-E1528 HydrophobicContact CG2-CG 4.09Å; T1509-K1530 HydrophobicContact CG2-CG 4.48Å; T1509-K1530 WeakPolarHBondContact OG1-CE 3.15Å |
| 1510 | F | 92.4 | Very high | 77.6 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.9 | 177.2 | -59.5 | -81.8 | 0 | 0 | 0 | 109.7 | I1374 H1391 L1393 F1399 N1508 L1512 E1528 F1529 G1531 F1533 | I1374-F1510 HydrophobicContact CD1-CD2 4.43Å; I1374-F1510 HydrophobicContact CD1-CG 4.32Å; H1391-F1510 AromaticContact CD2-CD1 3.86Å; H1391-F1510 AromaticContact NE2-CD1 3.56Å; L1393-F1510 HydrophobicContact CD1-CE1 4.07Å; F1399-F1510 HydrophobicContact CE1-CZ 4.45Å; F1399-F1510 HydrophobicContact CZ-CE1 4.3Å; F1399-F1510 AromaticContact CZ-CZ 3.95Å; F1399-F1510 HydrophobicContact CZ-CZ 3.95Å; N1508-F1510 HydrophobicContact CB-CE1 4.49Å; N1508-F1510 HydrophobicContact CB-CE2 3.82Å; N1508-F1510 HydrophobicContact CB-CZ 3.78Å; F1510-L1512 PolarHBondContact O-N 2.85Å; F1510-E1528 WeakPolarHBondContact O-CA 3.41Å; F1510-F1529 HydrophobicContact CB-CD1 4.19Å; F1510-F1529 AromaticContact CD2-CD1 3.58Å; F1510-F1529 HydrophobicContact CD2-CD1 3.58Å; F1510-F1529 AromaticContact CD2-CE1 3.84Å; F1510-F1529 HydrophobicContact CD2-CE1 3.84Å; F1510-F1529 HydrophobicContact CE2-CD1 4.41Å; F1510-F1529 HydrophobicContact CE2-CE1 4.23Å; F1510-F1529 HydrophobicContact CG-CD1 4.26Å; F1510-F1529 PolarHBondContact N-O 2.8Å; F1510-F1529 PolarHBondContact O-N 2.85Å; F1510-G1531 VanDerWaalsContact CE2-O 3.32Å; F1510-G1531 WeakPolarHBondContact CE2-O 3.4Å; F1510-F1533 HydrophobicContact CE1-CE2 4.37Å; F1510-F1533 AromaticContact CE2-CE2 3.75Å; F1510-F1533 HydrophobicContact CE2-CE2 3.75Å; F1510-F1533 HydrophobicContact CE2-CZ 4.38Å; F1510-F1533 HydrophobicContact CZ-CD2 4.2Å; F1510-F1533 AromaticContact CZ-CE2 3.52Å; F1510-F1533 HydrophobicContact CZ-CE2 3.52Å |
| 1511 | T | 90.9 | Very high | 75.9 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.6 | 177.7 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | H1391 Y1525 | H1391-T1511 PolarHBondContact ND1-O 3.16Å; T1511-Y1525 HydrophobicContact CG2-CD2 3.65Å; T1511-Y1525 HydrophobicContact CG2-CE2 3.68Å |
| 1512 | L | 90.3 | Very high | 74.6 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.9 | 178.2 | -58 | 168.1 | 0 | 0 | 0 | 109.7 | M1315 V1376 H1391 F1510 A1526 G1527 F1529 | M1315-L1512 HydrophobicContact CE-CD1 4.11Å; M1315-L1512 HydrophobicContact SD-CD1 3.77Å; V1376-L1512 HydrophobicContact CB-CD1 4.3Å; V1376-L1512 HydrophobicContact CG2-CD1 3.55Å; V1376-L1512 HydrophobicContact CG2-CD2 3.92Å; V1376-L1512 HydrophobicContact CG2-CG 4.42Å; H1391-L1512 HydrophobicContact CB-CD2 4.05Å; F1510-L1512 PolarHBondContact O-N 2.85Å; L1512-A1526 HydrophobicContact CB-CB 4.05Å; L1512-A1526 WeakPolarHBondContact O-CB 3.44Å; L1512-A1526 PolarHBondContact O-N 2.76Å; L1512-G1527 WeakPolarHBondContact CB-O 3.09Å; L1512-G1527 PolarHBondContact N-O 3.43Å; L1512-F1529 HydrophobicContact CD1-CB 4.32Å; L1512-F1529 HydrophobicContact CD2-CB 4.11Å; L1512-F1529 HydrophobicContact CG-CB 4.33Å |
| 1513 | S | 83.1 | Confident | 73.5 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 26% | 0.259 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 159.7 | 172.8 | 69.8 | 0 | 0 | 0 | 0 | 111.2 | G1389 V1390 G1515 N1524 | G1389-S1513 CarbonylContact C-O 3.52Å; G1389-S1513 VanDerWaalsContact CA-O 3.24Å; G1389-S1513 WeakPolarHBondContact CA-O 3.25Å; V1390-S1513 PolarHBondContact N-O 2.88Å; V1390-S1513 PolarHBondContact O-N 3.43Å; V1390-S1513 PolarHBondContact O-OG 3Å; V1390-S1513 VanDerWaalsContact O-OG 3.13Å; S1513-G1515 PolarHBondContact O-N 3.45Å; S1513-G1515 PolarHBondContact OG-N 2.91Å; S1513-N1524 CarbonylContact C-O 3.43Å; S1513-N1524 VanDerWaalsContact CA-O 3.24Å; S1513-N1524 WeakPolarHBondContact CA-O 3.46Å |
| 1514 | R | 77.9 | Confident | 72.7 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 13% | 0.125 | 34% | 0.339 | C | S | . | . | trans | -77.1 | -5.8 | 171.1 | -65.5 | -65.1 | -172.3 | -157.3 | -0.1 | 112.1 | R1316 K1317 V1388 N1524 A1526 | R1316-R1514 PolarHBondContact O-NH2 3.09Å; K1317-R1514 PolarHBondContact O-NH2 3.43Å; V1388-R1514 PolarHBondContact O-NH1 3.21Å; R1514-N1524 WeakPolarHBondContact CG-O 3.19Å; R1514-N1524 PolarHBondContact N-O 3.22Å; R1514-N1524 PolarHBondContact N-OD1 3.28Å; R1514-A1526 HydrophobicContact CG-CB 4.09Å | ||
| 1515 | G | 63.3 | Low | 72.6 | Confident | 6 Ų | 6 | 66 Ų | 66 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 73.2 | 29.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1155 G1160 S1513 N1524 | A1155-G1515 WeakPolarHBondContact CB-O 3.24Å; G1160-G1515 VanDerWaalsContact CA-O 3.28Å; G1160-G1515 WeakPolarHBondContact CA-O 3.47Å; S1513-G1515 PolarHBondContact O-N 3.45Å; S1513-G1515 PolarHBondContact OG-N 2.91Å; G1515-N1524 PolarHBondContact N-OD1 3.39Å |
| 1516 | K | 59.4 | Low | 72.7 | Confident | 136 Ų | 136 | 64.4 Ų | 64.4 | 59% | 0.591 | 33% | 0.329 | S | S | * | . | trans | -102.6 | 133.1 | 171.3 | -68.5 | -173.8 | 177.3 | -176.1 | 0 | 110.2 | V1518 N1524 | K1516-V1518 PolarHBondContact O-N 2.95Å; K1516-N1524 PolarHBondContact N-OD1 2.68Å; K1516-N1524 PolarHBondContact O-ND2 2.66Å; K1516-N1524 PolarHBondContact O-OD1 2.57Å | ||
| 1517 | N | 53.6 | Low | 72.9 | Confident | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | trans | -81.3 | 38.2 | -175.9 | -66.1 | -38.6 | 0 | 0 | 0 | 115.5 | L1154 A1155 | L1154-N1517 VanDerWaalsContact C-ND2 3.27Å; L1154-N1517 WeakPolarHBondContact CA-ND2 3.27Å; L1154-N1517 WeakPolarHBondContact CB-ND2 3.49Å; L1154-N1517 HydrophobicContact CD2-CB 4.25Å; A1155-N1517 PolarHBondContact N-ND2 2.9Å; A1155-N1517 PolarHBondContact O-ND2 2.88Å | ||
| 1518 | V | 50.7 | Low | 73.2 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | trans | -110.1 | 90.9 | 172.5 | -163.4 | 0 | 0 | 0 | 0 | 107 | K1516 E1520 D1521 | K1516-V1518 PolarHBondContact O-N 2.95Å; V1518-E1520 HydrophobicContact CG1-CB 4.24Å; V1518-E1520 PolarHBondContact O-N 2.73Å; V1518-D1521 HydrophobicContact CB-CB 3.92Å; V1518-D1521 VanDerWaalsContact CB-OD2 3.3Å; V1518-D1521 WeakPolarHBondContact CB-OD2 3.36Å; V1518-D1521 HydrophobicContact CG1-CB 3.98Å; V1518-D1521 VanDerWaalsContact CG1-OD2 3.31Å; V1518-D1521 WeakPolarHBondContact CG1-OD2 3.33Å; V1518-D1521 PolarHBondContact O-N 2.92Å | ||
| 1519 | D | 47.8 | Very low | 73.4 | Confident | 146 Ų | 146 | 62.7 Ų | 62.7 | 78% | 0.781 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20.1 | 173.4 | -68.8 | -33.5 | 0 | 0 | 0 | 112 | ||
| 1520 | E | 48.4 | Very low | 73.6 | Confident | 159 Ų | 159 | 60.3 Ų | 60.3 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -5.5 | -179.1 | -68.9 | 172.3 | -148.8 | 0 | 0 | 113.8 | K1260 V1518 | K1260-E1520 IonicContact NZ-OE1 2.97Å; V1518-E1520 HydrophobicContact CG1-CB 4.24Å; V1518-E1520 PolarHBondContact O-N 2.73Å |
| 1521 | D | 49.4 | Very low | 73.7 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | trans | -100.1 | 118.3 | 179.7 | -73.7 | -21.5 | 0 | 0 | 0 | 111.8 | V1518 D1523 N1524 | V1518-D1521 HydrophobicContact CB-CB 3.92Å; V1518-D1521 VanDerWaalsContact CB-OD2 3.3Å; V1518-D1521 WeakPolarHBondContact CB-OD2 3.36Å; V1518-D1521 HydrophobicContact CG1-CB 3.98Å; V1518-D1521 VanDerWaalsContact CG1-OD2 3.31Å; V1518-D1521 WeakPolarHBondContact CG1-OD2 3.33Å; V1518-D1521 PolarHBondContact O-N 2.92Å; D1521-D1523 HydrophobicContact CB-CB 4.49Å; D1521-D1523 PolarHBondContact O-N 3.41Å; D1521-N1524 PolarHBondContact O-N 2.91Å; D1521-N1524 VanDerWaalsContact O-N 3.12Å | ||
| 1522 | E | 52.5 | Low | 73.8 | Confident | 173 Ų | 173 | 56.1 Ų | 56.1 | 81% | 0.808 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -54.7 | -16.6 | 170.4 | -68.6 | -173.4 | 165.3 | 0 | 0 | 113.4 | R1316 N1524 | R1316-E1522 PolarHBondContact NH1-O 2.74Å; E1522-N1524 VanDerWaalsContact C-N 3.32Å; E1522-N1524 PolarHBondContact O-N 3.48Å |
| 1523 | D | 62.6 | Low | 74 | Confident | 127 Ų | 127 | 56.1 Ų | 56.1 | 68% | 0.679 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -74.8 | -12.1 | 179.4 | -84.2 | -17.8 | 0 | 0 | 0 | 114.5 | D1521 | D1521-D1523 HydrophobicContact CB-CB 4.49Å; D1521-D1523 PolarHBondContact O-N 3.41Å |
| 1524 | N | 75.3 | Confident | 74.4 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -78.6 | -19.7 | 179.8 | -164 | 30.1 | 0 | 0 | 0 | 113.6 | S1513 R1514 G1515 K1516 D1521 E1522 A1526 | S1513-N1524 CarbonylContact C-O 3.43Å; S1513-N1524 VanDerWaalsContact CA-O 3.24Å; S1513-N1524 WeakPolarHBondContact CA-O 3.46Å; R1514-N1524 WeakPolarHBondContact CG-O 3.19Å; R1514-N1524 PolarHBondContact N-O 3.22Å; R1514-N1524 PolarHBondContact N-OD1 3.28Å; G1515-N1524 PolarHBondContact N-OD1 3.39Å; K1516-N1524 PolarHBondContact N-OD1 2.68Å; K1516-N1524 PolarHBondContact O-ND2 2.66Å; K1516-N1524 PolarHBondContact O-OD1 2.57Å; D1521-N1524 PolarHBondContact O-N 2.91Å; D1521-N1524 VanDerWaalsContact O-N 3.12Å; E1522-N1524 VanDerWaalsContact C-N 3.32Å; E1522-N1524 PolarHBondContact O-N 3.48Å; N1524-A1526 PolarHBondContact O-N 3.31Å |
| 1525 | Y | 84.3 | Confident | 75.1 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 128.6 | 176.4 | 177.4 | -85.6 | 0 | 0 | 0 | 111.3 | A1314 R1316 T1511 E1528 | A1314-Y1525 WeakPolarHBondContact CB-OH 3.35Å; R1316-Y1525 WeakPolarHBondContact CD-O 3.43Å; R1316-Y1525 HydrophobicContact CG-CD1 4.01Å; R1316-Y1525 HydrophobicContact CG-CE1 4.21Å; R1316-Y1525 VanDerWaalsContact NE-CD1 3.27Å; T1511-Y1525 HydrophobicContact CG2-CD2 3.65Å; T1511-Y1525 HydrophobicContact CG2-CE2 3.68Å; Y1525-E1528 VanDerWaalsContact OH-CG 3.31Å; Y1525-E1528 WeakPolarHBondContact OH-CG 3.46Å |
| 1526 | A | 87.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -25.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1316 V1388 L1512 R1514 N1524 | R1316-A1526 PolarHBondContact N-O 2.86Å; V1388-A1526 WeakPolarHBondContact O-CB 3.38Å; L1512-A1526 HydrophobicContact CB-CB 4.05Å; L1512-A1526 WeakPolarHBondContact O-CB 3.44Å; L1512-A1526 PolarHBondContact O-N 2.76Å; R1514-A1526 HydrophobicContact CG-CB 4.09Å; N1524-A1526 PolarHBondContact O-N 3.31Å |
| 1527 | G | 92 | Very high | 78 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.9 | -158.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1314 L1512 | A1314-G1527 WeakPolarHBondContact O-CA 3.45Å; L1512-G1527 WeakPolarHBondContact CB-O 3.09Å; L1512-G1527 PolarHBondContact N-O 3.43Å |
| 1528 | E | 94.5 | Very high | 79.8 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.1 | -178.2 | -54.2 | 172.6 | 157.3 | 0 | 0 | 111 | V1312 R1313 A1314 T1509 F1510 Y1525 K1626 | V1312-E1528 CarbonylContact C-O 3.56Å; V1312-E1528 WeakPolarHBondContact CA-O 3.47Å; R1313-E1528 HydrophobicContact CB-CB 4.11Å; R1313-E1528 WeakPolarHBondContact CB-OE2 3.41Å; R1313-E1528 PolarHBondContact N-O 3.4Å; R1313-E1528 PolarHBondContact O-N 2.86Å; A1314-E1528 HydrophobicContact CB-CG 4.48Å; T1509-E1528 HydrophobicContact CG2-CB 3.89Å; T1509-E1528 HydrophobicContact CG2-CG 4.09Å; F1510-E1528 WeakPolarHBondContact O-CA 3.41Å; Y1525-E1528 VanDerWaalsContact OH-CG 3.31Å; Y1525-E1528 WeakPolarHBondContact OH-CG 3.46Å; E1528-K1626 IonicContact OE2-NZ 3.85Å |
| 1529 | F | 95.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.3 | 167.4 | 164 | -108 | 0 | 0 | 0 | 109 | C1309 G1311 V1328 F1330 I1374 F1510 L1512 | C1309-F1529 HydrophobicContact CB-CE2 4.47Å; C1309-F1529 HydrophobicContact CB-CZ 4.49Å; G1311-F1529 WeakPolarHBondContact O-CD2 3.12Å; V1328-F1529 HydrophobicContact CG1-CD2 4.5Å; V1328-F1529 HydrophobicContact CG1-CE2 4.48Å; V1328-F1529 HydrophobicContact CG2-CD2 3.95Å; V1328-F1529 HydrophobicContact CG2-CE2 4.21Å; F1330-F1529 AromaticContact CE1-CE1 3.75Å; F1330-F1529 HydrophobicContact CE1-CE1 3.75Å; F1330-F1529 AromaticContact CE1-CZ 3.68Å; F1330-F1529 HydrophobicContact CE1-CZ 3.68Å; F1330-F1529 AromaticContact CZ-CE1 3.95Å; F1330-F1529 HydrophobicContact CZ-CE1 3.95Å; F1330-F1529 AromaticContact CZ-CE2 3.89Å; F1330-F1529 HydrophobicContact CZ-CE2 3.89Å; F1330-F1529 AromaticContact CZ-CZ 3.38Å; F1330-F1529 HydrophobicContact CZ-CZ 3.38Å; I1374-F1529 HydrophobicContact CD1-CD1 4.18Å; I1374-F1529 HydrophobicContact CD1-CE1 4.25Å; I1374-F1529 HydrophobicContact CG2-CD1 3.73Å; I1374-F1529 HydrophobicContact CG2-CE1 4.12Å; I1374-F1529 HydrophobicContact CG2-CG 4.09Å; F1510-F1529 HydrophobicContact CB-CD1 4.19Å; F1510-F1529 AromaticContact CD2-CD1 3.58Å; F1510-F1529 HydrophobicContact CD2-CD1 3.58Å; F1510-F1529 AromaticContact CD2-CE1 3.84Å; F1510-F1529 HydrophobicContact CD2-CE1 3.84Å; F1510-F1529 HydrophobicContact CE2-CD1 4.41Å; F1510-F1529 HydrophobicContact CE2-CE1 4.23Å; F1510-F1529 HydrophobicContact CG-CD1 4.26Å; F1510-F1529 PolarHBondContact N-O 2.8Å; F1510-F1529 PolarHBondContact O-N 2.85Å; L1512-F1529 HydrophobicContact CD1-CB 4.32Å; L1512-F1529 HydrophobicContact CD2-CB 4.11Å; L1512-F1529 HydrophobicContact CG-CB 4.33Å |
| 1530 | K | 94.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.7 | 172 | -77.4 | -163.2 | 173.2 | -175 | 0 | 109.9 | W1310 G1311 R1313 N1508 T1509 D1650 E1652 N1653 | W1310-K1530 HydrophobicContact CB-CB 4.45Å; W1310-K1530 VanDerWaalsContact CB-O 3.3Å; W1310-K1530 WeakPolarHBondContact CB-O 3.4Å; W1310-K1530 PolarHBondContact N-O 2.92Å; W1310-K1530 VanDerWaalsContact N-O 3.1Å; G1311-K1530 PolarHBondContact N-O 2.66Å; G1311-K1530 PolarHBondContact O-N 3.38Å; R1313-K1530 HydrophobicContact CG-CD 4.22Å; R1313-K1530 HydrophobicContact CG-CG 4.21Å; N1508-K1530 WeakPolarHBondContact O-CA 3.47Å; T1509-K1530 HydrophobicContact CG2-CG 4.48Å; T1509-K1530 WeakPolarHBondContact OG1-CE 3.15Å; K1530-D1650 IonicContact NZ-OD1 3.05Å; K1530-D1650 PolarHBondContact NZ-OD1 2.8Å; K1530-D1650 IonicContact NZ-OD2 3.71Å; K1530-D1650 PolarHBondContact NZ-OD2 3.12Å; K1530-E1652 WeakPolarHBondContact CD-OE2 3.27Å; K1530-E1652 WeakPolarHBondContact CE-OE2 3.35Å; K1530-E1652 IonicContact NZ-OE2 3.93Å; K1530-E1652 PolarHBondContact NZ-OE2 2.62Å; K1530-N1653 PolarHBondContact NZ-OD1 3.36Å |
| 1531 | G | 94.3 | Very high | 85 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 177.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1308 N1508 F1510 | L1308-G1531 CarbonylContact O-C 3.53Å; L1308-G1531 WeakPolarHBondContact O-CA 3.49Å; N1508-G1531 CarbonylContact C-O 3.53Å; N1508-G1531 WeakPolarHBondContact CA-O 3.22Å; N1508-G1531 WeakPolarHBondContact CB-O 3.44Å; N1508-G1531 PolarHBondContact N-O 3.13Å; N1508-G1531 PolarHBondContact O-N 3.44Å; F1510-G1531 VanDerWaalsContact CE2-O 3.32Å; F1510-G1531 WeakPolarHBondContact CE2-O 3.4Å |
| 1532 | T | 93.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 171.6 | 173.7 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | L1308 F1506 N1508 R1534 F1551 | L1308-T1532 HydrophobicContact CB-CG2 3.99Å; L1308-T1532 HydrophobicContact CD2-CG2 4.12Å; L1308-T1532 PolarHBondContact N-O 2.8Å; L1308-T1532 PolarHBondContact O-N 2.84Å; F1506-T1532 WeakPolarHBondContact O-CG2 3.31Å; N1508-T1532 WeakPolarHBondContact OD1-CB 3.17Å; N1508-T1532 PolarHBondContact OD1-OG1 2.85Å; T1532-R1534 PolarHBondContact OG1-NH1 2.88Å; T1532-F1551 HydrophobicContact CG2-CE1 4.42Å; T1532-F1551 HydrophobicContact CG2-CZ 3.87Å |
| 1533 | F | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.2 | -171.5 | -48.8 | -80.7 | 0 | 0 | 0 | 111.7 | I1305 E1306 I1307 F1330 M1372 I1374 L1393 F1399 F1510 I1535 | I1305-F1533 HydrophobicContact CG2-CB 4.49Å; I1305-F1533 HydrophobicContact CG2-CD1 4.28Å; E1306-F1533 CarbonylContact O-C 3.5Å; E1306-F1533 VanDerWaalsContact O-CA 3.27Å; E1306-F1533 WeakPolarHBondContact O-CA 3.35Å; I1307-F1533 HydrophobicContact CB-CD1 4.23Å; I1307-F1533 HydrophobicContact CB-CE1 4.36Å; I1307-F1533 HydrophobicContact CD1-CE1 4.41Å; I1307-F1533 HydrophobicContact CG1-CD1 3.95Å; I1307-F1533 HydrophobicContact CG1-CE1 4.18Å; I1307-F1533 HydrophobicContact CG2-CD1 3.93Å; I1307-F1533 HydrophobicContact CG2-CE1 3.62Å; F1330-F1533 AromaticContact CD1-CE1 3.93Å; F1330-F1533 HydrophobicContact CD1-CE1 3.93Å; F1330-F1533 HydrophobicContact CD1-CZ 4.23Å; F1330-F1533 AromaticContact CE1-CE1 3.87Å; F1330-F1533 HydrophobicContact CE1-CE1 3.87Å; F1330-F1533 AromaticContact CE1-CZ 3.98Å; F1330-F1533 HydrophobicContact CE1-CZ 3.98Å; M1372-F1533 HydrophobicContact CE-CD1 3.68Å; M1372-F1533 HydrophobicContact CE-CD2 3.85Å; M1372-F1533 HydrophobicContact CE-CE1 3.28Å; M1372-F1533 HydrophobicContact CE-CE2 3.47Å; M1372-F1533 VanDerWaalsContact CE-CE2 3.47Å; M1372-F1533 HydrophobicContact CE-CG 3.96Å; M1372-F1533 HydrophobicContact CE-CZ 3.19Å; M1372-F1533 HydrophobicContact SD-CD1 4.27Å; M1372-F1533 HydrophobicContact SD-CE1 3.8Å; M1372-F1533 HydrophobicContact SD-CZ 4.18Å; I1374-F1533 HydrophobicContact CD1-CE2 4.36Å; I1374-F1533 HydrophobicContact CD1-CZ 3.86Å; L1393-F1533 HydrophobicContact CD2-CD2 4.07Å; L1393-F1533 HydrophobicContact CD2-CE2 3.88Å; F1399-F1533 HydrophobicContact CB-CB 3.93Å; F1399-F1533 HydrophobicContact CD1-CB 4.01Å; F1399-F1533 HydrophobicContact CD1-CD2 4.02Å; F1399-F1533 HydrophobicContact CD2-CD2 4.29Å; F1399-F1533 HydrophobicContact CE1-CD2 4.04Å; F1399-F1533 HydrophobicContact CE2-CD2 4.34Å; F1399-F1533 HydrophobicContact CG-CB 3.95Å; F1399-F1533 HydrophobicContact CG-CD2 4.16Å; F1399-F1533 HydrophobicContact CZ-CD2 4.21Å; F1510-F1533 HydrophobicContact CE1-CE2 4.37Å; F1510-F1533 AromaticContact CE2-CE2 3.75Å; F1510-F1533 HydrophobicContact CE2-CE2 3.75Å; F1510-F1533 HydrophobicContact CE2-CZ 4.38Å; F1510-F1533 HydrophobicContact CZ-CD2 4.2Å; F1510-F1533 AromaticContact CZ-CE2 3.52Å; F1510-F1533 HydrophobicContact CZ-CE2 3.52Å; F1533-I1535 HydrophobicContact CB-CG1 4.47Å |
| 1534 | R | 91.8 | Very high | 89.1 | Confident | 53 Ų | 53 | 45 Ų | 45 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.3 | 165 | -62.6 | -67.1 | 178.8 | -92.1 | 0.6 | 108.5 | I1305 E1306 F1399 V1401 T1532 Y1550 F1551 | I1305-R1534 WeakPolarHBondContact CA-O 3.17Å; E1306-R1534 HydrophobicContact CB-CB 4.23Å; E1306-R1534 PolarHBondContact N-O 3.42Å; E1306-R1534 PolarHBondContact O-N 3.4Å; F1399-R1534 WeakPolarHBondContact O-CA 3.17Å; V1401-R1534 HydrophobicContact CG2-CB 3.8Å; V1401-R1534 HydrophobicContact CG2-CG 4.38Å; T1532-R1534 PolarHBondContact OG1-NH1 2.88Å; R1534-Y1550 HydrophobicContact CB-CD2 4.37Å; R1534-Y1550 HydrophobicContact CG-CG 4.3Å; R1534-F1551 HydrophobicContact CB-CE2 4.45Å; R1534-F1551 HydrophobicContact CG-CE1 4.21Å; R1534-F1551 HydrophobicContact CG-CE2 3.89Å; R1534-F1551 HydrophobicContact CG-CZ 3.55Å |
| 1535 | I | 92.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.7 | -173.1 | -54.9 | 177.5 | 0 | 0 | 0 | 108.6 | T1303 G1304 I1305 F1396 F1399 K1400 V1401 F1533 | T1303-I1535 HydrophobicContact CG2-CG2 3.56Å; G1304-I1535 WeakPolarHBondContact O-CA 3.41Å; I1305-I1535 HydrophobicContact CG1-CG1 4.25Å; I1305-I1535 HydrophobicContact CG1-CG2 4.43Å; I1305-I1535 HydrophobicContact CG2-CG1 4.14Å; F1396-I1535 HydrophobicContact CB-CD1 4.07Å; F1396-I1535 HydrophobicContact CD1-CD1 3.5Å; F1396-I1535 HydrophobicContact CE1-CD1 4.34Å; F1396-I1535 HydrophobicContact CG-CD1 4.15Å; F1399-I1535 HydrophobicContact CB-CD1 4.05Å; F1399-I1535 HydrophobicContact CB-CG1 4.22Å; F1399-I1535 PolarHBondContact O-N 2.77Å; K1400-I1535 WeakPolarHBondContact CA-O 3.34Å; K1400-I1535 HydrophobicContact CG-CB 4.38Å; V1401-I1535 PolarHBondContact N-O 2.75Å; F1533-I1535 HydrophobicContact CB-CG1 4.47Å |
| 1536 | Y | 91.7 | Very high | 89.4 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 152.3 | -178.6 | 52.8 | -92.9 | 0 | 0 | 0 | 111.8 | G1304 E1306 V1401 A1403 L1538 P1547 Y1550 | G1304-Y1536 PolarHBondContact N-O 2.88Å; G1304-Y1536 PolarHBondContact O-N 2.82Å; E1306-Y1536 HydrophobicContact CG-CE1 3.95Å; E1306-Y1536 WeakPolarHBondContact OE1-CE1 3.43Å; E1306-Y1536 VanDerWaalsContact OE1-CZ 3.23Å; E1306-Y1536 PolarHBondContact OE1-OH 3.02Å; V1401-Y1536 HydrophobicContact CG2-CD1 3.95Å; V1401-Y1536 VanDerWaalsContact O-CB 3.22Å; V1401-Y1536 WeakPolarHBondContact O-CB 3.34Å; A1403-Y1536 HydrophobicContact CB-CD2 4.21Å; Y1536-L1538 HydrophobicContact CD2-CD2 4.09Å; Y1536-L1538 HydrophobicContact CE2-CD2 3.67Å; Y1536-P1547 HydrophobicContact CD2-CG 4.48Å; Y1536-P1547 HydrophobicContact CE2-CB 4.12Å; Y1536-P1547 HydrophobicContact CE2-CG 4.22Å; Y1536-Y1550 HydrophobicContact CD1-CD2 4.41Å; Y1536-Y1550 HydrophobicContact CD1-CE2 4.42Å; Y1536-Y1550 HydrophobicContact CE1-CD2 4.18Å |
| 1537 | P | 91.1 | Very high | 89.2 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 144.3 | 177.4 | 28.5 | -34.4 | 0 | 0 | 0 | 111.3 | ||
| 1538 | L | 91.6 | Very high | 88.8 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | trans | -105.4 | 158.6 | 173.1 | -64.1 | 177.1 | 0 | 0 | 0 | 110.5 | R1302 F1357 D1359 Y1536 L1546 P1547 | R1302-L1538 HydrophobicContact CB-CB 4.43Å; R1302-L1538 HydrophobicContact CG-CB 4.11Å; R1302-L1538 HydrophobicContact CG-CD1 4.27Å; R1302-L1538 PolarHBondContact O-N 3.13Å; F1357-L1538 HydrophobicContact CZ-CD1 4.06Å; F1357-L1538 HydrophobicContact CZ-CD2 4.47Å; D1359-L1538 HydrophobicContact CB-CD1 4.37Å; Y1536-L1538 HydrophobicContact CD2-CD2 4.09Å; Y1536-L1538 HydrophobicContact CE2-CD2 3.67Å; L1538-L1546 HydrophobicContact CD1-CD2 4.29Å; L1538-L1546 HydrophobicContact CD2-CD2 4.06Å; L1538-P1547 HydrophobicContact CD2-CG 4.17Å | ||
| 1539 | P | 87.8 | Confident | 88.3 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | trans | -53.5 | 140 | 169.8 | -25.7 | 34.5 | 0 | 0 | 0 | 112.6 | R1302 D1541 E1544 | R1302-P1539 PolarHBondContact NH1-O 2.88Å; P1539-D1541 VanDerWaalsContact C-N 3.35Å; P1539-D1541 PolarHBondContact O-N 3.05Å; P1539-E1544 HydrophobicContact CB-CB 3.8Å; P1539-E1544 WeakPolarHBondContact CB-OE2 3.33Å; P1539-E1544 HydrophobicContact CG-CB 4.22Å | ||
| 1540 | E | 82.8 | Confident | 87.6 | Confident | 160 Ų | 160 | 61.6 Ų | 61.6 | 75% | 0.748 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -63.8 | -38.1 | -179.1 | -70 | -171 | 168.7 | 0 | 0 | 111.9 | P1542 | E1540-P1542 WeakPolarHBondContact O-CD 3.35Š|
| 1541 | D | 84.6 | Confident | 87.1 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -79.4 | 118.8 | 173.8 | -172.3 | -9.1 | 0 | 0 | 0 | 111 | P1539 K1543 E1544 | P1539-D1541 VanDerWaalsContact C-N 3.35Å; P1539-D1541 PolarHBondContact O-N 3.05Å; D1541-K1543 PolarHBondContact O-N 2.77Å; D1541-K1543 WeakPolarHBondContact OD1-CB 3.47Å; D1541-K1543 WeakPolarHBondContact OD1-CG 3.23Å; D1541-K1543 PolarHBondContact OD1-N 2.88Å; D1541-E1544 HydrophobicContact CB-CG 4.21Å; D1541-E1544 PolarHBondContact O-N 2.76Å; D1541-E1544 VanDerWaalsContact O-N 3.13Å |
| 1542 | P | 81 | Confident | 86 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 60% | 0.597 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -18 | 173.1 | -23.6 | 35.3 | 0 | 0 | 0 | 116.2 | E1540 | E1540-P1542 WeakPolarHBondContact O-CD 3.35Š|
| 1543 | K | 86.2 | Confident | 84.8 | Confident | 189 Ų | 189 | 76.9 Ų | 76.9 | 82% | 0.822 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -16.3 | 179.7 | -61.6 | 174.1 | -176 | 170.5 | 0 | 113.6 | D1541 | D1541-K1543 PolarHBondContact O-N 2.77Å; D1541-K1543 WeakPolarHBondContact OD1-CB 3.47Å; D1541-K1543 WeakPolarHBondContact OD1-CG 3.23Å; D1541-K1543 PolarHBondContact OD1-N 2.88Å |
| 1544 | E | 85.3 | Confident | 83.9 | Confident | 115 Ų | 115 | 79.4 Ų | 79.4 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -69.7 | 153.9 | 175.7 | -77.5 | -174.4 | -162 | 0 | 0 | 111.6 | P1539 D1541 L1546 | P1539-E1544 HydrophobicContact CB-CB 3.8Å; P1539-E1544 WeakPolarHBondContact CB-OE2 3.33Å; P1539-E1544 HydrophobicContact CG-CB 4.22Å; D1541-E1544 HydrophobicContact CB-CG 4.21Å; D1541-E1544 PolarHBondContact O-N 2.76Å; D1541-E1544 VanDerWaalsContact O-N 3.13Å; E1544-L1546 PolarHBondContact O-N 2.82Å |
| 1545 | Q | 81.1 | Confident | 82.8 | Confident | 183 Ų | 183 | 82 Ų | 82 | 86% | 0.855 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 126.3 | -179 | -172.7 | 171.3 | -2.1 | 0 | 0 | 110 | ||
| 1546 | L | 84.1 | Confident | 82.1 | Confident | 72 Ų | 72 | 83.1 Ų | 83.1 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 146.2 | 178.1 | -65.3 | 173.8 | 0 | 0 | 0 | 111 | L1538 E1544 | L1538-L1546 HydrophobicContact CD1-CD2 4.29Å; L1538-L1546 HydrophobicContact CD2-CD2 4.06Å; E1544-L1546 PolarHBondContact O-N 2.82Å |
| 1547 | P | 83.9 | Confident | 81.6 | Confident | 24 Ų | 24 | 86.3 Ų | 86.3 | 16% | 0.156 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 153.5 | 169.9 | -25.4 | 34.7 | 0 | 0 | 0 | 112.5 | A1403 R1404 Y1536 L1538 | A1403-P1547 HydrophobicContact CB-CB 4.01Å; A1403-P1547 HydrophobicContact CB-CG 3.84Å; R1404-P1547 WeakPolarHBondContact O-CB 3.5Å; Y1536-P1547 HydrophobicContact CD2-CG 4.48Å; Y1536-P1547 HydrophobicContact CE2-CB 4.12Å; Y1536-P1547 HydrophobicContact CE2-CG 4.22Å; L1538-P1547 HydrophobicContact CD2-CG 4.17Å |
| 1548 | I | 82.2 | Confident | 81.3 | Confident | 38 Ų | 38 | 84.1 Ų | 84.1 | 20% | 0.195 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 134.3 | 177.7 | -65 | 163 | 0 | 0 | 0 | 109.1 | R1404 Q1407 E1552 | R1404-I1548 HydrophobicContact CB-CB 4.18Å; R1404-I1548 WeakPolarHBondContact CB-O 3.47Å; R1404-I1548 PolarHBondContact O-N 2.6Å; Q1407-I1548 HydrophobicContact CG-CD1 3.84Å; Q1407-I1548 HydrophobicContact CG-CG2 4.45Å; Q1407-I1548 VanDerWaalsContact N-CD1 3.33Å; I1548-E1552 WeakPolarHBondContact CG2-OE2 3.46Å |
| 1549 | R | 85.2 | Confident | 81.2 | Confident | 115 Ų | 115 | 88.5 Ų | 88.5 | 43% | 0.434 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 141.4 | -175.4 | -68.7 | -175.6 | -176.1 | 173.3 | 0.9 | 112.2 | E1306 E1552 | E1306-R1549 HydrophobicContact CG-CG 4.49Å; E1306-R1549 WeakPolarHBondContact OE1-CA 3.27Å; E1306-R1549 WeakPolarHBondContact OE1-CB 3.4Å; R1549-E1552 HydrophobicContact CB-CB 4.35Å |
| 1550 | Y | 81.1 | Confident | 81.5 | Confident | 53 Ų | 53 | 89.1 Ų | 89.1 | 21% | 0.208 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -40.2 | 173.9 | -82.5 | -87.6 | 0 | 0 | 0 | 111.7 | E1306 V1401 P1402 R1404 L1411 R1534 Y1536 E1552 | E1306-Y1550 VanDerWaalsContact CD-N 3.33Å; E1306-Y1550 PolarHBondContact OE1-N 2.88Å; E1306-Y1550 PolarHBondContact OE2-N 2.9Å; V1401-Y1550 HydrophobicContact CB-CE2 4.16Å; V1401-Y1550 HydrophobicContact CG2-CD2 3.97Å; V1401-Y1550 HydrophobicContact CG2-CE2 3.48Å; V1401-Y1550 VanDerWaalsContact CG2-CE2 3.48Å; P1402-Y1550 VanDerWaalsContact O-CE2 3.24Å; P1402-Y1550 WeakPolarHBondContact O-CE2 3.39Å; P1402-Y1550 PolarHBondContact O-OH 3.02Å; R1404-Y1550 HydrophobicContact CG-CD1 4.47Å; R1404-Y1550 HydrophobicContact CG-CD2 4.26Å; R1404-Y1550 HydrophobicContact CG-CE1 3.93Å; R1404-Y1550 HydrophobicContact CG-CE2 3.69Å; L1411-Y1550 HydrophobicContact CD2-CD1 4.23Å; L1411-Y1550 HydrophobicContact CD2-CE1 4.12Å; R1534-Y1550 HydrophobicContact CB-CD2 4.37Å; R1534-Y1550 HydrophobicContact CG-CG 4.3Å; Y1536-Y1550 HydrophobicContact CD1-CD2 4.41Å; Y1536-Y1550 HydrophobicContact CD1-CE2 4.42Å; Y1536-Y1550 HydrophobicContact CE1-CD2 4.18Å; Y1550-E1552 VanDerWaalsContact C-N 3.35Å; Y1550-E1552 PolarHBondContact O-N 3.3Å |
| 1551 | F | 81.9 | Confident | 81.9 | Confident | 24 Ų | 24 | 84 Ų | 84 | 11% | 0.105 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 23.4 | -179.4 | -53.9 | -49.2 | 0 | 0 | 0 | 114.1 | E1306 L1308 L1355 T1532 R1534 K1553 | E1306-F1551 HydrophobicContact CB-CD2 3.72Å; E1306-F1551 HydrophobicContact CB-CE2 3.9Å; E1306-F1551 PolarHBondContact OE2-N 3.43Å; L1308-F1551 HydrophobicContact CB-CD2 4.25Å; L1308-F1551 HydrophobicContact CB-CE1 4.43Å; L1308-F1551 HydrophobicContact CB-CE2 3.94Å; L1308-F1551 HydrophobicContact CB-CZ 4.04Å; L1355-F1551 HydrophobicContact CD1-CB 4.34Å; L1355-F1551 WeakPolarHBondContact CD1-O 3.32Å; L1355-F1551 HydrophobicContact CD2-CB 3.52Å; L1355-F1551 HydrophobicContact CD2-CD2 4.4Å; L1355-F1551 HydrophobicContact CD2-CG 4.14Å; T1532-F1551 HydrophobicContact CG2-CE1 4.42Å; T1532-F1551 HydrophobicContact CG2-CZ 3.87Å; R1534-F1551 HydrophobicContact CB-CE2 4.45Å; R1534-F1551 HydrophobicContact CG-CE1 4.21Å; R1534-F1551 HydrophobicContact CG-CE2 3.89Å; R1534-F1551 HydrophobicContact CG-CZ 3.55Å; F1551-K1553 VanDerWaalsContact C-N 3.27Å; F1551-K1553 PolarHBondContact O-N 3Å; F1551-K1553 VanDerWaalsContact O-N 3.17Å |
| 1552 | E | 72.2 | Confident | 82.4 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -56.1 | -36 | -173.5 | -168.8 | 179.2 | -173.5 | 0 | 0 | 113.9 | I1548 R1549 Y1550 | I1548-E1552 WeakPolarHBondContact CG2-OE2 3.46Å; R1549-E1552 HydrophobicContact CB-CB 4.35Å; Y1550-E1552 VanDerWaalsContact C-N 3.35Å; Y1550-E1552 PolarHBondContact O-N 3.3Å |
| 1553 | K | 67.7 | Low | 83 | Confident | 192 Ų | 192 | 79.9 Ų | 79.9 | 84% | 0.835 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -136.8 | 119.3 | 171.1 | -71.7 | -178.1 | -178.7 | 174.8 | 0 | 110.2 | F1551 | F1551-K1553 VanDerWaalsContact C-N 3.27Å; F1551-K1553 PolarHBondContact O-N 3Å; F1551-K1553 VanDerWaalsContact O-N 3.17Å |
| 1554 | L | 75.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | trans | -77.5 | 131 | 169.5 | -65.6 | 172.1 | 0 | 0 | 0 | 109.4 | L1308 W1310 P1354 L1355 F1506 V1556 | L1308-L1554 HydrophobicContact CD1-CD1 4.01Å; L1308-L1554 HydrophobicContact CD1-CD2 4.05Å; W1310-L1554 HydrophobicContact CZ3-CD1 4.33Å; P1354-L1554 HydrophobicContact CG-CD1 3.88Å; L1355-L1554 HydrophobicContact CD1-CD1 4.37Å; L1355-L1554 HydrophobicContact CD1-CG 4.35Å; L1355-L1554 HydrophobicContact CD2-CD1 3.93Å; L1355-L1554 HydrophobicContact CD2-CD2 4.26Å; L1355-L1554 HydrophobicContact CD2-CG 4.18Å; L1355-L1554 HydrophobicContact CG-CD1 4.15Å; F1506-L1554 HydrophobicContact CE2-CD2 4.47Å; L1554-V1556 PolarHBondContact O-N 3.26Å | ||
| 1555 | S | 69.1 | Low | 83.9 | Confident | 106 Ų | 106 | 66.9 Ų | 66.9 | 74% | 0.741 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -76.3 | -6.3 | 174.8 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1556 | V | 77.5 | Confident | 84.6 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -126.2 | 136.6 | -175.6 | -171.4 | 0 | 0 | 0 | 0 | 110 | L1554 L1656 | L1554-V1556 PolarHBondContact O-N 3.26Å; V1556-L1656 HydrophobicContact CB-CD2 4.45Å; V1556-L1656 HydrophobicContact CG1-CD2 3.7Å; V1556-L1656 HydrophobicContact CG2-CD2 4.44Å |
| 1557 | S | 82.7 | Confident | 85.2 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | trans | -73.3 | 145.8 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | W1310 D1559 | W1310-S1557 WeakPolarHBondContact CH2-O 3.44Å; S1557-D1559 VanDerWaalsContact C-N 3.25Å; S1557-D1559 PolarHBondContact OG-N 2.89Å; S1557-D1559 PolarHBondContact OG-OD2 2.77Å | ||
| 1558 | S | 84.3 | Confident | 85.8 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -77.2 | -10 | 172 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | N1348 N1350 | N1348-S1558 PolarHBondContact ND2-O 3.07Å; N1350-S1558 WeakPolarHBondContact CB-O 2.89Å; N1350-S1558 PolarHBondContact ND2-O 2.96Å |
| 1559 | D | 89.9 | Confident | 86.5 | Confident | 105 Ų | 105 | 52.3 Ų | 52.3 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -72.5 | 144.1 | -179.5 | -65.8 | -42.9 | 0 | 0 | 0 | 111.4 | S1557 E1561 | S1557-D1559 VanDerWaalsContact C-N 3.25Å; S1557-D1559 PolarHBondContact OG-N 2.89Å; S1557-D1559 PolarHBondContact OG-OD2 2.77Å; D1559-E1561 PolarHBondContact O-N 2.78Å |
| 1560 | P | 92.4 | Very high | 86.9 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | trans | -60.9 | 136.3 | 175.8 | -20.7 | 33.1 | 0 | 0 | 0 | 111.2 | N1348 I1621 L1622 I1624 | N1348-P1560 HydrophobicContact CB-CG 3.83Å; P1560-I1621 HydrophobicContact CB-CG2 3.56Å; P1560-L1622 CarbonylContact C-O 3.56Å; P1560-L1622 WeakPolarHBondContact CA-O 3.49Å; P1560-I1624 HydrophobicContact CB-CD1 4Å; P1560-I1624 HydrophobicContact CB-CG1 4.27Å; P1560-I1624 HydrophobicContact CG-CD1 4.09Å; P1560-I1624 HydrophobicContact CG-CG1 4.38Å | ||
| 1561 | E | 92 | Very high | 87.5 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.4 | -176.6 | -177.4 | 170.2 | -129.2 | 0 | 0 | 109.9 | D1559 C1563 L1622 R1655 P1783 S1785 | D1559-E1561 PolarHBondContact O-N 2.78Å; E1561-C1563 PolarHBondContact O-N 2.86Å; E1561-L1622 PolarHBondContact N-O 3.42Å; E1561-L1622 PolarHBondContact O-N 2.98Å; E1561-R1655 IonicContact OE1-NH2 3.89Å; E1561-R1655 IonicContact OE2-CZ 2.95Å; E1561-R1655 IonicContact OE2-NE 2.79Å; E1561-R1655 PolarHBondContact OE2-NE 3.25Å; E1561-R1655 VanDerWaalsContact OE2-NE 3.1Å; E1561-R1655 IonicContact OE2-NH2 3.68Å; E1561-R1655 PolarHBondContact OE2-NH2 3.1Å; E1561-P1783 HydrophobicContact CG-CB 4.32Å; E1561-P1783 WeakPolarHBondContact OE1-CB 3.21Å; E1561-S1785 PolarHBondContact OE1-OG 3.39Å |
| 1562 | E | 94.9 | Very high | 88.1 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.8 | 171.9 | -171 | -167.7 | -132.2 | 0 | 0 | 109.1 | K1619 C1620 T1784 | E1562-K1619 WeakPolarHBondContact OE1-CD 3.23Å; E1562-K1619 IonicContact OE1-NZ 2.69Å; E1562-K1619 PolarHBondContact OE1-NZ 2.94Å; E1562-K1619 IonicContact OE2-NZ 3.56Å; E1562-K1619 PolarHBondContact OE2-NZ 2.93Å; E1562-C1620 WeakPolarHBondContact CA-O 3.36Å; E1562-T1784 HydrophobicContact CG-CG2 4.06Å; E1562-T1784 PolarHBondContact O-N 3.03Å; E1562-T1784 PolarHBondContact O-OG1 3.18Å; E1562-T1784 WeakPolarHBondContact OE2-CG2 3.15Å; E1562-T1784 PolarHBondContact OE2-OG1 3.17Å |
| 1563 | C | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138 | 179.3 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | E1561 K1619 C1620 L1622 I1781 F1782 | E1561-C1563 PolarHBondContact O-N 2.86Å; C1563-K1619 CarbonylContact O-C 3.52Å; C1563-K1619 WeakPolarHBondContact O-CA 3.47Å; C1563-C1620 PolarHBondContact N-O 2.9Å; C1563-C1620 PolarHBondContact O-N 2.67Å; C1563-L1622 HydrophobicContact CB-CD1 4.39Å; C1563-I1781 HydrophobicContact CB-CG2 4.03Å; C1563-F1782 CarbonylContact C-O 3.5Å; C1563-F1782 WeakPolarHBondContact CA-O 3.25Å |
| 1564 | M | 95.2 | Very high | 89.6 | Confident | 31 Ų | 31 | 36.9 Ų | 36.9 | 15% | 0.153 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.8 | 164 | -170.7 | 71.2 | 69.8 | 0 | 0 | 108.7 | Q1617 K1619 F1782 T1784 | M1564-Q1617 HydrophobicContact CG-CG 3.96Å; M1564-Q1617 HydrophobicContact SD-CG 3.55Å; M1564-Q1617 VanDerWaalsContact SD-CG 3.55Å; M1564-K1619 HydrophobicContact CE-CD 4.34Å; M1564-K1619 HydrophobicContact CE-CG 3.81Å; M1564-K1619 HydrophobicContact SD-CG 3.84Å; M1564-F1782 HydrophobicContact CB-CB 4.35Å; M1564-F1782 PolarHBondContact N-O 2.84Å; M1564-F1782 PolarHBondContact O-N 3Å; M1564-T1784 HydrophobicContact CB-CG2 4.37Å |
| 1565 | L | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.6 | 174.5 | -61.5 | 174 | 0 | 0 | 0 | 109.8 | V1592 Q1617 M1618 C1620 L1651 D1780 I1781 | L1565-V1592 HydrophobicContact CD1-CB 4.42Å; L1565-V1592 HydrophobicContact CD1-CG1 4.08Å; L1565-V1592 HydrophobicContact CD1-CG2 3.97Å; L1565-Q1617 WeakPolarHBondContact O-CA 3.47Å; L1565-M1618 HydrophobicContact CB-CG 4.25Å; L1565-M1618 HydrophobicContact CD1-CG 4.47Å; L1565-M1618 PolarHBondContact N-O 2.74Å; L1565-M1618 PolarHBondContact O-N 2.78Å; L1565-C1620 HydrophobicContact CD1-CB 3.79Å; L1565-C1620 WeakPolarHBondContact CD1-SG 3.47Å; L1565-C1620 HydrophobicContact CG-CB 4.36Å; L1565-C1620 VanDerWaalsContact CG-SG 3.53Å; L1565-L1651 HydrophobicContact CD1-CD1 3.47Å; L1565-L1651 VanDerWaalsContact CD1-CD1 3.47Å; L1565-L1651 HydrophobicContact CD2-CD1 3.88Å; L1565-L1651 HydrophobicContact CD2-CD2 4.24Å; L1565-L1651 HydrophobicContact CG-CD1 4.32Å; L1565-D1780 WeakPolarHBondContact CA-O 3Å; L1565-I1781 HydrophobicContact CD2-CB 4.21Å; L1565-I1781 HydrophobicContact CD2-CG1 3.81Å; L1565-I1781 HydrophobicContact CD2-CG2 3.96Å |
| 1566 | R | 95.2 | Very high | 90.7 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113.4 | 164.1 | -65.8 | -176.6 | 177.4 | 154.8 | -5.6 | 108.7 | Y1568 M1615 F1616 Q1617 D1780 F1782 G1790 | R1566-Y1568 HydrophobicContact CB-CD2 4.27Å; R1566-Y1568 HydrophobicContact CB-CE2 3.57Å; R1566-Y1568 WeakPolarHBondContact CD-OH 3.39Å; R1566-M1615 HydrophobicContact CB-SD 4.38Å; R1566-M1615 HydrophobicContact CG-SD 4.25Å; R1566-F1616 WeakPolarHBondContact CA-O 3.21Å; R1566-Q1617 HydrophobicContact CG-CB 4.41Å; R1566-Q1617 HydrophobicContact CG-CG 4.1Å; R1566-D1780 HydrophobicContact CB-CB 4.32Å; R1566-D1780 PolarHBondContact N-O 2.77Å; R1566-D1780 PolarHBondContact O-N 3.32Å; R1566-F1782 HydrophobicContact CG-CE2 4.28Å; R1566-G1790 VanDerWaalsContact CZ-O 3.25Å; R1566-G1790 PolarHBondContact NH1-O 3.15Å; R1566-G1790 PolarHBondContact NH2-O 2.92Å |
| 1567 | V | 96.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.6 | 178.5 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | I1569 I1590 M1615 F1616 L1628 M1777 V1779 | V1567-I1569 HydrophobicContact CG1-CD1 3.71Å; V1567-I1569 HydrophobicContact CG1-CG1 4.3Å; V1567-I1590 HydrophobicContact CB-CD1 3.82Å; V1567-I1590 HydrophobicContact CG1-CD1 3.68Å; V1567-I1590 HydrophobicContact CG2-CD1 4.47Å; V1567-I1590 HydrophobicContact CG2-CG2 4.47Å; V1567-M1615 WeakPolarHBondContact O-CA 3.32Å; V1567-F1616 PolarHBondContact N-O 2.84Å; V1567-F1616 PolarHBondContact O-N 3.37Å; V1567-L1628 HydrophobicContact CG1-CD2 4.42Å; V1567-L1628 HydrophobicContact CG2-CD1 4.14Å; V1567-L1628 HydrophobicContact CG2-CD2 3.79Å; V1567-M1777 HydrophobicContact CG1-CE 3.7Å; V1567-V1779 HydrophobicContact CG1-CG2 4.31Å; V1567-V1779 HydrophobicContact CG2-CG1 4.35Å |
| 1568 | Y | 96.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 114 | -178.5 | -67 | -96 | 0 | 0 | 0 | 109 | R1566 M1615 M1777 W1778 P1792 F1793 I1795 | R1566-Y1568 HydrophobicContact CB-CD2 4.27Å; R1566-Y1568 HydrophobicContact CB-CE2 3.57Å; R1566-Y1568 WeakPolarHBondContact CD-OH 3.39Å; Y1568-M1615 HydrophobicContact CD1-CB 3.73Å; Y1568-M1615 HydrophobicContact CD1-CG 3.65Å; Y1568-M1615 HydrophobicContact CD2-CG 4.42Å; Y1568-M1615 HydrophobicContact CE1-CB 3.75Å; Y1568-M1615 HydrophobicContact CE1-CG 3.32Å; Y1568-M1615 HydrophobicContact CE2-CG 4.17Å; Y1568-M1615 HydrophobicContact CG-CB 4.47Å; Y1568-M1615 HydrophobicContact CG-CG 4.19Å; Y1568-M1777 WeakPolarHBondContact O-CA 3.43Å; Y1568-M1777 WeakPolarHBondContact O-CB 3.38Å; Y1568-W1778 AromaticContact CD1-CE2 3.97Å; Y1568-W1778 AromaticContact CD1-CH2 3.74Å; Y1568-W1778 HydrophobicContact CD1-CH2 3.74Å; Y1568-W1778 AromaticContact CD1-CZ2 3.3Å; Y1568-W1778 HydrophobicContact CD1-CZ2 3.3Å; Y1568-W1778 AromaticContact CD2-CD1 3.85Å; Y1568-W1778 HydrophobicContact CD2-CD2 4.11Å; Y1568-W1778 AromaticContact CD2-CE2 3.31Å; Y1568-W1778 HydrophobicContact CD2-CG 4.41Å; Y1568-W1778 AromaticContact CD2-CZ2 3.57Å; Y1568-W1778 HydrophobicContact CD2-CZ2 3.57Å; Y1568-W1778 AromaticContact CD2-NE1 3.11Å; Y1568-W1778 AromaticContact CE1-CZ2 3.87Å; Y1568-W1778 HydrophobicContact CE1-CZ2 3.87Å; Y1568-W1778 AromaticContact CE2-CE2 3.99Å; Y1568-W1778 HydrophobicContact CE2-CZ2 4.08Å; Y1568-W1778 AromaticContact CE2-NE1 3.55Å; Y1568-W1778 AromaticContact CG-CD2 3.99Å; Y1568-W1778 HydrophobicContact CG-CD2 3.99Å; Y1568-W1778 AromaticContact CG-CE2 3.29Å; Y1568-W1778 HydrophobicContact CG-CE3 4.43Å; Y1568-W1778 AromaticContact CG-CH2 3.71Å; Y1568-W1778 HydrophobicContact CG-CH2 3.71Å; Y1568-W1778 AromaticContact CG-CZ2 3.13Å; Y1568-W1778 HydrophobicContact CG-CZ2 3.13Å; Y1568-W1778 HydrophobicContact CG-CZ3 4.31Å; Y1568-W1778 AromaticContact CG-NE1 3.66Å; Y1568-W1778 PolarHBondContact N-O 2.82Å; Y1568-W1778 PolarHBondContact O-N 3.12Å; Y1568-W1778 VanDerWaalsContact O-N 3.08Å; Y1568-P1792 WeakPolarHBondContact OH-CA 3.42Å; Y1568-P1792 VanDerWaalsContact OH-CB 3.27Å; Y1568-P1792 WeakPolarHBondContact OH-CB 3.36Å; Y1568-F1793 HydrophobicContact CE1-CB 4.09Å; Y1568-F1793 PolarHBondContact OH-N 2.85Å; Y1568-I1795 HydrophobicContact CD1-CD1 3.8Å; Y1568-I1795 HydrophobicContact CD1-CG1 4.18Å; Y1568-I1795 HydrophobicContact CD1-CG2 4.32Å; Y1568-I1795 HydrophobicContact CG-CD1 4.45Å |
| 1569 | I | 96.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 112.3 | 178 | -49.5 | -62.6 | 0 | 0 | 0 | 108.2 | V1567 V1588 I1590 F1612 G1613 K1614 F1616 V1630 L1775 M1777 | V1567-I1569 HydrophobicContact CG1-CD1 3.71Å; V1567-I1569 HydrophobicContact CG1-CG1 4.3Å; I1569-V1588 HydrophobicContact CG1-CG1 4.21Å; I1569-V1588 HydrophobicContact CG2-CG2 3.98Å; I1569-I1590 HydrophobicContact CD1-CD1 4.39Å; I1569-I1590 HydrophobicContact CG1-CD1 4.14Å; I1569-F1612 HydrophobicContact CG2-CB 4.22Å; I1569-F1612 HydrophobicContact CG2-CD2 3.65Å; I1569-F1612 HydrophobicContact CG2-CE2 4.35Å; I1569-F1612 HydrophobicContact CG2-CG 4.2Å; I1569-G1613 PolarHBondContact O-N 2.87Å; I1569-K1614 PolarHBondContact N-O 2.84Å; I1569-K1614 PolarHBondContact O-N 3.25Å; I1569-F1616 HydrophobicContact CG1-CD2 4.28Å; I1569-F1616 HydrophobicContact CG1-CE2 4.06Å; I1569-V1630 HydrophobicContact CD1-CG1 3.9Å; I1569-L1775 HydrophobicContact CD1-CD2 4.33Å; I1569-L1775 HydrophobicContact CG2-CD1 3.77Å; I1569-L1775 HydrophobicContact CG2-CG 4.42Å; I1569-M1777 HydrophobicContact CD1-CB 3.82Å; I1569-M1777 HydrophobicContact CD1-CE 3.97Å; I1569-M1777 HydrophobicContact CD1-SD 3.99Å |
| 1570 | I | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -67.9 | -174.7 | -54 | 163.9 | 0 | 0 | 0 | 108.5 | W1462 W1463 F1466 F1612 G1613 V1757 Q1776 W1778 | W1462-I1570 HydrophobicContact CH2-CD1 3.79Å; W1462-I1570 HydrophobicContact CH2-CG1 3.81Å; W1462-I1570 HydrophobicContact CH2-CG2 4.16Å; W1462-I1570 HydrophobicContact CZ2-CD1 4.41Å; W1462-I1570 HydrophobicContact CZ3-CG2 4.26Å; W1463-I1570 HydrophobicContact CH2-CG2 3.67Å; W1463-I1570 HydrophobicContact CZ3-CG2 3.97Å; F1466-I1570 HydrophobicContact CE1-CG2 4.47Å; F1466-I1570 HydrophobicContact CE2-CD1 4.16Å; F1466-I1570 HydrophobicContact CZ-CG2 4.36Å; I1570-F1612 PolarHBondContact O-N 3.23Å; I1570-G1613 PolarHBondContact O-N 3.09Å; I1570-V1757 HydrophobicContact CD1-CB 4.06Å; I1570-V1757 HydrophobicContact CD1-CG1 3.31Å; I1570-V1757 HydrophobicContact CD1-CG2 3.53Å; I1570-Q1776 HydrophobicContact CB-CB 4.4Å; I1570-Q1776 WeakPolarHBondContact CB-O 3.43Å; I1570-Q1776 HydrophobicContact CD1-CB 4.27Å; I1570-Q1776 PolarHBondContact N-O 3.07Å; I1570-W1778 HydrophobicContact CD1-CE3 3.86Å; I1570-W1778 HydrophobicContact CD1-CZ3 3.61Å; I1570-W1778 HydrophobicContact CG1-CE3 4.07Å; I1570-W1778 HydrophobicContact CG1-CZ3 3.54Å |
| 1571 | R | 94.3 | Very high | 87.7 | Confident | 47 Ų | 47 | 25.8 Ų | 25.8 | 18% | 0.177 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 155.7 | -175.8 | 64.9 | -179.8 | 179.8 | 178.4 | 3 | 111.4 | I1573 P1610 E1611 Q1776 | R1571-I1573 HydrophobicContact CG-CG1 4.5Å; R1571-P1610 CarbonylContact C-O 3.59Å; R1571-P1610 WeakPolarHBondContact CA-O 3.44Å; R1571-P1610 WeakPolarHBondContact CB-O 2.99Å; R1571-E1611 HydrophobicContact CB-CG 4.25Å; R1571-Q1776 HydrophobicContact CG-CB 4.29Å; R1571-Q1776 PolarHBondContact O-N 2.92Å |
| 1572 | A | 93.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 156.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1575 N1609 P1610 F1612 K1774 L1775 | A1572-L1575 HydrophobicContact CB-CD1 3.86Å; A1572-L1575 HydrophobicContact CB-CD2 3.64Å; A1572-L1575 HydrophobicContact CB-CG 3.7Å; A1572-N1609 CarbonylContact O-C 3.57Å; A1572-N1609 WeakPolarHBondContact O-CA 3.07Å; A1572-P1610 HydrophobicContact CB-CG 3.81Å; A1572-P1610 PolarHBondContact N-O 3Å; A1572-F1612 HydrophobicContact CB-CE2 3.94Å; A1572-K1774 CarbonylContact C-O 3.55Å; A1572-K1774 WeakPolarHBondContact CA-O 3.14Å; A1572-K1774 WeakPolarHBondContact CB-O 3.34Å; A1572-L1775 HydrophobicContact CB-CD1 3.92Å |
| 1573 | I | 88.3 | Confident | 85.8 | Confident | 39 Ų | 39 | 20.2 Ų | 20.2 | 20% | 0.2 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132 | -175.8 | -53.1 | 170.5 | 0 | 0 | 0 | 107.4 | R1571 L1575 N1609 K1774 Q1776 | R1571-I1573 HydrophobicContact CG-CG1 4.5Å; I1573-L1575 VanDerWaalsContact C-N 3.32Å; I1573-L1575 PolarHBondContact O-N 3.22Å; I1573-N1609 WeakPolarHBondContact CA-OD1 3.33Å; I1573-K1774 HydrophobicContact CB-CB 4.45Å; I1573-K1774 PolarHBondContact N-O 2.79Å; I1573-K1774 PolarHBondContact O-N 2.96Å; I1573-Q1776 HydrophobicContact CD1-CG 4.01Å |
| 1574 | D | 83.5 | Confident | 85.3 | Confident | 79 Ų | 79 | 20.2 Ų | 20.2 | 42% | 0.422 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 50.1 | 46.6 | 176.1 | -55.5 | -31.5 | 0 | 0 | 0 | 113.8 | L1608 N1609 G1773 | D1574-L1608 PolarHBondContact N-O 2.99Å; D1574-N1609 PolarHBondContact N-OD1 3.28Å; D1574-G1773 WeakPolarHBondContact O-CA 3.43Å |
| 1575 | L | 86.9 | Confident | 85 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -56.4 | 152 | 174.1 | -69.9 | -178.6 | 0 | 0 | 0 | 111.6 | A1572 I1573 P1577 P1586 L1608 P1610 V1632 I1644 L1762 | A1572-L1575 HydrophobicContact CB-CD1 3.86Å; A1572-L1575 HydrophobicContact CB-CD2 3.64Å; A1572-L1575 HydrophobicContact CB-CG 3.7Å; I1573-L1575 VanDerWaalsContact C-N 3.32Å; I1573-L1575 PolarHBondContact O-N 3.22Å; L1575-P1577 WeakPolarHBondContact O-CD 3.15Å; L1575-P1586 HydrophobicContact CD1-CB 3.76Å; L1575-P1586 HydrophobicContact CD1-CG 4.11Å; L1575-L1608 HydrophobicContact CB-CB 4.37Å; L1575-L1608 HydrophobicContact CB-CD2 4.44Å; L1575-L1608 WeakPolarHBondContact CB-O 3.47Å; L1575-L1608 WeakPolarHBondContact CG-O 3.3Å; L1575-L1608 PolarHBondContact N-O 2.91Å; L1575-L1608 WeakPolarHBondContact O-CD2 3.38Å; L1575-P1610 HydrophobicContact CD1-CG 3.68Å; L1575-V1632 HydrophobicContact CD1-CG1 3.78Å; L1575-V1632 HydrophobicContact CD2-CG1 4.21Å; L1575-I1644 HydrophobicContact CB-CG2 4.17Å; L1575-I1644 HydrophobicContact CD1-CD1 4.35Å; L1575-I1644 HydrophobicContact CD2-CG2 4.18Å; L1575-L1762 HydrophobicContact CD2-CD1 3.57Å | ||
| 1576 | Q | 79.4 | Confident | 84.9 | Confident | 14 Ų | 14 | 19.5 Ų | 19.5 | 7% | 0.065 | 11% | 0.112 | C | C | . | . | trans | -65.2 | 126.5 | 170.5 | 175.6 | 69.5 | 40.8 | 0 | 0 | 110.9 | Q204 S1578 I1644 Q1772 | Q204-Q1576 VanDerWaalsContact CD-OE1 3.3Å; Q204-Q1576 VanDerWaalsContact NE2-CD 3.28Å; Q1576-S1578 PolarHBondContact O-N 3.45Å; Q1576-I1644 HydrophobicContact CB-CG2 3.81Å; Q1576-Q1772 HydrophobicContact CB-CB 4.06Å; Q1576-Q1772 VanDerWaalsContact CG-OE1 3.23Å; Q1576-Q1772 PolarHBondContact N-O 3.15Å | ||
| 1577 | P | 78 | Confident | 84.9 | Confident | 20 Ų | 20 | 19.2 Ų | 19.2 | 13% | 0.13 | 11% | 0.111 | C | C | . | . | trans | -44.9 | 123 | 159.8 | -40.3 | 44.9 | 0 | 0 | 0 | 113.9 | D202 N253 L1575 G1582 L1608 | D202-P1577 HydrophobicContact CB-CB 4.49Å; D202-P1577 HydrophobicContact CB-CG 4.03Å; N253-P1577 HydrophobicContact CB-CG 4.42Å; L1575-P1577 WeakPolarHBondContact O-CD 3.15Å; P1577-G1582 WeakPolarHBondContact CA-O 2.88Å; P1577-G1582 WeakPolarHBondContact CB-O 3.39Å; P1577-G1582 VanDerWaalsContact CG-O 3.25Å; P1577-G1582 WeakPolarHBondContact CG-O 3Å; P1577-L1608 HydrophobicContact CG-CD1 4.03Å; P1577-L1608 HydrophobicContact CG-CD2 4.24Å | ||
| 1578 | S | 78.7 | Confident | 84.9 | Confident | 35 Ų | 35 | 19.3 Ų | 19.3 | 25% | 0.245 | 11% | 0.111 | C | C | . | . | trans | -123.1 | -19.4 | 176.3 | -84.8 | 0 | 0 | 0 | 0 | 112.9 | Q1576 L1583 D1634 | Q1576-S1578 PolarHBondContact O-N 3.45Å; S1578-L1583 PolarHBondContact N-O 3.44Å; S1578-L1583 VanDerWaalsContact N-O 3.11Å; S1578-D1634 WeakPolarHBondContact CB-OD2 3.38Å | ||
| 1579 | D | 75.6 | Confident | 84.8 | Confident | 26 Ų | 26 | 19.6 Ų | 19.6 | 14% | 0.139 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -94.4 | 165.3 | -175.3 | -109.5 | -42.1 | 0 | 0 | 0 | 114.8 | S1581 G1582 L1583 D1634 | D1579-S1581 PolarHBondContact O-N 2.7Å; D1579-G1582 VanDerWaalsContact O-CA 3.24Å; D1579-G1582 WeakPolarHBondContact O-CA 3.47Å; D1579-G1582 PolarHBondContact O-N 2.74Å; D1579-L1583 WeakPolarHBondContact CB-O 2.91Å; D1579-L1583 PolarHBondContact N-O 2.83Å; D1579-D1634 PolarHBondContact N-OD2 3Å |
| 1580 | S | 66.9 | Low | 84.7 | Confident | 86 Ų | 86 | 19.6 Ų | 19.6 | 60% | 0.601 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.7 | 167.7 | 70.2 | 0 | 0 | 0 | 0 | 114.9 | P330 G1582 | P330-S1580 WeakPolarHBondContact CB-O 3.41Å; P330-S1580 WeakPolarHBondContact CG-O 3.35Å; S1580-G1582 VanDerWaalsContact C-N 3.26Å |
| 1581 | S | 66.3 | Low | 84.8 | Confident | 23 Ų | 23 | 21.4 Ų | 21.4 | 16% | 0.161 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.3 | 161.5 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | Q201 D202 D1579 L1583 N1606 | Q201-S1581 CarbonylContact C-O 3.51Å; Q201-S1581 VanDerWaalsContact C-O 3.27Å; Q201-S1581 WeakPolarHBondContact CA-O 3.37Å; D202-S1581 PolarHBondContact N-O 2.58Å; D1579-S1581 PolarHBondContact O-N 2.7Å; S1581-L1583 PolarHBondContact O-N 3.24Å; S1581-L1583 PolarHBondContact OG-N 2.95Å; S1581-L1583 VanDerWaalsContact OG-N 3.16Å; S1581-N1606 PolarHBondContact OG-OD1 3.28Å |
| 1582 | G | 66.1 | Low | 84.7 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 74.9 | -17.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D202 P1577 D1579 S1580 | D202-G1582 WeakPolarHBondContact CB-O 3.45Å; P1577-G1582 WeakPolarHBondContact CA-O 2.88Å; P1577-G1582 WeakPolarHBondContact CB-O 3.39Å; P1577-G1582 VanDerWaalsContact CG-O 3.25Å; P1577-G1582 WeakPolarHBondContact CG-O 3Å; D1579-G1582 VanDerWaalsContact O-CA 3.24Å; D1579-G1582 WeakPolarHBondContact O-CA 3.47Å; D1579-G1582 PolarHBondContact O-N 2.74Å; S1580-G1582 VanDerWaalsContact C-N 3.26Å |
| 1583 | L | 80 | Confident | 84.4 | Confident | 11 Ų | 11 | 20.7 Ų | 20.7 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -72.1 | -159.2 | 174.3 | -65.3 | 159.6 | 0 | 0 | 0 | 109.5 | D202 F255 S1578 D1579 S1581 N1606 L1608 | D202-L1583 WeakPolarHBondContact OD1-CD2 3.35Å; D202-L1583 WeakPolarHBondContact OD1-CG 3.44Å; D202-L1583 WeakPolarHBondContact OD2-CA 3.33Å; D202-L1583 WeakPolarHBondContact OD2-CD2 3.41Å; D202-L1583 WeakPolarHBondContact OD2-CG 3.29Å; D202-L1583 PolarHBondContact OD2-N 2.79Å; D202-L1583 VanDerWaalsContact OD2-N 3.17Å; F255-L1583 HydrophobicContact CB-CD2 4.26Å; F255-L1583 HydrophobicContact CD1-CD1 4.48Å; F255-L1583 HydrophobicContact CD1-CD2 4.49Å; F255-L1583 HydrophobicContact CD2-CD1 3.98Å; F255-L1583 HydrophobicContact CD2-CD2 4.19Å; F255-L1583 HydrophobicContact CD2-CG 4.03Å; F255-L1583 HydrophobicContact CE1-CD1 4.17Å; F255-L1583 HydrophobicContact CE2-CD1 3.57Å; F255-L1583 HydrophobicContact CE2-CG 4.07Å; F255-L1583 HydrophobicContact CG-CD1 4.37Å; F255-L1583 HydrophobicContact CG-CD2 4.07Å; F255-L1583 HydrophobicContact CG-CG 4.41Å; F255-L1583 HydrophobicContact CZ-CD1 3.68Å; S1578-L1583 PolarHBondContact N-O 3.44Å; S1578-L1583 VanDerWaalsContact N-O 3.11Å; D1579-L1583 WeakPolarHBondContact CB-O 2.91Å; D1579-L1583 PolarHBondContact N-O 2.83Å; S1581-L1583 PolarHBondContact O-N 3.24Å; S1581-L1583 PolarHBondContact OG-N 2.95Å; S1581-L1583 VanDerWaalsContact OG-N 3.16Å; L1583-N1606 HydrophobicContact CB-CB 4.3Å; L1583-N1606 HydrophobicContact CD1-CB 3.56Å; L1583-L1608 HydrophobicContact CD2-CG 4.19Å |
| 1584 | A | 84.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -138.6 | 162.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | P1586 N1606 T1607 L1608 D1634 I1644 | A1584-P1586 WeakPolarHBondContact O-CD 3.3Å; A1584-N1606 CarbonylContact O-C 3.55Å; A1584-N1606 VanDerWaalsContact O-CA 3.26Å; A1584-N1606 WeakPolarHBondContact O-CA 3.11Å; A1584-N1606 PolarHBondContact O-N 2.83Å; A1584-N1606 VanDerWaalsContact O-N 3.07Å; A1584-T1607 PolarHBondContact O-N 3.4Å; A1584-L1608 HydrophobicContact CB-CD2 4.4Å; A1584-D1634 HydrophobicContact CB-CB 4.49Å; A1584-I1644 HydrophobicContact CB-CD1 3.61Å | ||
| 1585 | D | 88.9 | Confident | 84.4 | Confident | 16 Ų | 16 | 27.5 Ų | 27.5 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | trans | -101.5 | 60.5 | 166.3 | -72 | -18.9 | 0 | 0 | 0 | 109.7 | Y1603 L1604 P1605 N1606 D1634 Y1635 | D1585-Y1603 HydrophobicContact CB-CD2 3.71Å; D1585-Y1603 HydrophobicContact CB-CE2 4.03Å; D1585-L1604 CarbonylContact C-O 3.58Å; D1585-L1604 WeakPolarHBondContact CA-O 3.36Å; D1585-P1605 WeakPolarHBondContact OD1-CA 3.35Å; D1585-N1606 PolarHBondContact OD1-N 2.92Å; D1585-N1606 PolarHBondContact OD1-ND2 2.96Å; D1585-D1634 WeakPolarHBondContact CA-OD1 3.21Å; D1585-D1634 WeakPolarHBondContact CB-OD1 3.39Å; D1585-D1634 PolarHBondContact N-OD1 3.29Å; D1585-Y1635 PolarHBondContact O-N 2.84Å; D1585-Y1635 VanDerWaalsContact O-N 3.15Å | ||
| 1586 | P | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 139.1 | -165.9 | 27.4 | -39.4 | 0 | 0 | 0 | 113.6 | L1575 A1584 L1604 T1607 P1610 F1612 V1632 K1633 I1644 | L1575-P1586 HydrophobicContact CD1-CB 3.76Å; L1575-P1586 HydrophobicContact CD1-CG 4.11Å; A1584-P1586 WeakPolarHBondContact O-CD 3.3Å; P1586-L1604 WeakPolarHBondContact CD-O 3.21Å; P1586-L1604 HydrophobicContact CG-CB 4.49Å; P1586-L1604 PolarHBondContact O-N 2.88Å; P1586-T1607 WeakPolarHBondContact CD-O 3.25Å; P1586-T1607 HydrophobicContact CG-CG2 3.93Å; P1586-T1607 WeakPolarHBondContact CG-O 2.94Å; P1586-P1610 HydrophobicContact CB-CB 4.47Å; P1586-P1610 HydrophobicContact CB-CG 4.05Å; P1586-P1610 HydrophobicContact CG-CB 3.68Å; P1586-P1610 HydrophobicContact CG-CG 3.58Å; P1586-F1612 HydrophobicContact CB-CE1 4.31Å; P1586-F1612 HydrophobicContact CB-CZ 4.1Å; P1586-V1632 HydrophobicContact CB-CG1 4.04Å; P1586-K1633 CarbonylContact C-O 3.45Å; P1586-K1633 VanDerWaalsContact CA-O 3.25Å; P1586-K1633 WeakPolarHBondContact CA-O 3.19Å; P1586-I1644 HydrophobicContact CB-CD1 4.27Å |
| 1587 | Y | 95.1 | Very high | 85.2 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159 | 163.3 | 72.8 | -88.2 | 0 | 0 | 0 | 110.6 | E1589 N1598 K1600 K1633 D1641 | Y1587-E1589 HydrophobicContact CE2-CB 4.38Å; Y1587-N1598 HydrophobicContact CD2-CB 4.18Å; Y1587-N1598 HydrophobicContact CE2-CB 4.01Å; Y1587-K1600 HydrophobicContact CD1-CB 4.48Å; Y1587-K1600 HydrophobicContact CD2-CB 3.89Å; Y1587-K1600 HydrophobicContact CE1-CB 4.42Å; Y1587-K1600 HydrophobicContact CE1-CD 4.46Å; Y1587-K1600 HydrophobicContact CE1-CG 4.27Å; Y1587-K1600 HydrophobicContact CE2-CB 3.85Å; Y1587-K1600 HydrophobicContact CE2-CG 4.48Å; Y1587-K1600 HydrophobicContact CG-CB 4.2Å; Y1587-K1633 HydrophobicContact CD1-CB 4.15Å; Y1587-K1633 WeakPolarHBondContact CD1-O 3.22Å; Y1587-K1633 HydrophobicContact CE1-CB 3.59Å; Y1587-K1633 HydrophobicContact CE2-CB 4.01Å; Y1587-K1633 HydrophobicContact CE2-CD 4.16Å; Y1587-K1633 PolarHBondContact N-O 3.14Å; Y1587-K1633 PolarHBondContact O-N 3.23Å; Y1587-K1633 VanDerWaalsContact OH-CD 3.32Å; Y1587-K1633 WeakPolarHBondContact OH-CD 3.08Å; Y1587-D1641 HydrophobicContact CE1-CB 4.33Å; Y1587-D1641 WeakPolarHBondContact CE1-OD2 3.21Å; Y1587-D1641 VanDerWaalsContact CZ-OD2 3.24Å; Y1587-D1641 PolarHBondContact OH-OD2 2.94Å |
| 1588 | V | 94.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 136.8 | -179.1 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | I1569 I1590 N1598 S1599 F1612 V1630 I1631 | I1569-V1588 HydrophobicContact CG1-CG1 4.21Å; I1569-V1588 HydrophobicContact CG2-CG2 3.98Å; V1588-I1590 HydrophobicContact CG1-CD1 4.48Å; V1588-I1590 HydrophobicContact CG1-CG1 3.92Å; V1588-N1598 CarbonylContact O-C 3.59Å; V1588-N1598 VanDerWaalsContact O-CA 3.23Å; V1588-N1598 WeakPolarHBondContact O-CA 3.1Å; V1588-S1599 PolarHBondContact N-OG 3.06Å; V1588-S1599 PolarHBondContact O-N 3.33Å; V1588-F1612 HydrophobicContact CG2-CD1 3.72Å; V1588-F1612 HydrophobicContact CG2-CD2 3.77Å; V1588-F1612 HydrophobicContact CG2-CE1 3.6Å; V1588-F1612 HydrophobicContact CG2-CE2 3.62Å; V1588-F1612 HydrophobicContact CG2-CG 3.79Å; V1588-F1612 HydrophobicContact CG2-CZ 3.52Å; V1588-V1630 HydrophobicContact CG1-CG1 4Å; V1588-I1631 WeakPolarHBondContact CA-O 3.42Å |
| 1589 | E | 95.3 | Very high | 86.3 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.4 | 170.3 | 179.2 | 167.5 | 103.1 | 0 | 0 | 108.8 | Y1587 I1591 K1596 N1598 I1631 K1633 | Y1587-E1589 HydrophobicContact CE2-CB 4.38Å; E1589-I1591 HydrophobicContact CG-CD1 4.36Å; E1589-I1591 HydrophobicContact CG-CG1 4.14Å; E1589-K1596 VanDerWaalsContact OE1-CE 3.26Å; E1589-K1596 WeakPolarHBondContact OE1-CE 3.16Å; E1589-K1596 IonicContact OE1-NZ 3.54Å; E1589-K1596 PolarHBondContact OE1-NZ 2.79Å; E1589-K1596 WeakPolarHBondContact OE2-CE 3.09Å; E1589-K1596 IonicContact OE2-NZ 3.53Å; E1589-K1596 PolarHBondContact OE2-NZ 3.19Å; E1589-N1598 HydrophobicContact CB-CB 4.04Å; E1589-N1598 HydrophobicContact CG-CB 4.18Å; E1589-I1631 HydrophobicContact CB-CB 4.36Å; E1589-I1631 PolarHBondContact N-O 3.02Å; E1589-I1631 PolarHBondContact O-N 3.1Å; E1589-K1633 HydrophobicContact CB-CD 4.5Å; E1589-K1633 WeakPolarHBondContact OE1-CE 3.23Å; E1589-K1633 IonicContact OE1-NZ 2.74Å; E1589-K1633 PolarHBondContact OE1-NZ 2.9Å; E1589-K1633 IonicContact OE2-NZ 3.58Å |
| 1590 | I | 95.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.5 | 180 | -57.3 | -174.2 | 0 | 0 | 0 | 108.3 | V1567 I1569 V1588 K1596 V1597 F1616 M1618 L1628 H1629 | V1567-I1590 HydrophobicContact CB-CD1 3.82Å; V1567-I1590 HydrophobicContact CG1-CD1 3.68Å; V1567-I1590 HydrophobicContact CG2-CD1 4.47Å; V1567-I1590 HydrophobicContact CG2-CG2 4.47Å; I1569-I1590 HydrophobicContact CD1-CD1 4.39Å; I1569-I1590 HydrophobicContact CG1-CD1 4.14Å; V1588-I1590 HydrophobicContact CG1-CD1 4.48Å; V1588-I1590 HydrophobicContact CG1-CG1 3.92Å; I1590-K1596 WeakPolarHBondContact O-CA 3.13Å; I1590-V1597 PolarHBondContact N-O 2.82Å; I1590-V1597 PolarHBondContact O-N 2.97Å; I1590-F1616 HydrophobicContact CD1-CB 3.83Å; I1590-F1616 HydrophobicContact CD1-CD1 4.32Å; I1590-F1616 HydrophobicContact CD1-CD2 3.21Å; I1590-F1616 HydrophobicContact CD1-CE2 3.72Å; I1590-F1616 HydrophobicContact CD1-CG 3.54Å; I1590-F1616 HydrophobicContact CD1-CZ 4.44Å; I1590-F1616 HydrophobicContact CG1-CD2 4.3Å; I1590-F1616 HydrophobicContact CG1-CE2 4.47Å; I1590-F1616 HydrophobicContact CG1-CG 4.48Å; I1590-M1618 HydrophobicContact CB-CE 4.16Å; I1590-M1618 HydrophobicContact CG2-CE 3.72Å; I1590-M1618 HydrophobicContact CG2-SD 4.15Å; I1590-L1628 HydrophobicContact CG2-CD1 3.47Å; I1590-L1628 VanDerWaalsContact CG2-CD1 3.47Å; I1590-H1629 WeakPolarHBondContact CA-O 3.34Å |
| 1591 | I | 94.8 | Very high | 87.7 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 20% | 0.2 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.6 | -179.9 | -47.9 | 178.7 | 0 | 0 | 0 | 108.9 | E1589 H1595 K1596 H1629 I1631 | E1589-I1591 HydrophobicContact CG-CD1 4.36Å; E1589-I1591 HydrophobicContact CG-CG1 4.14Å; I1591-H1595 WeakPolarHBondContact CA-O 3.49Å; I1591-K1596 HydrophobicContact CD1-CD 4.43Å; I1591-K1596 HydrophobicContact CG1-CG 4.2Å; I1591-H1629 HydrophobicContact CB-CB 4.18Å; I1591-H1629 PolarHBondContact N-O 3.28Å; I1591-H1629 PolarHBondContact O-N 3.15Å; I1591-I1631 HydrophobicContact CD1-CD1 3.77Å; I1591-I1631 HydrophobicContact CG1-CD1 4.45Å |
| 1592 | V | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 116.5 | 169.4 | 66.2 | 0 | 0 | 0 | 0 | 108.3 | L1565 Q1594 H1595 M1618 C1620 E1625 L1628 L1651 | L1565-V1592 HydrophobicContact CD1-CB 4.42Å; L1565-V1592 HydrophobicContact CD1-CG1 4.08Å; L1565-V1592 HydrophobicContact CD1-CG2 3.97Å; V1592-Q1594 PolarHBondContact O-N 3Å; V1592-Q1594 VanDerWaalsContact O-N 3.17Å; V1592-H1595 HydrophobicContact CG1-CB 4.07Å; V1592-H1595 PolarHBondContact N-O 3.37Å; V1592-H1595 WeakPolarHBondContact O-CB 3.42Å; V1592-H1595 PolarHBondContact O-N 3.35Å; V1592-M1618 HydrophobicContact CB-SD 4.45Å; V1592-M1618 HydrophobicContact CG1-CG 3.87Å; V1592-M1618 HydrophobicContact CG1-SD 3.32Å; V1592-M1618 WeakPolarHBondContact CG1-SD 3.22Å; V1592-C1620 HydrophobicContact CG1-CB 4.35Å; V1592-C1620 HydrophobicContact CG2-CB 3.87Å; V1592-E1625 HydrophobicContact CG2-CB 4.2Å; V1592-E1625 VanDerWaalsContact CG2-O 3.26Å; V1592-E1625 WeakPolarHBondContact CG2-O 3.39Å; V1592-L1628 HydrophobicContact CB-CD1 4.16Å; V1592-L1651 HydrophobicContact CG2-CD1 3.98Å |
| 1593 | G | 87.5 | Confident | 89.5 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 33% | 0.33 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -120 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1625 | G1593-E1625 WeakPolarHBondContact CA-OE1 3.45Š|
| 1594 | Q | 84 | Confident | 89.8 | Confident | 177 Ų | 177 | 49 Ų | 49 | 83% | 0.827 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -5.6 | 175 | -60 | -58.5 | -67.7 | 0 | 0 | 113.8 | V1592 E1625 | V1592-Q1594 PolarHBondContact O-N 3Å; V1592-Q1594 VanDerWaalsContact O-N 3.17Å; Q1594-E1625 PolarHBondContact N-OE1 3.12Å |
| 1595 | H | 88.1 | Confident | 89.7 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 39% | 0.394 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.2 | 178.1 | -68.2 | -76.3 | 0 | 0 | 0 | 110 | I1591 V1592 M1618 K1619 | I1591-H1595 WeakPolarHBondContact CA-O 3.49Å; V1592-H1595 HydrophobicContact CG1-CB 4.07Å; V1592-H1595 PolarHBondContact N-O 3.37Å; V1592-H1595 WeakPolarHBondContact O-CB 3.42Å; V1592-H1595 PolarHBondContact O-N 3.35Å; H1595-M1618 HydrophobicContact CB-SD 4.39Å; H1595-K1619 PolarHBondContact CD2-O 3.38Å; H1595-K1619 PolarHBondContact NE2-O 3.12Å |
| 1596 | K | 91.5 | Very high | 89.3 | Confident | 116 Ų | 116 | 51.5 Ų | 51.5 | 50% | 0.504 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 118.7 | 176.8 | 177 | 171.7 | -179 | 165.8 | 0 | 108.5 | E1589 I1590 I1591 | E1589-K1596 VanDerWaalsContact OE1-CE 3.26Å; E1589-K1596 WeakPolarHBondContact OE1-CE 3.16Å; E1589-K1596 IonicContact OE1-NZ 3.54Å; E1589-K1596 PolarHBondContact OE1-NZ 2.79Å; E1589-K1596 WeakPolarHBondContact OE2-CE 3.09Å; E1589-K1596 IonicContact OE2-NZ 3.53Å; E1589-K1596 PolarHBondContact OE2-NZ 3.19Å; I1590-K1596 WeakPolarHBondContact O-CA 3.13Å; I1591-K1596 HydrophobicContact CD1-CD 4.43Å; I1591-K1596 HydrophobicContact CG1-CG 4.2Å |
| 1597 | V | 91.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136 | 177.5 | -169 | 0 | 0 | 0 | 0 | 107.7 | I1590 F1616 M1618 | I1590-V1597 PolarHBondContact N-O 2.82Å; I1590-V1597 PolarHBondContact O-N 2.97Å; V1597-F1616 HydrophobicContact CB-CD1 4.22Å; V1597-F1616 HydrophobicContact CG1-CD1 3.75Å; V1597-F1616 HydrophobicContact CG1-CE1 4.09Å; V1597-M1618 HydrophobicContact CB-CE 4.42Å; V1597-M1618 HydrophobicContact CG2-CE 4.1Å |
| 1598 | N | 90.5 | Very high | 88.3 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 166 | 174.9 | 65.8 | 45.7 | 0 | 0 | 0 | 110.5 | Y1587 V1588 E1589 K1600 | Y1587-N1598 HydrophobicContact CD2-CB 4.18Å; Y1587-N1598 HydrophobicContact CE2-CB 4.01Å; V1588-N1598 CarbonylContact O-C 3.59Å; V1588-N1598 VanDerWaalsContact O-CA 3.23Å; V1588-N1598 WeakPolarHBondContact O-CA 3.1Å; E1589-N1598 HydrophobicContact CB-CB 4.04Å; E1589-N1598 HydrophobicContact CG-CB 4.18Å; N1598-K1600 WeakPolarHBondContact OD1-CB 3.43Å; N1598-K1600 PolarHBondContact OD1-N 2.82Å |
| 1599 | S | 89.7 | Confident | 87.9 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -109.1 | 29.9 | 173.8 | 73.4 | 0 | 0 | 0 | 0 | 112.7 | V1588 D1601 K1602 Y1603 | V1588-S1599 PolarHBondContact N-OG 3.06Å; V1588-S1599 PolarHBondContact O-N 3.33Å; S1599-D1601 VanDerWaalsContact C-N 3.29Å; S1599-D1601 PolarHBondContact O-N 2.88Å; S1599-K1602 CarbonylContact O-C 3.55Å; S1599-K1602 PolarHBondContact O-N 2.8Å; S1599-Y1603 PolarHBondContact O-N 2.99Å | ||
| 1600 | K | 88.1 | Confident | 87.8 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 30% | 0.3 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -61.9 | -34.5 | -173.3 | 178.1 | 170.9 | 171.6 | 146.7 | 0 | 112.6 | Y1587 N1598 K1602 Y1603 Y1635 D1641 | Y1587-K1600 HydrophobicContact CD1-CB 4.48Å; Y1587-K1600 HydrophobicContact CD2-CB 3.89Å; Y1587-K1600 HydrophobicContact CE1-CB 4.42Å; Y1587-K1600 HydrophobicContact CE1-CD 4.46Å; Y1587-K1600 HydrophobicContact CE1-CG 4.27Å; Y1587-K1600 HydrophobicContact CE2-CB 3.85Å; Y1587-K1600 HydrophobicContact CE2-CG 4.48Å; Y1587-K1600 HydrophobicContact CG-CB 4.2Å; N1598-K1600 WeakPolarHBondContact OD1-CB 3.43Å; N1598-K1600 PolarHBondContact OD1-N 2.82Å; K1600-K1602 PolarHBondContact O-N 2.79Å; K1600-K1602 VanDerWaalsContact O-N 3.16Å; K1600-Y1603 WeakPolarHBondContact O-CD1 3.21Å; K1600-Y1603 PolarHBondContact O-N 3.08Å; K1600-Y1635 HydrophobicContact CD-CD2 4.32Å; K1600-Y1635 VanDerWaalsContact CE-CD2 3.5Å; K1600-Y1635 VanDerWaalsContact CE-CE2 3.47Å; K1600-Y1635 HydrophobicContact CG-CD2 4.08Å; K1600-Y1635 HydrophobicContact CG-CE2 4.5Å; K1600-D1641 WeakPolarHBondContact CD-OD2 3.45Å; K1600-D1641 WeakPolarHBondContact CE-OD2 3.38Å; K1600-D1641 IonicContact NZ-OD1 3.22Å; K1600-D1641 PolarHBondContact NZ-OD1 2.74Å; K1600-D1641 IonicContact NZ-OD2 3.1Å; K1600-D1641 PolarHBondContact NZ-OD2 3.01Å |
| 1601 | D | 84.1 | Confident | 87.4 | Confident | 127 Ų | 127 | 59.2 Ų | 59.2 | 68% | 0.679 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -63.4 | -17.1 | 175.3 | 67.1 | -40.6 | 0 | 0 | 0 | 113.8 | S1599 | S1599-D1601 VanDerWaalsContact C-N 3.29Å; S1599-D1601 PolarHBondContact O-N 2.88Å |
| 1602 | K | 82.2 | Confident | 87.3 | Confident | 134 Ų | 134 | 57.7 Ų | 57.7 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -135.4 | 48.5 | -179 | -63.9 | 178.7 | -173.6 | -175.8 | 0 | 109.7 | S1599 K1600 K1614 | S1599-K1602 CarbonylContact O-C 3.55Å; S1599-K1602 PolarHBondContact O-N 2.8Å; K1600-K1602 PolarHBondContact O-N 2.79Å; K1600-K1602 VanDerWaalsContact O-N 3.16Å; K1602-K1614 VanDerWaalsContact CB-NZ 3.26Å; K1602-K1614 PolarHBondContact O-NZ 3.09Å |
| 1603 | Y | 87.5 | Confident | 87.2 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | trans | -60.7 | 155.9 | 169.7 | 71 | -87.9 | 0 | 0 | 0 | 110.3 | D1585 S1599 K1600 P1605 Y1635 D1887 | D1585-Y1603 HydrophobicContact CB-CD2 3.71Å; D1585-Y1603 HydrophobicContact CB-CE2 4.03Å; S1599-Y1603 PolarHBondContact O-N 2.99Å; K1600-Y1603 WeakPolarHBondContact O-CD1 3.21Å; K1600-Y1603 PolarHBondContact O-N 3.08Å; Y1603-P1605 HydrophobicContact CD2-CB 4.38Å; Y1603-P1605 HydrophobicContact CE2-CB 3.96Å; Y1603-P1605 WeakPolarHBondContact O-CD 3.46Å; Y1603-Y1635 AromaticContact CD1-CD1 3.72Å; Y1603-Y1635 HydrophobicContact CD1-CD1 3.72Å; Y1603-Y1635 HydrophobicContact CD1-CE1 4.16Å; Y1603-Y1635 AromaticContact CD1-CG 3.92Å; Y1603-Y1635 HydrophobicContact CD1-CG 3.92Å; Y1603-Y1635 AromaticContact CD2-CD1 3.94Å; Y1603-Y1635 HydrophobicContact CD2-CD1 3.94Å; Y1603-Y1635 HydrophobicContact CD2-CG 4.35Å; Y1603-Y1635 AromaticContact CE1-CD1 3.46Å; Y1603-Y1635 HydrophobicContact CE1-CD1 3.46Å; Y1603-Y1635 VanDerWaalsContact CE1-CD1 3.46Å; Y1603-Y1635 AromaticContact CE1-CE1 3.51Å; Y1603-Y1635 HydrophobicContact CE1-CE1 3.51Å; Y1603-Y1635 HydrophobicContact CE1-CG 4.12Å; Y1603-Y1635 AromaticContact CE2-CD1 3.66Å; Y1603-Y1635 HydrophobicContact CE2-CD1 3.66Å; Y1603-Y1635 HydrophobicContact CE2-CE1 4.26Å; Y1603-Y1635 AromaticContact CG-CD1 3.95Å; Y1603-Y1635 HydrophobicContact CG-CD1 3.95Å; Y1603-Y1635 HydrophobicContact CG-CG 4.04Å; Y1603-Y1635 AromaticContact CZ-CD1 3.41Å; Y1603-Y1635 VanDerWaalsContact CZ-CD1 3.41Å; Y1603-Y1635 AromaticContact CZ-CE1 3.55Å; Y1603-D1887 PolarHBondContact OH-OD1 3.44Å; Y1603-D1887 PolarHBondContact OH-OD2 3.02Å | ||
| 1604 | L | 85.6 | Confident | 87.4 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | trans | -104.6 | 106.3 | -179.6 | -68.3 | 174 | 0 | 0 | 0 | 108.4 | D1585 P1586 T1607 P1610 F1612 | D1585-L1604 CarbonylContact C-O 3.58Å; D1585-L1604 WeakPolarHBondContact CA-O 3.36Å; P1586-L1604 WeakPolarHBondContact CD-O 3.21Å; P1586-L1604 HydrophobicContact CG-CB 4.49Å; P1586-L1604 PolarHBondContact O-N 2.88Å; L1604-T1607 HydrophobicContact CB-CG2 3.97Å; L1604-P1610 HydrophobicContact CB-CB 4.35Å; L1604-P1610 HydrophobicContact CD1-CB 3.5Å; L1604-P1610 VanDerWaalsContact CD1-CB 3.5Å; L1604-F1612 HydrophobicContact CD1-CD1 3.83Å; L1604-F1612 HydrophobicContact CD1-CE1 4.18Å; L1604-F1612 HydrophobicContact CD1-CG 4.49Å | ||
| 1605 | P | 82.7 | Confident | 87.8 | Confident | 31 Ų | 31 | 53 Ų | 53 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | trans | -70.2 | 139.4 | -171.2 | 26.5 | -34.2 | 0 | 0 | 0 | 111.9 | D1585 Y1603 D1887 | D1585-P1605 WeakPolarHBondContact OD1-CA 3.35Å; Y1603-P1605 HydrophobicContact CD2-CB 4.38Å; Y1603-P1605 HydrophobicContact CE2-CB 3.96Å; Y1603-P1605 WeakPolarHBondContact O-CD 3.46Å; P1605-D1887 HydrophobicContact CB-CB 3.88Å; P1605-D1887 HydrophobicContact CG-CB 4.07Å | ||
| 1606 | N | 79.6 | Confident | 88.1 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 54.8 | 58.8 | 165.7 | -69.1 | -82.7 | 0 | 0 | 0 | 113.3 | S1581 L1583 A1584 D1585 T1889 | S1581-N1606 PolarHBondContact OG-OD1 3.28Å; L1583-N1606 HydrophobicContact CB-CB 4.3Å; L1583-N1606 HydrophobicContact CD1-CB 3.56Å; A1584-N1606 CarbonylContact O-C 3.55Å; A1584-N1606 VanDerWaalsContact O-CA 3.26Å; A1584-N1606 WeakPolarHBondContact O-CA 3.11Å; A1584-N1606 PolarHBondContact O-N 2.83Å; A1584-N1606 VanDerWaalsContact O-N 3.07Å; D1585-N1606 PolarHBondContact OD1-N 2.92Å; D1585-N1606 PolarHBondContact OD1-ND2 2.96Å; N1606-T1889 HydrophobicContact CB-CG2 4.15Å |
| 1607 | T | 83.4 | Confident | 88.1 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | trans | -150.9 | 135 | 176.3 | -176 | 0 | 0 | 0 | 0 | 113.9 | A1584 P1586 L1604 N1609 P1610 | A1584-T1607 PolarHBondContact O-N 3.4Å; P1586-T1607 WeakPolarHBondContact CD-O 3.25Å; P1586-T1607 HydrophobicContact CG-CG2 3.93Å; P1586-T1607 WeakPolarHBondContact CG-O 2.94Å; L1604-T1607 HydrophobicContact CB-CG2 3.97Å; T1607-N1609 PolarHBondContact OG1-N 3.07Å; T1607-N1609 VanDerWaalsContact OG1-N 3.12Å; T1607-P1610 HydrophobicContact CG2-CB 3.9Å | ||
| 1608 | L | 85.3 | Confident | 88.2 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -90.5 | -8.3 | 168 | -56.3 | -176 | 0 | 0 | 0 | 113.4 | D202 N253 D1574 L1575 P1577 L1583 A1584 P1610 | D202-L1608 VanDerWaalsContact OD2-CD1 3.23Å; D202-L1608 WeakPolarHBondContact OD2-CD1 3.23Å; D202-L1608 WeakPolarHBondContact OD2-CG 3.29Å; N253-L1608 HydrophobicContact CB-CD1 4.28Å; D1574-L1608 PolarHBondContact N-O 2.99Å; L1575-L1608 HydrophobicContact CB-CB 4.37Å; L1575-L1608 HydrophobicContact CB-CD2 4.44Å; L1575-L1608 WeakPolarHBondContact CB-O 3.47Å; L1575-L1608 WeakPolarHBondContact CG-O 3.3Å; L1575-L1608 PolarHBondContact N-O 2.91Å; L1575-L1608 WeakPolarHBondContact O-CD2 3.38Å; P1577-L1608 HydrophobicContact CG-CD1 4.03Å; P1577-L1608 HydrophobicContact CG-CD2 4.24Å; L1583-L1608 HydrophobicContact CD2-CG 4.19Å; A1584-L1608 HydrophobicContact CB-CD2 4.4Å; L1608-P1610 WeakPolarHBondContact O-CD 3.44Å |
| 1609 | N | 87.1 | Confident | 88.3 | Confident | 82 Ų | 82 | 47.5 Ų | 47.5 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -123.8 | 57.3 | -178.1 | -67.1 | -75 | 0 | 0 | 0 | 111.1 | A1572 I1573 D1574 T1607 E1611 | A1572-N1609 CarbonylContact O-C 3.57Å; A1572-N1609 WeakPolarHBondContact O-CA 3.07Å; I1573-N1609 WeakPolarHBondContact CA-OD1 3.33Å; D1574-N1609 PolarHBondContact N-OD1 3.28Å; T1607-N1609 PolarHBondContact OG1-N 3.07Å; T1607-N1609 VanDerWaalsContact OG1-N 3.12Å; N1609-E1611 PolarHBondContact O-N 2.91Å |
| 1610 | P | 91.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -67.6 | 127.6 | -175.4 | 27 | -35.7 | 0 | 0 | 0 | 112.7 | R1571 A1572 L1575 P1586 L1604 T1607 L1608 F1612 | R1571-P1610 CarbonylContact C-O 3.59Å; R1571-P1610 WeakPolarHBondContact CA-O 3.44Å; R1571-P1610 WeakPolarHBondContact CB-O 2.99Å; A1572-P1610 HydrophobicContact CB-CG 3.81Å; A1572-P1610 PolarHBondContact N-O 3Å; L1575-P1610 HydrophobicContact CD1-CG 3.68Å; P1586-P1610 HydrophobicContact CB-CB 4.47Å; P1586-P1610 HydrophobicContact CB-CG 4.05Å; P1586-P1610 HydrophobicContact CG-CB 3.68Å; P1586-P1610 HydrophobicContact CG-CG 3.58Å; L1604-P1610 HydrophobicContact CB-CB 4.35Å; L1604-P1610 HydrophobicContact CD1-CB 3.5Å; L1604-P1610 VanDerWaalsContact CD1-CB 3.5Å; T1607-P1610 HydrophobicContact CG2-CB 3.9Å; L1608-P1610 WeakPolarHBondContact O-CD 3.44Å; P1610-F1612 HydrophobicContact CB-CD1 4.31Å; P1610-F1612 HydrophobicContact CB-CD2 4.43Å; P1610-F1612 HydrophobicContact CB-CE1 3.84Å; P1610-F1612 HydrophobicContact CB-CE2 4.01Å; P1610-F1612 HydrophobicContact CB-CZ 3.69Å; P1610-F1612 HydrophobicContact CG-CD2 4.37Å; P1610-F1612 HydrophobicContact CG-CE1 4.03Å; P1610-F1612 HydrophobicContact CG-CE2 3.56Å; P1610-F1612 HydrophobicContact CG-CZ 3.36Å; P1610-F1612 PolarHBondContact O-N 2.83Å | ||
| 1611 | E | 88.6 | Confident | 88.9 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 92.9 | 163.2 | -71.1 | -177.2 | 170.2 | 0 | 0 | 109.5 | R1571 N1609 R1892 | R1571-E1611 HydrophobicContact CB-CG 4.25Å; N1609-E1611 PolarHBondContact O-N 2.91Å; E1611-R1892 IonicContact OE1-NH1 2.77Å; E1611-R1892 IonicContact OE2-CZ 3.54Å; E1611-R1892 IonicContact OE2-NH1 2.82Å; E1611-R1892 PolarHBondContact OE2-NH1 2.95Å; E1611-R1892 VanDerWaalsContact OE2-NH1 3.1Å; E1611-R1892 IonicContact OE2-NH2 3.46Å; E1611-R1892 PolarHBondContact OE2-NH2 3.01Å |
| 1612 | F | 92.2 | Very high | 89.3 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -47.3 | -179.1 | -61.4 | -70.4 | 0 | 0 | 0 | 112.4 | I1569 I1570 A1572 P1586 V1588 L1604 P1610 K1614 V1632 L1775 | I1569-F1612 HydrophobicContact CG2-CB 4.22Å; I1569-F1612 HydrophobicContact CG2-CD2 3.65Å; I1569-F1612 HydrophobicContact CG2-CE2 4.35Å; I1569-F1612 HydrophobicContact CG2-CG 4.2Å; I1570-F1612 PolarHBondContact O-N 3.23Å; A1572-F1612 HydrophobicContact CB-CE2 3.94Å; P1586-F1612 HydrophobicContact CB-CE1 4.31Å; P1586-F1612 HydrophobicContact CB-CZ 4.1Å; V1588-F1612 HydrophobicContact CG2-CD1 3.72Å; V1588-F1612 HydrophobicContact CG2-CD2 3.77Å; V1588-F1612 HydrophobicContact CG2-CE1 3.6Å; V1588-F1612 HydrophobicContact CG2-CE2 3.62Å; V1588-F1612 HydrophobicContact CG2-CG 3.79Å; V1588-F1612 HydrophobicContact CG2-CZ 3.52Å; L1604-F1612 HydrophobicContact CD1-CD1 3.83Å; L1604-F1612 HydrophobicContact CD1-CE1 4.18Å; L1604-F1612 HydrophobicContact CD1-CG 4.49Å; P1610-F1612 HydrophobicContact CB-CD1 4.31Å; P1610-F1612 HydrophobicContact CB-CD2 4.43Å; P1610-F1612 HydrophobicContact CB-CE1 3.84Å; P1610-F1612 HydrophobicContact CB-CE2 4.01Å; P1610-F1612 HydrophobicContact CB-CZ 3.69Å; P1610-F1612 HydrophobicContact CG-CD2 4.37Å; P1610-F1612 HydrophobicContact CG-CE1 4.03Å; P1610-F1612 HydrophobicContact CG-CE2 3.56Å; P1610-F1612 HydrophobicContact CG-CZ 3.36Å; P1610-F1612 PolarHBondContact O-N 2.83Å; F1612-K1614 VanDerWaalsContact C-N 3.31Å; F1612-K1614 WeakPolarHBondContact O-CG 3.33Å; F1612-K1614 PolarHBondContact O-N 3.27Å; F1612-V1632 HydrophobicContact CZ-CG1 4.22Å; F1612-L1775 HydrophobicContact CE2-CD1 4.21Å |
| 1613 | G | 90.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 44.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1569 I1570 I1795 | I1569-G1613 PolarHBondContact O-N 2.87Å; I1570-G1613 PolarHBondContact O-N 3.09Å; G1613-I1795 CarbonylContact C-O 3.55Å; G1613-I1795 VanDerWaalsContact CA-O 3.23Å; G1613-I1795 WeakPolarHBondContact CA-O 3.34Å; G1613-I1795 CarbonylContact O-C 3.07Å |
| 1614 | K | 91.7 | Very high | 90 | Very high | 47 Ų | 47 | 37.1 Ų | 37.1 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.2 | -174.4 | -78.9 | 175.5 | -168.1 | 167.9 | 0 | 112.3 | I1569 K1602 F1612 F1616 | I1569-K1614 PolarHBondContact N-O 2.84Å; I1569-K1614 PolarHBondContact O-N 3.25Å; K1602-K1614 VanDerWaalsContact CB-NZ 3.26Å; K1602-K1614 PolarHBondContact O-NZ 3.09Å; F1612-K1614 VanDerWaalsContact C-N 3.31Å; F1612-K1614 WeakPolarHBondContact O-CG 3.33Å; F1612-K1614 PolarHBondContact O-N 3.27Å; K1614-F1616 HydrophobicContact CB-CD2 4.5Å; K1614-F1616 HydrophobicContact CB-CE2 3.82Å; K1614-F1616 HydrophobicContact CB-CZ 4.14Å; K1614-F1616 HydrophobicContact CD-CZ 4.36Å |
| 1615 | M | 93.1 | Very high | 90.3 | Very high | 61 Ų | 61 | 35.9 Ų | 35.9 | 30% | 0.3 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128 | 171.3 | -179.3 | -80.2 | -60.9 | 0 | 0 | 109.2 | R1566 V1567 Y1568 Q1617 P1792 | R1566-M1615 HydrophobicContact CB-SD 4.38Å; R1566-M1615 HydrophobicContact CG-SD 4.25Å; V1567-M1615 WeakPolarHBondContact O-CA 3.32Å; Y1568-M1615 HydrophobicContact CD1-CB 3.73Å; Y1568-M1615 HydrophobicContact CD1-CG 3.65Å; Y1568-M1615 HydrophobicContact CD2-CG 4.42Å; Y1568-M1615 HydrophobicContact CE1-CB 3.75Å; Y1568-M1615 HydrophobicContact CE1-CG 3.32Å; Y1568-M1615 HydrophobicContact CE2-CG 4.17Å; Y1568-M1615 HydrophobicContact CG-CB 4.47Å; Y1568-M1615 HydrophobicContact CG-CG 4.19Å; M1615-Q1617 HydrophobicContact SD-CB 3.8Å; M1615-P1792 HydrophobicContact CE-CB 3.83Å; M1615-P1792 HydrophobicContact CE-CG 3.94Å |
| 1616 | F | 93.6 | Very high | 90.7 | Very high | 19 Ų | 19 | 35 Ų | 35 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.8 | 175.6 | -59.1 | -95.3 | 0 | 0 | 0 | 109.1 | R1566 V1567 I1569 I1590 V1597 K1614 M1618 | R1566-F1616 WeakPolarHBondContact CA-O 3.21Å; V1567-F1616 PolarHBondContact N-O 2.84Å; V1567-F1616 PolarHBondContact O-N 3.37Å; I1569-F1616 HydrophobicContact CG1-CD2 4.28Å; I1569-F1616 HydrophobicContact CG1-CE2 4.06Å; I1590-F1616 HydrophobicContact CD1-CB 3.83Å; I1590-F1616 HydrophobicContact CD1-CD1 4.32Å; I1590-F1616 HydrophobicContact CD1-CD2 3.21Å; I1590-F1616 HydrophobicContact CD1-CE2 3.72Å; I1590-F1616 HydrophobicContact CD1-CG 3.54Å; I1590-F1616 HydrophobicContact CD1-CZ 4.44Å; I1590-F1616 HydrophobicContact CG1-CD2 4.3Å; I1590-F1616 HydrophobicContact CG1-CE2 4.47Å; I1590-F1616 HydrophobicContact CG1-CG 4.48Å; V1597-F1616 HydrophobicContact CB-CD1 4.22Å; V1597-F1616 HydrophobicContact CG1-CD1 3.75Å; V1597-F1616 HydrophobicContact CG1-CE1 4.09Å; K1614-F1616 HydrophobicContact CB-CD2 4.5Å; K1614-F1616 HydrophobicContact CB-CE2 3.82Å; K1614-F1616 HydrophobicContact CB-CZ 4.14Å; K1614-F1616 HydrophobicContact CD-CZ 4.36Å; F1616-M1618 HydrophobicContact CB-CE 3.75Å |
| 1617 | Q | 93.3 | Very high | 91.3 | Very high | 92 Ų | 92 | 36 Ų | 36 | 43% | 0.43 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.2 | 176.6 | -171.9 | 171.7 | -57 | 0 | 0 | 110 | M1564 L1565 R1566 M1615 | M1564-Q1617 HydrophobicContact CG-CG 3.96Å; M1564-Q1617 HydrophobicContact SD-CG 3.55Å; M1564-Q1617 VanDerWaalsContact SD-CG 3.55Å; L1565-Q1617 WeakPolarHBondContact O-CA 3.47Å; R1566-Q1617 HydrophobicContact CG-CB 4.41Å; R1566-Q1617 HydrophobicContact CG-CG 4.1Å; M1615-Q1617 HydrophobicContact SD-CB 3.8Å |
| 1618 | M | 93.1 | Very high | 91.9 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.054 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 159.9 | 179.5 | 61.4 | -163.9 | 77.4 | 0 | 0 | 110.9 | L1565 I1590 V1592 H1595 V1597 F1616 | L1565-M1618 HydrophobicContact CB-CG 4.25Å; L1565-M1618 HydrophobicContact CD1-CG 4.47Å; L1565-M1618 PolarHBondContact N-O 2.74Å; L1565-M1618 PolarHBondContact O-N 2.78Å; I1590-M1618 HydrophobicContact CB-CE 4.16Å; I1590-M1618 HydrophobicContact CG2-CE 3.72Å; I1590-M1618 HydrophobicContact CG2-SD 4.15Å; V1592-M1618 HydrophobicContact CB-SD 4.45Å; V1592-M1618 HydrophobicContact CG1-CG 3.87Å; V1592-M1618 HydrophobicContact CG1-SD 3.32Å; V1592-M1618 WeakPolarHBondContact CG1-SD 3.22Å; H1595-M1618 HydrophobicContact CB-SD 4.39Å; V1597-M1618 HydrophobicContact CB-CE 4.42Å; V1597-M1618 HydrophobicContact CG2-CE 4.1Å; F1616-M1618 HydrophobicContact CB-CE 3.75Å |
| 1619 | K | 93.1 | Very high | 92.4 | Very high | 85 Ų | 85 | 36.4 Ų | 36.4 | 37% | 0.37 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 147.8 | 173.6 | -67.7 | -177 | 163.4 | -152.6 | 0 | 109.4 | E1562 C1563 M1564 H1595 | E1562-K1619 WeakPolarHBondContact OE1-CD 3.23Å; E1562-K1619 IonicContact OE1-NZ 2.69Å; E1562-K1619 PolarHBondContact OE1-NZ 2.94Å; E1562-K1619 IonicContact OE2-NZ 3.56Å; E1562-K1619 PolarHBondContact OE2-NZ 2.93Å; C1563-K1619 CarbonylContact O-C 3.52Å; C1563-K1619 WeakPolarHBondContact O-CA 3.47Å; M1564-K1619 HydrophobicContact CE-CD 4.34Å; M1564-K1619 HydrophobicContact CE-CG 3.81Å; M1564-K1619 HydrophobicContact SD-CG 3.84Å; H1595-K1619 PolarHBondContact CD2-O 3.38Å; H1595-K1619 PolarHBondContact NE2-O 3.12Å |
| 1620 | C | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 160.4 | 170.3 | 71.2 | 0 | 0 | 0 | 0 | 109.8 | E1562 C1563 L1565 V1592 E1625 | E1562-C1620 WeakPolarHBondContact CA-O 3.36Å; C1563-C1620 PolarHBondContact N-O 2.9Å; C1563-C1620 PolarHBondContact O-N 2.67Å; L1565-C1620 HydrophobicContact CD1-CB 3.79Å; L1565-C1620 WeakPolarHBondContact CD1-SG 3.47Å; L1565-C1620 HydrophobicContact CG-CB 4.36Å; L1565-C1620 VanDerWaalsContact CG-SG 3.53Å; V1592-C1620 HydrophobicContact CG1-CB 4.35Å; V1592-C1620 HydrophobicContact CG2-CB 3.87Å; C1620-E1625 VanDerWaalsContact CA-OE2 3.23Å; C1620-E1625 WeakPolarHBondContact CA-OE2 3.44Å; C1620-E1625 HydrophobicContact CB-CB 4.2Å |
| 1621 | I | 95.1 | Very high | 93 | Very high | 69 Ų | 69 | 33 Ų | 33 | 35% | 0.354 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 107.3 | 172.3 | -55.9 | 173.7 | 0 | 0 | 0 | 108.9 | P1560 I1624 E1625 | P1560-I1621 HydrophobicContact CB-CG2 3.56Å; I1621-I1624 HydrophobicContact CB-CD1 4.43Å; I1621-I1624 HydrophobicContact CG2-CD1 3.77Å; I1621-I1624 HydrophobicContact CG2-CG1 4.23Å; I1621-I1624 WeakPolarHBondContact O-CA 3.24Å; I1621-I1624 WeakPolarHBondContact O-CB 3.41Å; I1621-I1624 PolarHBondContact O-N 3.27Å; I1621-E1625 PolarHBondContact N-OE2 3.44Å; I1621-E1625 PolarHBondContact O-N 3.25Å |
| 1622 | L | 93 | Very high | 93.3 | Very high | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.3 | 177.1 | -61.6 | -178.4 | 0 | 0 | 0 | 110.2 | P1560 E1561 C1563 K1626 L1651 R1655 I1781 | P1560-L1622 CarbonylContact C-O 3.56Å; P1560-L1622 WeakPolarHBondContact CA-O 3.49Å; E1561-L1622 PolarHBondContact N-O 3.42Å; E1561-L1622 PolarHBondContact O-N 2.98Å; C1563-L1622 HydrophobicContact CB-CD1 4.39Å; L1622-K1626 HydrophobicContact CD2-CB 4.42Å; L1622-L1651 HydrophobicContact CD1-CB 4.22Å; L1622-L1651 HydrophobicContact CD2-CB 3.75Å; L1622-L1651 HydrophobicContact CD2-CD1 4.23Å; L1622-R1655 HydrophobicContact CD1-CB 3.96Å; L1622-R1655 HydrophobicContact CD1-CG 4.18Å; L1622-I1781 HydrophobicContact CD1-CG2 4.22Å |
| 1623 | P | 92.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -96.3 | 13.4 | 2.8 | 38.7 | -36.6 | 0 | 0 | 0 | 114.3 | R1313 P1349 E1625 E1652 | R1313-P1623 VanDerWaalsContact NH2-CG 3.3Å; P1349-P1623 HydrophobicContact CG-CG 3.84Å; P1623-E1625 VanDerWaalsContact C-N 3.27Å; P1623-E1625 PolarHBondContact O-N 2.99Å; P1623-E1652 HydrophobicContact CB-CB 4.13Å; P1623-E1652 HydrophobicContact CB-CG 3.99Å; P1623-E1652 VanDerWaalsContact CB-OE1 3.31Å; P1623-E1652 WeakPolarHBondContact CB-OE1 3.14Å; P1623-E1652 WeakPolarHBondContact CB-OE2 2.95Å |
| 1624 | I | 91.2 | Very high | 93.5 | Very high | 68 Ų | 68 | 31.8 Ų | 31.8 | 35% | 0.349 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -41.7 | -179.4 | -55.9 | 176.5 | 0 | 0 | 0 | 110.4 | K1347 P1560 I1621 | K1347-I1624 VanDerWaalsContact O-CD1 3.28Å; K1347-I1624 WeakPolarHBondContact O-CD1 3.36Å; P1560-I1624 HydrophobicContact CB-CD1 4Å; P1560-I1624 HydrophobicContact CB-CG1 4.27Å; P1560-I1624 HydrophobicContact CG-CD1 4.09Å; P1560-I1624 HydrophobicContact CG-CG1 4.38Å; I1621-I1624 HydrophobicContact CB-CD1 4.43Å; I1621-I1624 HydrophobicContact CG2-CD1 3.77Å; I1621-I1624 HydrophobicContact CG2-CG1 4.23Å; I1621-I1624 WeakPolarHBondContact O-CA 3.24Å; I1621-I1624 WeakPolarHBondContact O-CB 3.41Å; I1621-I1624 PolarHBondContact O-N 3.27Å |
| 1625 | E | 92.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 51.5 | -178.4 | -56.3 | 179.7 | 135.4 | 0 | 0 | 109.8 | V1592 G1593 Q1594 C1620 I1621 P1623 | V1592-E1625 HydrophobicContact CG2-CB 4.2Å; V1592-E1625 VanDerWaalsContact CG2-O 3.26Å; V1592-E1625 WeakPolarHBondContact CG2-O 3.39Å; G1593-E1625 WeakPolarHBondContact CA-OE1 3.45Å; Q1594-E1625 PolarHBondContact N-OE1 3.12Å; C1620-E1625 VanDerWaalsContact CA-OE2 3.23Å; C1620-E1625 WeakPolarHBondContact CA-OE2 3.44Å; C1620-E1625 HydrophobicContact CB-CB 4.2Å; I1621-E1625 PolarHBondContact N-OE2 3.44Å; I1621-E1625 PolarHBondContact O-N 3.25Å; P1623-E1625 VanDerWaalsContact C-N 3.27Å; P1623-E1625 PolarHBondContact O-N 2.99Å |
| 1626 | K | 91.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | trans | -74.2 | -26.1 | -174 | 71.8 | 167.3 | -176.3 | 108.5 | 0 | 115.3 | R1313 E1528 L1622 D1650 L1651 E1652 | R1313-K1626 HydrophobicContact CG-CD 4.24Å; E1528-K1626 IonicContact OE2-NZ 3.85Å; L1622-K1626 HydrophobicContact CD2-CB 4.42Å; K1626-D1650 IonicContact NZ-OD2 2.66Å; K1626-D1650 PolarHBondContact NZ-OD2 3.02Å; K1626-L1651 WeakPolarHBondContact O-CB 3.23Å; K1626-L1651 WeakPolarHBondContact O-CG 3.34Å; K1626-L1651 PolarHBondContact O-N 3.12Å; K1626-E1652 HydrophobicContact CB-CB 3.9Å; K1626-E1652 HydrophobicContact CD-CB 4.35Å | ||
| 1627 | E | 92 | Very high | 92 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 28% | 0.276 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115.6 | -176 | -61.8 | -59.8 | 157.3 | 0 | 0 | 109.3 | ||
| 1628 | L | 96.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.1 | 167.7 | 176.5 | 65.2 | 0 | 0 | 0 | 108.6 | V1567 I1590 V1592 V1630 D1648 I1649 L1651 V1779 | V1567-L1628 HydrophobicContact CG1-CD2 4.42Å; V1567-L1628 HydrophobicContact CG2-CD1 4.14Å; V1567-L1628 HydrophobicContact CG2-CD2 3.79Å; I1590-L1628 HydrophobicContact CG2-CD1 3.47Å; I1590-L1628 VanDerWaalsContact CG2-CD1 3.47Å; V1592-L1628 HydrophobicContact CB-CD1 4.16Å; L1628-V1630 HydrophobicContact CD2-CG2 4.32Å; L1628-V1630 HydrophobicContact CG-CG2 4.06Å; L1628-D1648 WeakPolarHBondContact O-CA 3.44Å; L1628-I1649 HydrophobicContact CB-CB 4.26Å; L1628-I1649 HydrophobicContact CD2-CD1 4.22Å; L1628-I1649 PolarHBondContact N-O 3.45Å; L1628-I1649 PolarHBondContact O-N 2.9Å; L1628-L1651 HydrophobicContact CB-CD1 3.89Å; L1628-L1651 HydrophobicContact CB-CD2 4.04Å; L1628-L1651 HydrophobicContact CB-CG 3.86Å; L1628-L1651 HydrophobicContact CD2-CD2 4.05Å; L1628-V1779 HydrophobicContact CD2-CG1 4.24Å; L1628-V1779 HydrophobicContact CD2-CG2 3.68Å |
| 1629 | H | 94.6 | Very high | 90.2 | Very high | 60 Ų | 60 | 38.4 Ų | 38.4 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.3 | 174.1 | -53.8 | -73.2 | 0 | 0 | 0 | 109.1 | I1590 I1591 I1631 D1648 | I1590-H1629 WeakPolarHBondContact CA-O 3.34Å; I1591-H1629 HydrophobicContact CB-CB 4.18Å; I1591-H1629 PolarHBondContact N-O 3.28Å; I1591-H1629 PolarHBondContact O-N 3.15Å; H1629-I1631 HydrophobicContact CB-CG1 4.45Å; H1629-D1648 IonicContact CE1-OD1 2.9Å; H1629-D1648 IonicContact CG-OD1 2.68Å; H1629-D1648 IonicContact ND1-OD1 3.73Å; H1629-D1648 PolarHBondContact ND1-OD1 2.77Å; H1629-D1648 IonicContact ND1-OD2 2.74Å |
| 1630 | V | 96.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111.9 | 173.5 | -172.4 | 0 | 0 | 0 | 0 | 108 | I1569 V1588 L1628 Q1646 T1647 L1775 M1777 | I1569-V1630 HydrophobicContact CD1-CG1 3.9Å; V1588-V1630 HydrophobicContact CG1-CG1 4Å; L1628-V1630 HydrophobicContact CD2-CG2 4.32Å; L1628-V1630 HydrophobicContact CG-CG2 4.06Å; V1630-Q1646 VanDerWaalsContact O-CA 3.31Å; V1630-Q1646 WeakPolarHBondContact O-CA 3.48Å; V1630-T1647 HydrophobicContact CB-CG2 4.09Å; V1630-T1647 PolarHBondContact N-O 3.14Å; V1630-T1647 PolarHBondContact O-N 3.25Å; V1630-L1775 HydrophobicContact CB-CD2 4.38Å; V1630-L1775 HydrophobicContact CG1-CD2 3.44Å; V1630-L1775 VanDerWaalsContact CG1-CD2 3.44Å; V1630-M1777 HydrophobicContact CB-SD 4.47Å; V1630-M1777 HydrophobicContact CG1-SD 4.33Å; V1630-M1777 HydrophobicContact CG2-CE 3.97Å; V1630-M1777 HydrophobicContact CG2-SD 4.1Å |
| 1631 | I | 95.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.2 | -172.6 | -48.1 | 176.2 | 0 | 0 | 0 | 108 | V1588 E1589 I1591 H1629 K1633 I1643 Q1646 | V1588-I1631 WeakPolarHBondContact CA-O 3.42Å; E1589-I1631 HydrophobicContact CB-CB 4.36Å; E1589-I1631 PolarHBondContact N-O 3.02Å; E1589-I1631 PolarHBondContact O-N 3.1Å; I1591-I1631 HydrophobicContact CD1-CD1 3.77Å; I1591-I1631 HydrophobicContact CG1-CD1 4.45Å; H1629-I1631 HydrophobicContact CB-CG1 4.45Å; I1631-K1633 HydrophobicContact CG2-CD 4.49Å; I1631-K1633 HydrophobicContact CG2-CG 3.87Å; I1631-I1643 HydrophobicContact CG2-CG1 4.24Å; I1631-I1643 HydrophobicContact CG2-CG2 3.82Å; I1631-Q1646 HydrophobicContact CB-CB 4.34Å; I1631-Q1646 HydrophobicContact CG1-CB 3.96Å; I1631-Q1646 HydrophobicContact CG2-CB 4.26Å |
| 1632 | V | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.4 | 169.2 | -170.8 | 0 | 0 | 0 | 0 | 107.6 | L1575 P1586 F1612 I1644 G1645 L1762 L1775 | L1575-V1632 HydrophobicContact CD1-CG1 3.78Å; L1575-V1632 HydrophobicContact CD2-CG1 4.21Å; P1586-V1632 HydrophobicContact CB-CG1 4.04Å; F1612-V1632 HydrophobicContact CZ-CG1 4.22Å; V1632-I1644 HydrophobicContact CG1-CD1 4.23Å; V1632-I1644 WeakPolarHBondContact O-CB 3.38Å; V1632-I1644 PolarHBondContact O-N 3.14Å; V1632-G1645 PolarHBondContact N-O 3.38Å; V1632-G1645 PolarHBondContact O-N 3.43Å; V1632-L1762 HydrophobicContact CB-CD1 4.27Å; V1632-L1762 HydrophobicContact CG2-CD1 3.74Å; V1632-L1762 HydrophobicContact CG2-CD2 4.36Å; V1632-L1775 HydrophobicContact CG2-CD1 4.32Å; V1632-L1775 HydrophobicContact CG2-CD2 4.46Å |
| 1633 | K | 93.4 | Very high | 88.6 | Confident | 27 Ų | 27 | 42.9 Ų | 42.9 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.1 | -176.1 | -72 | -174.5 | 166.9 | 177.7 | 0 | 111.1 | P1586 Y1587 E1589 I1631 D1642 I1643 | P1586-K1633 CarbonylContact C-O 3.45Å; P1586-K1633 VanDerWaalsContact CA-O 3.25Å; P1586-K1633 WeakPolarHBondContact CA-O 3.19Å; Y1587-K1633 HydrophobicContact CD1-CB 4.15Å; Y1587-K1633 WeakPolarHBondContact CD1-O 3.22Å; Y1587-K1633 HydrophobicContact CE1-CB 3.59Å; Y1587-K1633 HydrophobicContact CE2-CB 4.01Å; Y1587-K1633 HydrophobicContact CE2-CD 4.16Å; Y1587-K1633 PolarHBondContact N-O 3.14Å; Y1587-K1633 PolarHBondContact O-N 3.23Å; Y1587-K1633 VanDerWaalsContact OH-CD 3.32Å; Y1587-K1633 WeakPolarHBondContact OH-CD 3.08Å; E1589-K1633 HydrophobicContact CB-CD 4.5Å; E1589-K1633 WeakPolarHBondContact OE1-CE 3.23Å; E1589-K1633 IonicContact OE1-NZ 2.74Å; E1589-K1633 PolarHBondContact OE1-NZ 2.9Å; E1589-K1633 IonicContact OE2-NZ 3.58Å; I1631-K1633 HydrophobicContact CG2-CD 4.49Å; I1631-K1633 HydrophobicContact CG2-CG 3.87Å; K1633-D1642 CarbonylContact C-O 3.59Å; K1633-D1642 VanDerWaalsContact CA-O 3.23Å; K1633-D1642 WeakPolarHBondContact CA-O 3.48Å; K1633-D1642 WeakPolarHBondContact CB-O 3.42Å; K1633-I1643 HydrophobicContact CG-CG1 4.22Å |
| 1634 | D | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 138.2 | 171.6 | -161.4 | 5.4 | 0 | 0 | 0 | 110.4 | S1578 D1579 A1584 D1585 D1641 D1642 I1644 | S1578-D1634 WeakPolarHBondContact CB-OD2 3.38Å; D1579-D1634 PolarHBondContact N-OD2 3Å; A1584-D1634 HydrophobicContact CB-CB 4.49Å; D1585-D1634 WeakPolarHBondContact CA-OD1 3.21Å; D1585-D1634 WeakPolarHBondContact CB-OD1 3.39Å; D1585-D1634 PolarHBondContact N-OD1 3.29Å; D1634-D1641 WeakPolarHBondContact O-CA 3.39Å; D1634-D1641 WeakPolarHBondContact O-CB 3.49Å; D1634-D1642 HydrophobicContact CB-CB 4.38Å; D1634-D1642 PolarHBondContact N-O 3.04Å; D1634-I1644 HydrophobicContact CB-CD1 4.04Å; D1634-I1644 HydrophobicContact CB-CG1 4.01Å |
| 1635 | Y | 88.7 | Confident | 88.4 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | trans | -94.3 | 109.3 | 178.9 | 169.7 | -101.3 | 0 | 0 | 0 | 111.1 | D1585 K1600 Y1603 | D1585-Y1635 PolarHBondContact O-N 2.84Å; D1585-Y1635 VanDerWaalsContact O-N 3.15Å; K1600-Y1635 HydrophobicContact CD-CD2 4.32Å; K1600-Y1635 VanDerWaalsContact CE-CD2 3.5Å; K1600-Y1635 VanDerWaalsContact CE-CE2 3.47Å; K1600-Y1635 HydrophobicContact CG-CD2 4.08Å; K1600-Y1635 HydrophobicContact CG-CE2 4.5Å; Y1603-Y1635 AromaticContact CD1-CD1 3.72Å; Y1603-Y1635 HydrophobicContact CD1-CD1 3.72Å; Y1603-Y1635 HydrophobicContact CD1-CE1 4.16Å; Y1603-Y1635 AromaticContact CD1-CG 3.92Å; Y1603-Y1635 HydrophobicContact CD1-CG 3.92Å; Y1603-Y1635 AromaticContact CD2-CD1 3.94Å; Y1603-Y1635 HydrophobicContact CD2-CD1 3.94Å; Y1603-Y1635 HydrophobicContact CD2-CG 4.35Å; Y1603-Y1635 AromaticContact CE1-CD1 3.46Å; Y1603-Y1635 HydrophobicContact CE1-CD1 3.46Å; Y1603-Y1635 VanDerWaalsContact CE1-CD1 3.46Å; Y1603-Y1635 AromaticContact CE1-CE1 3.51Å; Y1603-Y1635 HydrophobicContact CE1-CE1 3.51Å; Y1603-Y1635 HydrophobicContact CE1-CG 4.12Å; Y1603-Y1635 AromaticContact CE2-CD1 3.66Å; Y1603-Y1635 HydrophobicContact CE2-CD1 3.66Å; Y1603-Y1635 HydrophobicContact CE2-CE1 4.26Å; Y1603-Y1635 AromaticContact CG-CD1 3.95Å; Y1603-Y1635 HydrophobicContact CG-CD1 3.95Å; Y1603-Y1635 HydrophobicContact CG-CG 4.04Å; Y1603-Y1635 AromaticContact CZ-CD1 3.41Å; Y1603-Y1635 VanDerWaalsContact CZ-CD1 3.41Å; Y1603-Y1635 AromaticContact CZ-CE1 3.55Å | ||
| 1636 | D | 83.4 | Confident | 88.4 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | trans | -94.6 | 126.9 | 173.5 | -65.6 | -73 | 0 | 0 | 0 | 112.1 | V1638 D1642 | D1636-V1638 PolarHBondContact O-N 3.34Å; D1636-D1642 PolarHBondContact OD2-N 3Å | ||
| 1637 | A | 76 | Confident | 88.5 | Confident | 73 Ų | 73 | 40.3 Ų | 40.3 | 60% | 0.603 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -65.2 | -26.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1638 | V | 72.6 | Confident | 88.6 | Confident | 141 Ų | 141 | 40.5 Ų | 40.5 | 86% | 0.855 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -136.4 | 106.7 | 179.2 | -178 | 0 | 0 | 0 | 0 | 109.2 | D1636 | D1636-V1638 PolarHBondContact O-N 3.34Š|
| 1639 | G | 74.3 | Confident | 88.5 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 69% | 0.691 | 25% | 0.25 | S | S | * | . | S | Bend | trans | 134.5 | -164.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1640 | A | 81.4 | Confident | 88.4 | Confident | 84 Ų | 84 | 39.1 Ų | 39.1 | 69% | 0.694 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -101 | 128.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108 | D1642 | A1640-D1642 PolarHBondContact O-N 2.95Š|
| 1641 | D | 87.3 | Confident | 88.3 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -49.5 | 126.5 | 176.2 | -60.1 | 30.7 | 0 | 0 | 0 | 113.1 | Y1587 K1600 D1634 | Y1587-D1641 HydrophobicContact CE1-CB 4.33Å; Y1587-D1641 WeakPolarHBondContact CE1-OD2 3.21Å; Y1587-D1641 VanDerWaalsContact CZ-OD2 3.24Å; Y1587-D1641 PolarHBondContact OH-OD2 2.94Å; K1600-D1641 WeakPolarHBondContact CD-OD2 3.45Å; K1600-D1641 WeakPolarHBondContact CE-OD2 3.38Å; K1600-D1641 IonicContact NZ-OD1 3.22Å; K1600-D1641 PolarHBondContact NZ-OD1 2.74Å; K1600-D1641 IonicContact NZ-OD2 3.1Å; K1600-D1641 PolarHBondContact NZ-OD2 3.01Å; D1634-D1641 WeakPolarHBondContact O-CA 3.39Å; D1634-D1641 WeakPolarHBondContact O-CB 3.49Å |
| 1642 | D | 85.3 | Confident | 88.2 | Confident | 84 Ų | 84 | 38.9 Ų | 38.9 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -77 | 143.3 | -179.7 | -78.7 | -31.1 | 0 | 0 | 0 | 113.3 | K1633 D1634 D1636 A1640 I1644 | K1633-D1642 CarbonylContact C-O 3.59Å; K1633-D1642 VanDerWaalsContact CA-O 3.23Å; K1633-D1642 WeakPolarHBondContact CA-O 3.48Å; K1633-D1642 WeakPolarHBondContact CB-O 3.42Å; D1634-D1642 HydrophobicContact CB-CB 4.38Å; D1634-D1642 PolarHBondContact N-O 3.04Å; D1636-D1642 PolarHBondContact OD2-N 3Å; A1640-D1642 PolarHBondContact O-N 2.95Å; D1642-I1644 PolarHBondContact O-N 3.39Å |
| 1643 | I | 89.3 | Confident | 88.1 | Confident | 62 Ų | 62 | 39.8 Ų | 39.8 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 108.9 | 172.1 | -63.7 | 171 | 0 | 0 | 0 | 108.3 | I1631 K1633 | I1631-I1643 HydrophobicContact CG2-CG1 4.24Å; I1631-I1643 HydrophobicContact CG2-CG2 3.82Å; K1633-I1643 HydrophobicContact CG-CG1 4.22Å |
| 1644 | I | 88 | Confident | 88.1 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | -53.7 | 172.4 | -57.6 | 178.8 | 0 | 0 | 0 | 108.6 | L1575 Q1576 A1584 P1586 V1632 D1634 D1642 Q1772 | L1575-I1644 HydrophobicContact CB-CG2 4.17Å; L1575-I1644 HydrophobicContact CD1-CD1 4.35Å; L1575-I1644 HydrophobicContact CD2-CG2 4.18Å; Q1576-I1644 HydrophobicContact CB-CG2 3.81Å; A1584-I1644 HydrophobicContact CB-CD1 3.61Å; P1586-I1644 HydrophobicContact CB-CD1 4.27Å; V1632-I1644 HydrophobicContact CG1-CD1 4.23Å; V1632-I1644 WeakPolarHBondContact O-CB 3.38Å; V1632-I1644 PolarHBondContact O-N 3.14Å; D1634-I1644 HydrophobicContact CB-CD1 4.04Å; D1634-I1644 HydrophobicContact CB-CG1 4.01Å; D1642-I1644 PolarHBondContact O-N 3.39Å; I1644-Q1772 WeakPolarHBondContact O-CB 3.22Å; I1644-Q1772 VanDerWaalsContact O-CG 3.3Å; I1644-Q1772 WeakPolarHBondContact O-CG 3.38Å |
| 1645 | G | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 164.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1632 Y1763 | V1632-G1645 PolarHBondContact N-O 3.38Å; V1632-G1645 PolarHBondContact O-N 3.43Å; G1645-Y1763 CarbonylContact C-O 3.54Å; G1645-Y1763 WeakPolarHBondContact CA-O 3.34Å |
| 1646 | Q | 93.3 | Very high | 88.2 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 23% | 0.229 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.3 | -179.2 | 66.8 | 179.7 | 34.2 | 0 | 0 | 112.4 | V1630 I1631 Y1763 | V1630-Q1646 VanDerWaalsContact O-CA 3.31Å; V1630-Q1646 WeakPolarHBondContact O-CA 3.48Å; I1631-Q1646 HydrophobicContact CB-CB 4.34Å; I1631-Q1646 HydrophobicContact CG1-CB 3.96Å; I1631-Q1646 HydrophobicContact CG2-CB 4.26Å; Q1646-Y1763 PolarHBondContact N-O 2.76Å; Q1646-Y1763 PolarHBondContact O-N 2.85Å |
| 1647 | T | 94.1 | Very high | 88.6 | Confident | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.7 | 168.2 | -179.6 | 0 | 0 | 0 | 0 | 110 | V1630 R1760 L1762 | V1630-T1647 HydrophobicContact CB-CG2 4.09Å; V1630-T1647 PolarHBondContact N-O 3.14Å; V1630-T1647 PolarHBondContact O-N 3.25Å; T1647-R1760 HydrophobicContact CG2-CB 4.01Å; T1647-R1760 PolarHBondContact OG1-NE 3.22Å; T1647-L1762 HydrophobicContact CG2-CD2 4.01Å |
| 1648 | D | 92.4 | Very high | 89.1 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 147.9 | -179.7 | -55.2 | -38.2 | 0 | 0 | 0 | 110.9 | L1628 H1629 R1760 | L1628-D1648 WeakPolarHBondContact O-CA 3.44Å; H1629-D1648 IonicContact CE1-OD1 2.9Å; H1629-D1648 IonicContact CG-OD1 2.68Å; H1629-D1648 IonicContact ND1-OD1 3.73Å; H1629-D1648 PolarHBondContact ND1-OD1 2.77Å; H1629-D1648 IonicContact ND1-OD2 2.74Å; D1648-R1760 PolarHBondContact O-NH2 2.86Å |
| 1649 | I | 94.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 124.7 | 178.5 | -59.3 | 170.3 | 0 | 0 | 0 | 109.4 | L1628 L1651 M1777 V1779 | L1628-I1649 HydrophobicContact CB-CB 4.26Å; L1628-I1649 HydrophobicContact CD2-CD1 4.22Å; L1628-I1649 PolarHBondContact N-O 3.45Å; L1628-I1649 PolarHBondContact O-N 2.9Å; I1649-L1651 HydrophobicContact CG2-CD2 4.32Å; I1649-L1651 PolarHBondContact O-N 3.42Å; I1649-L1651 VanDerWaalsContact O-N 3.16Å; I1649-M1777 HydrophobicContact CD1-CE 3.66Å; I1649-M1777 HydrophobicContact CD1-SD 4.21Å; I1649-V1779 HydrophobicContact CD1-CG2 3.93Å |
| 1650 | D | 93.1 | Very high | 90.8 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 16% | 0.16 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 96 | 172.8 | -170 | -41.2 | 0 | 0 | 0 | 110.1 | K1530 K1626 E1652 N1653 R1654 | K1530-D1650 IonicContact NZ-OD1 3.05Å; K1530-D1650 PolarHBondContact NZ-OD1 2.8Å; K1530-D1650 IonicContact NZ-OD2 3.71Å; K1530-D1650 PolarHBondContact NZ-OD2 3.12Å; K1626-D1650 IonicContact NZ-OD2 2.66Å; K1626-D1650 PolarHBondContact NZ-OD2 3.02Å; D1650-E1652 PolarHBondContact O-N 3.44Å; D1650-E1652 WeakPolarHBondContact OD1-CA 3.33Å; D1650-E1652 VanDerWaalsContact OD1-CB 3.29Å; D1650-E1652 WeakPolarHBondContact OD1-CB 3.36Å; D1650-E1652 PolarHBondContact OD1-N 2.98Å; D1650-N1653 HydrophobicContact CB-CB 4.37Å; D1650-N1653 PolarHBondContact O-N 2.91Å; D1650-N1653 PolarHBondContact OD1-N 3.05Å; D1650-R1654 PolarHBondContact O-N 3.36Å |
| 1651 | L | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.9 | -26.8 | 179.8 | -62.6 | 175.8 | 0 | 0 | 0 | 112.9 | L1565 V1592 L1622 K1626 L1628 I1649 R1655 V1779 I1781 | L1565-L1651 HydrophobicContact CD1-CD1 3.47Å; L1565-L1651 VanDerWaalsContact CD1-CD1 3.47Å; L1565-L1651 HydrophobicContact CD2-CD1 3.88Å; L1565-L1651 HydrophobicContact CD2-CD2 4.24Å; L1565-L1651 HydrophobicContact CG-CD1 4.32Å; V1592-L1651 HydrophobicContact CG2-CD1 3.98Å; L1622-L1651 HydrophobicContact CD1-CB 4.22Å; L1622-L1651 HydrophobicContact CD2-CB 3.75Å; L1622-L1651 HydrophobicContact CD2-CD1 4.23Å; K1626-L1651 WeakPolarHBondContact O-CB 3.23Å; K1626-L1651 WeakPolarHBondContact O-CG 3.34Å; K1626-L1651 PolarHBondContact O-N 3.12Å; L1628-L1651 HydrophobicContact CB-CD1 3.89Å; L1628-L1651 HydrophobicContact CB-CD2 4.04Å; L1628-L1651 HydrophobicContact CB-CG 3.86Å; L1628-L1651 HydrophobicContact CD2-CD2 4.05Å; I1649-L1651 HydrophobicContact CG2-CD2 4.32Å; I1649-L1651 PolarHBondContact O-N 3.42Å; I1649-L1651 VanDerWaalsContact O-N 3.16Å; L1651-R1655 VanDerWaalsContact O-CB 3.31Å; L1651-R1655 WeakPolarHBondContact O-CB 3.24Å; L1651-R1655 PolarHBondContact O-N 3.19Å; L1651-V1779 HydrophobicContact CD2-CG1 3.94Å; L1651-I1781 HydrophobicContact CB-CD1 4.29Å; L1651-I1781 HydrophobicContact CD2-CD1 3.95Å; L1651-I1781 HydrophobicContact CD2-CG1 4.44Å |
| 1652 | E | 93.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 2% | 0.023 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.2 | -47.7 | 177.6 | 169.1 | -178.8 | -148 | 0 | 0 | 110.2 | W1310 R1313 K1530 P1623 K1626 D1650 R1654 R1655 L1656 | W1310-E1652 PolarHBondContact NE1-OE1 3.45Å; R1313-E1652 IonicContact CZ-OE1 3.33Å; R1313-E1652 IonicContact CZ-OE2 3.4Å; R1313-E1652 IonicContact NE-OE1 2.73Å; R1313-E1652 IonicContact NE-OE2 2.92Å; R1313-E1652 PolarHBondContact NE-OE2 3.09Å; R1313-E1652 VanDerWaalsContact NH2-CD 3.32Å; R1313-E1652 IonicContact NH2-OE1 3.7Å; R1313-E1652 PolarHBondContact NH2-OE1 3.33Å; R1313-E1652 IonicContact NH2-OE2 3.26Å; R1313-E1652 PolarHBondContact NH2-OE2 3.21Å; K1530-E1652 WeakPolarHBondContact CD-OE2 3.27Å; K1530-E1652 WeakPolarHBondContact CE-OE2 3.35Å; K1530-E1652 IonicContact NZ-OE2 3.93Å; K1530-E1652 PolarHBondContact NZ-OE2 2.62Å; P1623-E1652 HydrophobicContact CB-CB 4.13Å; P1623-E1652 HydrophobicContact CB-CG 3.99Å; P1623-E1652 VanDerWaalsContact CB-OE1 3.31Å; P1623-E1652 WeakPolarHBondContact CB-OE1 3.14Å; P1623-E1652 WeakPolarHBondContact CB-OE2 2.95Å; K1626-E1652 HydrophobicContact CB-CB 3.9Å; K1626-E1652 HydrophobicContact CD-CB 4.35Å; D1650-E1652 PolarHBondContact O-N 3.44Å; D1650-E1652 WeakPolarHBondContact OD1-CA 3.33Å; D1650-E1652 VanDerWaalsContact OD1-CB 3.29Å; D1650-E1652 WeakPolarHBondContact OD1-CB 3.36Å; D1650-E1652 PolarHBondContact OD1-N 2.98Å; E1652-R1654 VanDerWaalsContact C-N 3.28Å; E1652-R1654 PolarHBondContact O-N 3.03Å; E1652-R1655 PolarHBondContact O-N 3.15Å; E1652-L1656 HydrophobicContact CG-CD1 3.5Å; E1652-L1656 HydrophobicContact CG-CG 4.13Å; E1652-L1656 WeakPolarHBondContact O-CB 3.28Å; E1652-L1656 VanDerWaalsContact O-CG 3.31Å; E1652-L1656 WeakPolarHBondContact O-CG 3.25Å; E1652-L1656 PolarHBondContact O-N 2.87Å |
| 1653 | N | 92.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 23.4 Ų | 23.4 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -41.6 | 177.9 | -75.4 | 5.1 | 0 | 0 | 0 | 111.2 | F1503 K1530 D1650 R1655 L1656 T1657 | F1503-N1653 HydrophobicContact CB-CB 4.11Å; K1530-N1653 PolarHBondContact NZ-OD1 3.36Å; D1650-N1653 HydrophobicContact CB-CB 4.37Å; D1650-N1653 PolarHBondContact O-N 2.91Å; D1650-N1653 PolarHBondContact OD1-N 3.05Å; N1653-R1655 VanDerWaalsContact C-N 3.29Å; N1653-R1655 PolarHBondContact O-N 3.05Å; N1653-L1656 PolarHBondContact O-N 3.11Å; N1653-T1657 WeakPolarHBondContact O-CB 2.9Å; N1653-T1657 PolarHBondContact O-N 3.07Å |
| 1654 | R | 93.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -33 | 175 | -70.1 | -164.7 | -178.1 | -169.5 | 1.7 | 113.7 | E1495 F1503 D1650 E1652 T1657 A1661 E1758 I1781 | E1495-R1654 IonicContact OE2-CZ 3.32Å; E1495-R1654 IonicContact OE2-NE 3.64Å; E1495-R1654 IonicContact OE2-NH2 3.67Å; E1495-R1654 PolarHBondContact OE2-NH2 2.86Å; F1503-R1654 HydrophobicContact CD2-CG 4.12Å; F1503-R1654 HydrophobicContact CE2-CG 4.33Å; D1650-R1654 PolarHBondContact O-N 3.36Å; E1652-R1654 VanDerWaalsContact C-N 3.28Å; E1652-R1654 PolarHBondContact O-N 3.03Å; R1654-T1657 WeakPolarHBondContact O-CG2 3.16Å; R1654-A1661 HydrophobicContact CB-CB 4.01Å; R1654-A1661 HydrophobicContact CG-CB 4.06Å; R1654-A1661 CarbonylContact O-C 3.56Å; R1654-E1758 IonicContact CZ-OE1 2.74Å; R1654-E1758 VanDerWaalsContact CZ-OE1 3.26Å; R1654-E1758 IonicContact CZ-OE2 2.8Å; R1654-E1758 IonicContact NH1-OE1 3.33Å; R1654-E1758 PolarHBondContact NH1-OE1 3.41Å; R1654-E1758 IonicContact NH1-OE2 3.96Å; R1654-E1758 IonicContact NH2-OE1 3.87Å; R1654-E1758 PolarHBondContact NH2-OE1 2.85Å; R1654-E1758 IonicContact NH2-OE2 3.12Å; R1654-E1758 PolarHBondContact NH2-OE2 2.67Å; R1654-I1781 HydrophobicContact CB-CD1 3.86Å |
| 1655 | R | 92.8 | Very high | 92.5 | Very high | 66 Ų | 66 | 20.8 Ų | 20.8 | 25% | 0.249 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -76 | -34 | 177.5 | 176.2 | 60.7 | -172.6 | 95.3 | 0.1 | 113.2 | E1561 L1622 L1651 E1652 N1653 | E1561-R1655 IonicContact OE1-NH2 3.89Å; E1561-R1655 IonicContact OE2-CZ 2.95Å; E1561-R1655 IonicContact OE2-NE 2.79Å; E1561-R1655 PolarHBondContact OE2-NE 3.25Å; E1561-R1655 VanDerWaalsContact OE2-NE 3.1Å; E1561-R1655 IonicContact OE2-NH2 3.68Å; E1561-R1655 PolarHBondContact OE2-NH2 3.1Å; L1622-R1655 HydrophobicContact CD1-CB 3.96Å; L1622-R1655 HydrophobicContact CD1-CG 4.18Å; L1651-R1655 VanDerWaalsContact O-CB 3.31Å; L1651-R1655 WeakPolarHBondContact O-CB 3.24Å; L1651-R1655 PolarHBondContact O-N 3.19Å; E1652-R1655 PolarHBondContact O-N 3.15Å; N1653-R1655 VanDerWaalsContact C-N 3.29Å; N1653-R1655 PolarHBondContact O-N 3.05Å |
| 1656 | L | 90.5 | Very high | 92.6 | Very high | 21 Ų | 21 | 21.1 Ų | 21.1 | 11% | 0.11 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -92.1 | -23.6 | -172.9 | -66.2 | 179.3 | 0 | 0 | 0 | 114 | W1310 F1506 V1556 E1652 N1653 | W1310-L1656 HydrophobicContact CZ2-CD1 4.34Å; W1310-L1656 HydrophobicContact CZ2-CD2 4.43Å; F1506-L1656 HydrophobicContact CB-CB 4.13Å; F1506-L1656 HydrophobicContact CD1-CB 4.03Å; F1506-L1656 HydrophobicContact CD1-CD1 3.69Å; F1506-L1656 HydrophobicContact CD1-CG 4.32Å; F1506-L1656 HydrophobicContact CE1-CD1 3.85Å; F1506-L1656 HydrophobicContact CE1-CD2 4.47Å; F1506-L1656 HydrophobicContact CG-CB 4.08Å; V1556-L1656 HydrophobicContact CB-CD2 4.45Å; V1556-L1656 HydrophobicContact CG1-CD2 3.7Å; V1556-L1656 HydrophobicContact CG2-CD2 4.44Å; E1652-L1656 HydrophobicContact CG-CD1 3.5Å; E1652-L1656 HydrophobicContact CG-CG 4.13Å; E1652-L1656 WeakPolarHBondContact O-CB 3.28Å; E1652-L1656 VanDerWaalsContact O-CG 3.31Å; E1652-L1656 WeakPolarHBondContact O-CG 3.25Å; E1652-L1656 PolarHBondContact O-N 2.87Å; N1653-L1656 PolarHBondContact O-N 3.11Å |
| 1657 | T | 91 | Very high | 92.5 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 5% | 0.049 | 11% | 0.109 | C | C | . | . | trans | -61.2 | 138.7 | -177.9 | -177.4 | 0 | 0 | 0 | 0 | 113.4 | F1503 D1505 N1653 R1654 Y1659 R1660 A1661 | F1503-T1657 HydrophobicContact CB-CG2 4.25Å; F1503-T1657 HydrophobicContact CD1-CG2 3.64Å; F1503-T1657 HydrophobicContact CE1-CG2 4.23Å; F1503-T1657 HydrophobicContact CG-CG2 4.07Å; D1505-T1657 WeakPolarHBondContact OD1-CA 3.36Å; D1505-T1657 VanDerWaalsContact OD1-CB 3.24Å; D1505-T1657 WeakPolarHBondContact OD1-CB 3.4Å; D1505-T1657 PolarHBondContact OD1-OG1 3.39Å; N1653-T1657 WeakPolarHBondContact O-CB 2.9Å; N1653-T1657 PolarHBondContact O-N 3.07Å; R1654-T1657 WeakPolarHBondContact O-CG2 3.16Å; T1657-Y1659 PolarHBondContact O-N 3.15Å; T1657-Y1659 WeakPolarHBondContact OG1-CD2 3.34Å; T1657-Y1659 PolarHBondContact OG1-N 3.43Å; T1657-R1660 PolarHBondContact O-N 3.02Å; T1657-R1660 VanDerWaalsContact O-N 3.16Å; T1657-A1661 HydrophobicContact CG2-CB 3.74Å | ||
| 1658 | K | 87 | Confident | 92.3 | Very high | 76 Ų | 76 | 22.2 Ų | 22.2 | 33% | 0.33 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.6 | 172.4 | 75.9 | -166.3 | 179.4 | 176.3 | 0 | 113 | D1505 R1660 Y1694 L1752 | D1505-K1658 HydrophobicContact CB-CD 4.22Å; D1505-K1658 WeakPolarHBondContact OD2-CB 3.17Å; D1505-K1658 WeakPolarHBondContact OD2-CD 3.26Å; D1505-K1658 WeakPolarHBondContact OD2-CG 3.24Å; D1505-K1658 PolarHBondContact OD2-N 3.02Å; K1658-R1660 PolarHBondContact O-N 2.64Å; K1658-Y1694 HydrophobicContact CD-CE1 4.34Å; K1658-Y1694 WeakPolarHBondContact CD-OH 3.37Å; K1658-Y1694 WeakPolarHBondContact CG-OH 3.25Å; K1658-L1752 WeakPolarHBondContact O-CD2 2.97Å |
| 1659 | Y | 90.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 20 Ų | 20 | 6% | 0.063 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -5.2 | 178.3 | -54.9 | -54.3 | 0 | 0 | 0 | 112.8 | G1499 F1500 F1503 D1505 T1657 P1751 L1752 V1753 | G1499-Y1659 VanDerWaalsContact O-CZ 3.27Å; G1499-Y1659 PolarHBondContact O-OH 3.06Å; F1500-Y1659 HydrophobicContact CB-CD2 4.2Å; F1500-Y1659 HydrophobicContact CB-CE2 4.48Å; F1500-Y1659 HydrophobicContact CD1-CD1 4.18Å; F1500-Y1659 HydrophobicContact CD1-CD2 4.09Å; F1500-Y1659 AromaticContact CD1-CG 3.83Å; F1500-Y1659 HydrophobicContact CD1-CG 3.83Å; F1500-Y1659 HydrophobicContact CE1-CG 4.47Å; F1500-Y1659 HydrophobicContact CG-CD2 4.49Å; F1500-Y1659 WeakPolarHBondContact O-CE2 3.39Å; F1503-Y1659 HydrophobicContact CD1-CD2 4.03Å; F1503-Y1659 HydrophobicContact CE1-CD2 4.31Å; D1505-Y1659 HydrophobicContact CB-CE2 4.27Å; T1657-Y1659 PolarHBondContact O-N 3.15Å; T1657-Y1659 WeakPolarHBondContact OG1-CD2 3.34Å; T1657-Y1659 PolarHBondContact OG1-N 3.43Å; Y1659-P1751 WeakPolarHBondContact CD1-O 3.42Å; Y1659-L1752 WeakPolarHBondContact O-CA 2.89Å; Y1659-V1753 PolarHBondContact O-N 3.34Å |
| 1660 | R | 92.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 20 Ų | 20 | 14% | 0.14 | 9% | 0.094 | C | C | . | . | trans | 60.3 | 50 | 173.8 | -159.3 | -176.2 | -172.2 | -114.9 | -8.2 | 113.4 | T1657 K1658 T1662 D1679 I1686 L1752 | T1657-R1660 PolarHBondContact O-N 3.02Å; T1657-R1660 VanDerWaalsContact O-N 3.16Å; K1658-R1660 PolarHBondContact O-N 2.64Å; R1660-T1662 PolarHBondContact O-N 3.28Å; R1660-D1679 IonicContact CZ-OD2 3.98Å; R1660-D1679 IonicContact NH1-OD2 2.87Å; R1660-D1679 PolarHBondContact NH1-OD2 3.16Å; R1660-D1679 VanDerWaalsContact NH2-CG 3.33Å; R1660-D1679 IonicContact NH2-OD1 2.66Å; R1660-D1679 PolarHBondContact NH2-OD1 2.85Å; R1660-D1679 IonicContact NH2-OD2 2.57Å; R1660-D1679 PolarHBondContact NH2-OD2 2.79Å; R1660-I1686 VanDerWaalsContact CZ-CD1 3.46Å; R1660-I1686 VanDerWaalsContact CZ-CG2 3.45Å; R1660-I1686 VanDerWaalsContact NH1-CD1 3.25Å; R1660-I1686 VanDerWaalsContact NH2-CD1 3.26Å; R1660-I1686 VanDerWaalsContact NH2-CG1 3.28Å; R1660-L1752 HydrophobicContact CB-CD2 4.18Å | ||
| 1661 | A | 93.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 2% | 0.017 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 29.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1494 F1503 R1654 T1657 V1753 | L1494-A1661 HydrophobicContact CD2-CB 4.17Å; F1503-A1661 HydrophobicContact CD1-CB 4.3Å; F1503-A1661 HydrophobicContact CD2-CB 4.39Å; F1503-A1661 HydrophobicContact CE1-CB 3.83Å; F1503-A1661 HydrophobicContact CE2-CB 3.93Å; F1503-A1661 HydrophobicContact CZ-CB 3.63Å; R1654-A1661 HydrophobicContact CB-CB 4.01Å; R1654-A1661 HydrophobicContact CG-CB 4.06Å; R1654-A1661 CarbonylContact O-C 3.56Å; T1657-A1661 HydrophobicContact CG2-CB 3.74Å; A1661-V1753 HydrophobicContact CB-CG2 3.87Å |
| 1662 | T | 93.6 | Very high | 91.4 | Very high | 15 Ų | 15 | 24.1 Ų | 24.1 | 9% | 0.092 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -46.4 | -178.6 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | R1660 D1780 I1781 | R1660-T1662 PolarHBondContact O-N 3.28Å; T1662-D1780 CarbonylContact O-C 3.58Å; T1662-D1780 WeakPolarHBondContact O-CA 3.46Å; T1662-I1781 HydrophobicContact CG2-CB 4.3Å; T1662-I1781 PolarHBondContact O-N 3.03Å |
| 1663 | C | 93.7 | Very high | 90.8 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -148 | 117.1 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 107.8 | D1780 F1782 | C1663-D1780 WeakPolarHBondContact CA-OD1 3.44Å; C1663-D1780 PolarHBondContact SG-OD1 3.36Å; C1663-D1780 VanDerWaalsContact SG-OD1 3.35Å; C1663-F1782 HydrophobicContact CB-CE1 3.94Å; C1663-F1782 HydrophobicContact CB-CZ 4.33Å |
| 1664 | G | 92.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 139.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1666 K1754 | G1664-P1666 WeakPolarHBondContact O-CD 3.38Å; G1664-K1754 WeakPolarHBondContact CA-O 3.47Å |
| 1665 | L | 94 | Very high | 89.8 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 119.3 | -177.1 | -64.2 | 173.4 | 0 | 0 | 0 | 112.7 | W1677 L1744 L1747 L1752 V1753 E1755 | L1665-W1677 HydrophobicContact CD2-CH2 4.11Å; L1665-L1744 HydrophobicContact CB-CD1 4.21Å; L1665-L1744 HydrophobicContact CD2-CD1 3.95Å; L1665-L1747 HydrophobicContact CD1-CB 3.78Å; L1665-L1747 HydrophobicContact CD2-CD1 4.42Å; L1665-L1752 HydrophobicContact CD1-CB 3.83Å; L1665-L1752 HydrophobicContact CD1-CD1 3.87Å; L1665-V1753 PolarHBondContact N-O 2.94Å; L1665-V1753 VanDerWaalsContact N-O 3.1Å; L1665-E1755 WeakPolarHBondContact O-CB 3.16Å; L1665-E1755 PolarHBondContact O-N 3.09Å |
| 1666 | P | 92.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 26 Ų | 26 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 160.9 | 171 | 27.9 | -33.6 | 0 | 0 | 0 | 111.3 | G1664 W1677 L1744 N1748 E1755 | G1664-P1666 WeakPolarHBondContact O-CD 3.38Å; P1666-W1677 HydrophobicContact CG-CE3 3.74Å; P1666-W1677 HydrophobicContact CG-CZ3 3.67Å; P1666-L1744 HydrophobicContact CG-CD2 4.13Å; P1666-L1744 WeakPolarHBondContact O-CD2 3.38Å; P1666-N1748 PolarHBondContact O-ND2 2.82Å; P1666-E1755 WeakPolarHBondContact CB-OE2 3.4Å |
| 1667 | Q | 89.8 | Confident | 89.7 | Confident | 79 Ų | 79 | 26.1 Ų | 26.1 | 37% | 0.369 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -69.5 | -40.5 | -179.3 | -54.6 | -178.3 | 18.1 | 0 | 0 | 111.9 | D1485 T1486 N1748 | D1485-Q1667 HydrophobicContact CB-CB 3.99Å; D1485-Q1667 HydrophobicContact CB-CG 4.19Å; T1486-Q1667 PolarHBondContact O-NE2 3.3Å; T1486-Q1667 PolarHBondContact OG1-NE2 3.35Å; Q1667-N1748 PolarHBondContact O-ND2 2.93Å |
| 1668 | S | 89.9 | Confident | 89.8 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -123.2 | 144.8 | -178.5 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | D1485 C1670 L1744 | D1485-S1668 WeakPolarHBondContact OD1-CB 3.15Å; D1485-S1668 PolarHBondContact OD1-OG 3Å; D1485-S1668 WeakPolarHBondContact OD2-CA 3.27Å; D1485-S1668 WeakPolarHBondContact OD2-CB 3.49Å; D1485-S1668 PolarHBondContact OD2-N 3.44Å; D1485-S1668 PolarHBondContact OD2-OG 3.15Å; S1668-C1670 PolarHBondContact O-N 2.68Å; S1668-L1744 VanDerWaalsContact C-CD2 3.44Å |
| 1669 | Y | 92.5 | Very high | 90 | Very high | 17 Ų | 17 | 23.3 Ų | 23.3 | 7% | 0.067 | 13% | 0.131 | C | C | . | . | trans | -87.4 | 107.9 | 179.9 | 177.5 | -103.8 | 0 | 0 | 0 | 110.4 | V1671 W1677 L1682 P1683 G1736 P1737 E1740 R1741 L1744 | Y1669-V1671 HydrophobicContact CE1-CG1 3.91Å; Y1669-W1677 HydrophobicContact CD2-CB 4.13Å; Y1669-W1677 AromaticContact CD2-CD2 3.72Å; Y1669-W1677 HydrophobicContact CD2-CD2 3.72Å; Y1669-W1677 AromaticContact CD2-CE3 3.58Å; Y1669-W1677 HydrophobicContact CD2-CE3 3.58Å; Y1669-W1677 AromaticContact CD2-CG 3.99Å; Y1669-W1677 HydrophobicContact CD2-CG 3.99Å; Y1669-W1677 HydrophobicContact CD2-CZ3 4.24Å; Y1669-W1677 HydrophobicContact CE2-CB 3.72Å; Y1669-W1677 AromaticContact CE2-CD1 3.99Å; Y1669-W1677 AromaticContact CE2-CD2 3.6Å; Y1669-W1677 HydrophobicContact CE2-CD2 3.6Å; Y1669-W1677 AromaticContact CE2-CE3 3.99Å; Y1669-W1677 HydrophobicContact CE2-CE3 3.99Å; Y1669-W1677 AromaticContact CE2-CG 3.48Å; Y1669-W1677 HydrophobicContact CE2-CG 3.48Å; Y1669-W1677 VanDerWaalsContact CE2-CG 3.48Å; Y1669-L1682 WeakPolarHBondContact OH-CD2 3.28Å; Y1669-P1683 HydrophobicContact CD2-CG 3.46Å; Y1669-P1683 VanDerWaalsContact CD2-CG 3.46Å; Y1669-P1683 HydrophobicContact CE2-CG 3.71Å; Y1669-P1683 HydrophobicContact CG-CG 4.17Å; Y1669-G1736 PolarHBondContact O-N 2.52Å; Y1669-P1737 HydrophobicContact CE1-CG 4.18Å; Y1669-E1740 HydrophobicContact CD1-CB 3.64Å; Y1669-E1740 HydrophobicContact CD2-CB 4.49Å; Y1669-E1740 HydrophobicContact CE1-CB 3.52Å; Y1669-E1740 HydrophobicContact CE1-CG 4.14Å; Y1669-E1740 HydrophobicContact CE2-CB 4.4Å; Y1669-E1740 HydrophobicContact CG-CB 4.13Å; Y1669-R1741 HydrophobicContact CD1-CG 4.23Å; Y1669-L1744 VanDerWaalsContact N-CD2 3.35Å | ||
| 1670 | C | 90.7 | Very high | 90 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -112.8 | 139.9 | 178 | -56 | 0 | 0 | 0 | 0 | 111.6 | S1668 N1675 W1677 H1734 | S1668-C1670 PolarHBondContact O-N 2.68Å; C1670-N1675 HydrophobicContact CB-CB 4.18Å; C1670-N1675 WeakPolarHBondContact CB-O 3.43Å; C1670-W1677 PolarHBondContact O-N 2.84Å; C1670-H1734 CarbonylContact C-O 3.54Å; C1670-H1734 WeakPolarHBondContact CA-O 3.43Å; C1670-H1734 HydrophobicContact CB-CB 4.06Å; C1670-H1734 WeakPolarHBondContact CB-O 3.04Å |
| 1671 | V | 88.4 | Confident | 89.9 | Confident | 70 Ų | 70 | 25.2 Ų | 25.2 | 42% | 0.424 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -96.2 | -11.2 | 179.3 | -67.7 | 0 | 0 | 0 | 0 | 113.2 | Y1669 Q1676 H1734 | Y1669-V1671 HydrophobicContact CE1-CG1 3.91Å; V1671-Q1676 PolarHBondContact O-NE2 3.14Å; V1671-H1734 PolarHBondContact N-O 3.45Å |
| 1672 | S | 85.6 | Confident | 90 | Very high | 47 Ų | 47 | 28.2 Ų | 28.2 | 33% | 0.329 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -149.9 | 178.4 | 177.4 | 62.6 | 0 | 0 | 0 | 0 | 110.6 | H1734 | S1672-H1734 WeakPolarHBondContact O-CB 3.21Å; S1672-H1734 PolarHBondContact OG-ND1 3.17Å |
| 1673 | G | 80.2 | Confident | 90.1 | Very high | 32 Ų | 32 | 27.5 Ų | 27.5 | 33% | 0.33 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 77.1 | -170.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1675 Q1676 | G1673-N1675 PolarHBondContact O-N 3.32Å; G1673-N1675 VanDerWaalsContact O-N 3.12Å; G1673-Q1676 WeakPolarHBondContact O-CB 3.14Å; G1673-Q1676 PolarHBondContact O-N 2.9Å; G1673-Q1676 VanDerWaalsContact O-N 3.15Å |
| 1674 | P | 79.4 | Confident | 90.2 | Very high | 23 Ų | 23 | 27.9 Ų | 27.9 | 15% | 0.149 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.7 | -172.5 | 30.1 | -39.5 | 0 | 0 | 0 | 113.9 | I1460 Y1479 Y1484 F1793 | I1460-P1674 HydrophobicContact CG2-CB 4.32Å; I1460-P1674 HydrophobicContact CG2-CG 3.89Å; Y1479-P1674 HydrophobicContact CE2-CB 4.33Å; Y1479-P1674 HydrophobicContact CE2-CG 4.04Å; Y1484-P1674 HydrophobicContact CD2-CG 4.28Å; Y1484-P1674 HydrophobicContact CE2-CG 4.24Å; P1674-F1793 VanDerWaalsContact O-CE1 3.24Å; P1674-F1793 WeakPolarHBondContact O-CE1 3.41Å |
| 1675 | N | 86.2 | Confident | 90.3 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 20 | 179.6 | -66.9 | -30 | 0 | 0 | 0 | 112.6 | K1465 Y1479 C1670 G1673 W1677 | K1465-N1675 VanDerWaalsContact CD-OD1 3.23Å; K1465-N1675 WeakPolarHBondContact CD-OD1 3.41Å; K1465-N1675 WeakPolarHBondContact CE-OD1 3.48Å; K1465-N1675 PolarHBondContact NZ-OD1 3.3Å; Y1479-N1675 VanDerWaalsContact OH-CG 3.27Å; Y1479-N1675 PolarHBondContact OH-ND2 2.75Å; Y1479-N1675 PolarHBondContact OH-OD1 2.78Å; C1670-N1675 HydrophobicContact CB-CB 4.18Å; C1670-N1675 WeakPolarHBondContact CB-O 3.43Å; G1673-N1675 PolarHBondContact O-N 3.32Å; G1673-N1675 VanDerWaalsContact O-N 3.12Å; N1675-W1677 PolarHBondContact O-N 3.24Å |
| 1676 | Q | 89.2 | Confident | 90.3 | Very high | 72 Ų | 72 | 32 Ų | 32 | 34% | 0.336 | 18% | 0.175 | S | C | . | . | B | Isolated β-bridge | trans | -56 | 134.3 | -178.5 | -176.2 | 173.2 | 13 | 0 | 0 | 111.8 | V1671 G1673 R1678 P1791 | V1671-Q1676 PolarHBondContact O-NE2 3.14Å; G1673-Q1676 WeakPolarHBondContact O-CB 3.14Å; G1673-Q1676 PolarHBondContact O-N 2.9Å; G1673-Q1676 VanDerWaalsContact O-N 3.15Å; Q1676-R1678 WeakPolarHBondContact O-CG 3.4Å; Q1676-R1678 PolarHBondContact O-N 3.02Å; Q1676-P1791 HydrophobicContact CG-CG 4.24Å |
| 1677 | W | 92.1 | Very high | 90.4 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | trans | -58.1 | 129.8 | 177.2 | -174 | -100.3 | 0 | 0 | 0 | 112.5 | L1665 P1666 Y1669 C1670 N1675 D1679 K1681 P1683 I1686 L1744 | L1665-W1677 HydrophobicContact CD2-CH2 4.11Å; P1666-W1677 HydrophobicContact CG-CE3 3.74Å; P1666-W1677 HydrophobicContact CG-CZ3 3.67Å; Y1669-W1677 HydrophobicContact CD2-CB 4.13Å; Y1669-W1677 AromaticContact CD2-CD2 3.72Å; Y1669-W1677 HydrophobicContact CD2-CD2 3.72Å; Y1669-W1677 AromaticContact CD2-CE3 3.58Å; Y1669-W1677 HydrophobicContact CD2-CE3 3.58Å; Y1669-W1677 AromaticContact CD2-CG 3.99Å; Y1669-W1677 HydrophobicContact CD2-CG 3.99Å; Y1669-W1677 HydrophobicContact CD2-CZ3 4.24Å; Y1669-W1677 HydrophobicContact CE2-CB 3.72Å; Y1669-W1677 AromaticContact CE2-CD1 3.99Å; Y1669-W1677 AromaticContact CE2-CD2 3.6Å; Y1669-W1677 HydrophobicContact CE2-CD2 3.6Å; Y1669-W1677 AromaticContact CE2-CE3 3.99Å; Y1669-W1677 HydrophobicContact CE2-CE3 3.99Å; Y1669-W1677 AromaticContact CE2-CG 3.48Å; Y1669-W1677 HydrophobicContact CE2-CG 3.48Å; Y1669-W1677 VanDerWaalsContact CE2-CG 3.48Å; C1670-W1677 PolarHBondContact O-N 2.84Å; N1675-W1677 PolarHBondContact O-N 3.24Å; W1677-D1679 HydrophobicContact CD2-CB 4.45Å; W1677-D1679 VanDerWaalsContact CE2-CB 3.5Å; W1677-D1679 HydrophobicContact CH2-CB 4.39Å; W1677-D1679 HydrophobicContact CZ2-CB 3.46Å; W1677-D1679 VanDerWaalsContact CZ2-CB 3.46Å; W1677-D1679 PolarHBondContact NE1-O 2.89Å; W1677-K1681 WeakPolarHBondContact CZ2-O 3.04Å; W1677-K1681 PolarHBondContact NE1-O 3.08Å; W1677-P1683 HydrophobicContact CD2-CG 4.48Å; W1677-P1683 HydrophobicContact CE3-CG 4.39Å; W1677-P1683 HydrophobicContact CH2-CG 3.76Å; W1677-P1683 HydrophobicContact CZ2-CG 3.84Å; W1677-P1683 HydrophobicContact CZ3-CG 4.02Å; W1677-I1686 HydrophobicContact CH2-CD1 3.96Å; W1677-I1686 HydrophobicContact CZ2-CD1 3.55Å; W1677-L1744 HydrophobicContact CH2-CD1 4.05Å; W1677-L1744 HydrophobicContact CZ3-CD1 3.74Å; W1677-L1744 HydrophobicContact CZ3-CD2 3.96Å; W1677-L1744 HydrophobicContact CZ3-CG 4.45Å | ||
| 1678 | R | 91.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 4% | 0.038 | 17% | 0.174 | C | C | . | . | trans | -108.7 | -20.3 | -174.7 | -53.7 | -167.8 | -52.3 | -72.3 | 3.9 | 114.5 | Q1676 E1755 D1780 G1790 F1793 | Q1676-R1678 WeakPolarHBondContact O-CG 3.4Å; Q1676-R1678 PolarHBondContact O-N 3.02Å; R1678-E1755 IonicContact NH1-OE1 2.76Å; R1678-E1755 PolarHBondContact NH1-OE1 3.25Å; R1678-E1755 VanDerWaalsContact NH1-OE1 3.12Å; R1678-D1780 IonicContact CZ-OD2 3.9Å; R1678-D1780 IonicContact NE-OD2 3.77Å; R1678-D1780 PolarHBondContact NE-OD2 3.46Å; R1678-D1780 IonicContact NH2-OD1 2.7Å; R1678-D1780 IonicContact NH2-OD2 3.8Å; R1678-D1780 PolarHBondContact NH2-OD2 2.76Å; R1678-D1780 VanDerWaalsContact NH2-OD2 3.15Å; R1678-G1790 WeakPolarHBondContact O-CA 3.28Å; R1678-G1790 PolarHBondContact O-N 2.93Å; R1678-F1793 HydrophobicContact CG-CE1 4.47Å; R1678-F1793 HydrophobicContact CG-CZ 4.41Å | ||
| 1679 | D | 91.7 | Very high | 90.5 | Very high | 16 Ų | 16 | 33 Ų | 33 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | trans | -68.6 | 141.9 | -174.2 | -156.9 | -52.9 | 0 | 0 | 0 | 111.2 | R1660 W1677 K1681 | R1660-D1679 IonicContact CZ-OD2 3.98Å; R1660-D1679 IonicContact NH1-OD2 2.87Å; R1660-D1679 PolarHBondContact NH1-OD2 3.16Å; R1660-D1679 VanDerWaalsContact NH2-CG 3.33Å; R1660-D1679 IonicContact NH2-OD1 2.66Å; R1660-D1679 PolarHBondContact NH2-OD1 2.85Å; R1660-D1679 IonicContact NH2-OD2 2.57Å; R1660-D1679 PolarHBondContact NH2-OD2 2.79Å; W1677-D1679 HydrophobicContact CD2-CB 4.45Å; W1677-D1679 VanDerWaalsContact CE2-CB 3.5Å; W1677-D1679 HydrophobicContact CH2-CB 4.39Å; W1677-D1679 HydrophobicContact CZ2-CB 3.46Å; W1677-D1679 VanDerWaalsContact CZ2-CB 3.46Å; W1677-D1679 PolarHBondContact NE1-O 2.89Å; D1679-K1681 PolarHBondContact O-N 2.88Å; D1679-K1681 PolarHBondContact OD1-N 2.74Å | ||
| 1680 | S | 90.5 | Very high | 90.3 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -64.1 | -24.3 | 174.6 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | P1789 | S1680-P1789 VanDerWaalsContact OG-CA 3.32Å; S1680-P1789 WeakPolarHBondContact OG-CA 3.26Å |
| 1681 | K | 92.1 | Very high | 90.1 | Very high | 62 Ų | 62 | 32.9 Ų | 32.9 | 27% | 0.27 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -100.3 | 147.6 | 177.4 | -68.9 | -172.1 | 175.8 | -177.5 | 0 | 112 | W1677 D1679 E1685 I1686 L1786 | W1677-K1681 WeakPolarHBondContact CZ2-O 3.04Å; W1677-K1681 PolarHBondContact NE1-O 3.08Å; D1679-K1681 PolarHBondContact O-N 2.88Å; D1679-K1681 PolarHBondContact OD1-N 2.74Å; K1681-E1685 WeakPolarHBondContact CA-OE2 3.45Å; K1681-E1685 HydrophobicContact CB-CB 4.31Å; K1681-I1686 HydrophobicContact CB-CD1 4.16Å; K1681-I1686 HydrophobicContact CB-CG1 3.73Å; K1681-I1686 HydrophobicContact CD-CG1 4.47Å; K1681-L1786 HydrophobicContact CD-CD1 4.44Å; K1681-L1786 HydrophobicContact CG-CD1 4.45Å |
| 1682 | L | 93.9 | Very high | 89.9 | Confident | 66 Ų | 66 | 34.4 Ų | 34.4 | 35% | 0.346 | 19% | 0.194 | S | C | . | . | trans | -73 | 150.6 | 169.4 | -66.2 | 175.1 | 0 | 0 | 0 | 110.9 | Y1669 S1684 E1685 I1686 | Y1669-L1682 WeakPolarHBondContact OH-CD2 3.28Å; L1682-S1684 PolarHBondContact O-N 3.42Å; L1682-S1684 VanDerWaalsContact O-N 3.13Å; L1682-E1685 HydrophobicContact CB-CG 4.18Å; L1682-E1685 PolarHBondContact N-OE2 3.02Å; L1682-E1685 WeakPolarHBondContact O-CB 3.37Å; L1682-E1685 PolarHBondContact O-N 2.8Å; L1682-I1686 WeakPolarHBondContact O-CG1 3.04Å; L1682-I1686 PolarHBondContact O-N 3.07Å; L1682-I1686 VanDerWaalsContact O-N 3.09Å | ||
| 1683 | P | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -49.3 | -39 | 176.4 | -31 | 36.4 | 0 | 0 | 0 | 114.7 | Y1669 W1677 I1686 L1687 E1740 A1743 L1744 L1747 | Y1669-P1683 HydrophobicContact CD2-CG 3.46Å; Y1669-P1683 VanDerWaalsContact CD2-CG 3.46Å; Y1669-P1683 HydrophobicContact CE2-CG 3.71Å; Y1669-P1683 HydrophobicContact CG-CG 4.17Å; W1677-P1683 HydrophobicContact CD2-CG 4.48Å; W1677-P1683 HydrophobicContact CE3-CG 4.39Å; W1677-P1683 HydrophobicContact CH2-CG 3.76Å; W1677-P1683 HydrophobicContact CZ2-CG 3.84Å; W1677-P1683 HydrophobicContact CZ3-CG 4.02Å; P1683-I1686 PolarHBondContact O-N 2.93Å; P1683-L1687 WeakPolarHBondContact O-CB 3.33Å; P1683-L1687 PolarHBondContact O-N 3.45Å; P1683-E1740 HydrophobicContact CB-CB 4.44Å; P1683-E1740 WeakPolarHBondContact CB-O 3.04Å; P1683-E1740 HydrophobicContact CG-CB 4.14Å; P1683-A1743 HydrophobicContact CB-CB 3.84Å; P1683-L1744 HydrophobicContact CB-CB 4.02Å; P1683-L1744 HydrophobicContact CG-CB 4.21Å; P1683-L1747 HydrophobicContact CB-CD1 4.44Å; P1683-L1747 WeakPolarHBondContact O-CD1 3.49Å |
| 1684 | S | 95.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68 | -33 | 177.4 | 57.7 | 0 | 0 | 0 | 0 | 114 | L1682 L1688 Y1701 K1739 E1740 | L1682-S1684 PolarHBondContact O-N 3.42Å; L1682-S1684 VanDerWaalsContact O-N 3.13Å; S1684-L1688 PolarHBondContact O-N 2.7Å; S1684-L1688 VanDerWaalsContact O-N 3.11Å; S1684-Y1701 VanDerWaalsContact CB-OH 3.26Å; S1684-Y1701 WeakPolarHBondContact CB-OH 3.19Å; S1684-K1739 PolarHBondContact OG-NZ 3Å; S1684-E1740 VanDerWaalsContact CB-OE2 3.24Å; S1684-E1740 WeakPolarHBondContact CB-OE2 3.16Å; S1684-E1740 PolarHBondContact N-OE2 2.88Å; S1684-E1740 VanDerWaalsContact OG-CD 3.24Å; S1684-E1740 PolarHBondContact OG-OE1 2.88Å; S1684-E1740 PolarHBondContact OG-OE2 2.78Å |
| 1685 | E | 94.5 | Very high | 89.2 | Confident | 93 Ų | 93 | 35.7 Ų | 35.7 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.5 | -35 | 175.3 | -60.9 | 172.6 | 154 | 0 | 0 | 111.3 | K1681 L1682 A1689 | K1681-E1685 WeakPolarHBondContact CA-OE2 3.45Å; K1681-E1685 HydrophobicContact CB-CB 4.31Å; L1682-E1685 HydrophobicContact CB-CG 4.18Å; L1682-E1685 PolarHBondContact N-OE2 3.02Å; L1682-E1685 WeakPolarHBondContact O-CB 3.37Å; L1682-E1685 PolarHBondContact O-N 2.8Å; E1685-A1689 PolarHBondContact O-N 3.27Å; E1685-A1689 VanDerWaalsContact O-N 3.08Å |
| 1686 | I | 94 | Very high | 89 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.4 | -46.6 | 175.4 | -62.4 | 161.7 | 0 | 0 | 0 | 110 | R1660 W1677 K1681 L1682 P1683 L1688 A1689 V1690 L1747 | R1660-I1686 VanDerWaalsContact CZ-CD1 3.46Å; R1660-I1686 VanDerWaalsContact CZ-CG2 3.45Å; R1660-I1686 VanDerWaalsContact NH1-CD1 3.25Å; R1660-I1686 VanDerWaalsContact NH2-CD1 3.26Å; R1660-I1686 VanDerWaalsContact NH2-CG1 3.28Å; W1677-I1686 HydrophobicContact CH2-CD1 3.96Å; W1677-I1686 HydrophobicContact CZ2-CD1 3.55Å; K1681-I1686 HydrophobicContact CB-CD1 4.16Å; K1681-I1686 HydrophobicContact CB-CG1 3.73Å; K1681-I1686 HydrophobicContact CD-CG1 4.47Å; L1682-I1686 WeakPolarHBondContact O-CG1 3.04Å; L1682-I1686 PolarHBondContact O-N 3.07Å; L1682-I1686 VanDerWaalsContact O-N 3.09Å; P1683-I1686 PolarHBondContact O-N 2.93Å; I1686-L1688 VanDerWaalsContact C-N 3.27Å; I1686-L1688 PolarHBondContact O-N 2.89Å; I1686-A1689 PolarHBondContact O-N 2.74Å; I1686-A1689 VanDerWaalsContact O-N 3.16Å; I1686-V1690 HydrophobicContact CG2-CG2 4.33Å; I1686-V1690 WeakPolarHBondContact O-CG2 3.49Å; I1686-V1690 PolarHBondContact O-N 3.01Å; I1686-L1747 HydrophobicContact CB-CD1 3.87Å; I1686-L1747 HydrophobicContact CG2-CD1 3.69Å; I1686-L1747 HydrophobicContact CG2-CD2 3.86Å; I1686-L1747 HydrophobicContact CG2-CG 4.46Å |
| 1687 | L | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -39.4 | 177.5 | -176 | 61.9 | 0 | 0 | 0 | 111.8 | P1683 V1690 C1691 P1699 V1715 A1743 I1746 L1747 | P1683-L1687 WeakPolarHBondContact O-CB 3.33Å; P1683-L1687 PolarHBondContact O-N 3.45Å; L1687-V1690 PolarHBondContact O-N 2.95Å; L1687-C1691 PolarHBondContact O-N 3.16Å; L1687-C1691 PolarHBondContact O-SG 3.11Å; L1687-P1699 HydrophobicContact CB-CG 4.43Å; L1687-P1699 HydrophobicContact CD2-CB 4.12Å; L1687-P1699 HydrophobicContact CD2-CG 3.98Å; L1687-P1699 HydrophobicContact CG-CB 4.41Å; L1687-P1699 HydrophobicContact CG-CG 3.72Å; L1687-V1715 HydrophobicContact CD2-CG2 4.07Å; L1687-A1743 HydrophobicContact CD2-CB 4.33Å; L1687-I1746 HydrophobicContact CD1-CB 4.42Å; L1687-I1746 HydrophobicContact CD1-CG2 3.73Å; L1687-I1746 HydrophobicContact CD2-CB 4.32Å; L1687-I1746 HydrophobicContact CD2-CD1 4Å; L1687-I1746 HydrophobicContact CD2-CG2 4.22Å; L1687-L1747 HydrophobicContact CB-CD2 4.17Å; L1687-L1747 HydrophobicContact CB-CG 4.27Å; L1687-L1747 HydrophobicContact CD1-CD2 3.97Å; L1687-L1747 HydrophobicContact CD1-CG 4.29Å |
| 1688 | L | 93.7 | Very high | 88.5 | Confident | 73 Ų | 73 | 38 Ų | 38 | 38% | 0.382 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 173.2 | 179.4 | 64.4 | 0 | 0 | 0 | 111.6 | S1684 I1686 V1690 C1691 D1692 A1698 | S1684-L1688 PolarHBondContact O-N 2.7Å; S1684-L1688 VanDerWaalsContact O-N 3.11Å; I1686-L1688 VanDerWaalsContact C-N 3.27Å; I1686-L1688 PolarHBondContact O-N 2.89Å; L1688-V1690 VanDerWaalsContact C-N 3.32Å; L1688-V1690 PolarHBondContact O-N 2.84Å; L1688-C1691 WeakPolarHBondContact O-CB 3.15Å; L1688-C1691 PolarHBondContact O-N 3.05Å; L1688-C1691 VanDerWaalsContact O-N 3.14Å; L1688-D1692 PolarHBondContact O-N 3.16Å; L1688-A1698 HydrophobicContact CD1-CB 3.64Å |
| 1689 | A | 88.8 | Confident | 88.5 | Confident | 40 Ų | 40 | 38.5 Ų | 38.5 | 33% | 0.331 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -36.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | E1685 I1686 D1692 S1693 | E1685-A1689 PolarHBondContact O-N 3.27Å; E1685-A1689 VanDerWaalsContact O-N 3.08Å; I1686-A1689 PolarHBondContact O-N 2.74Å; I1686-A1689 VanDerWaalsContact O-N 3.16Å; A1689-D1692 PolarHBondContact O-N 3.42Å; A1689-S1693 PolarHBondContact O-N 3.4Å |
| 1690 | V | 88.4 | Confident | 88.5 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 110 | I1686 L1687 L1688 D1692 S1693 Y1694 L1747 L1750 L1752 | I1686-V1690 HydrophobicContact CG2-CG2 4.33Å; I1686-V1690 WeakPolarHBondContact O-CG2 3.49Å; I1686-V1690 PolarHBondContact O-N 3.01Å; L1687-V1690 PolarHBondContact O-N 2.95Å; L1688-V1690 VanDerWaalsContact C-N 3.32Å; L1688-V1690 PolarHBondContact O-N 2.84Å; V1690-D1692 VanDerWaalsContact C-N 3.31Å; V1690-D1692 PolarHBondContact O-N 3.43Å; V1690-S1693 PolarHBondContact O-N 3.36Å; V1690-S1693 VanDerWaalsContact O-N 3.17Å; V1690-S1693 PolarHBondContact O-OG 3.39Å; V1690-Y1694 HydrophobicContact CG1-CD2 3.88Å; V1690-Y1694 HydrophobicContact CG1-CE2 3.98Å; V1690-Y1694 VanDerWaalsContact O-CD2 3.3Å; V1690-Y1694 WeakPolarHBondContact O-CD2 3.23Å; V1690-Y1694 PolarHBondContact O-N 3.14Å; V1690-Y1694 VanDerWaalsContact O-N 3.15Å; V1690-L1747 HydrophobicContact CG2-CD2 4.07Å; V1690-L1750 HydrophobicContact CG1-CD1 3.81Å; V1690-L1752 HydrophobicContact CG2-CD1 4.14Å |
| 1691 | C | 87 | Confident | 88.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 176.2 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | L1687 L1688 S1693 Y1694 S1695 L1696 V1715 | L1687-C1691 PolarHBondContact O-N 3.16Å; L1687-C1691 PolarHBondContact O-SG 3.11Å; L1688-C1691 WeakPolarHBondContact O-CB 3.15Å; L1688-C1691 PolarHBondContact O-N 3.05Å; L1688-C1691 VanDerWaalsContact O-N 3.14Å; C1691-S1693 VanDerWaalsContact C-N 3.33Å; C1691-S1693 PolarHBondContact O-N 3.42Å; C1691-Y1694 CarbonylContact O-C 3.52Å; C1691-Y1694 PolarHBondContact O-N 3.27Å; C1691-S1695 PolarHBondContact O-N 3.09Å; C1691-S1695 VanDerWaalsContact O-N 3.07Å; C1691-L1696 HydrophobicContact CB-CB 3.99Å; C1691-L1696 PolarHBondContact O-N 2.85Å; C1691-V1715 WeakPolarHBondContact SG-CG1 3.48Å |
| 1692 | D | 82.7 | Confident | 87.9 | Confident | 101 Ų | 101 | 43.9 Ų | 43.9 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 177.2 | -66.6 | -22.2 | 0 | 0 | 0 | 111.7 | L1688 A1689 V1690 Y1694 S1695 | L1688-D1692 PolarHBondContact O-N 3.16Å; A1689-D1692 PolarHBondContact O-N 3.42Å; V1690-D1692 VanDerWaalsContact C-N 3.31Å; V1690-D1692 PolarHBondContact O-N 3.43Å; D1692-Y1694 VanDerWaalsContact C-N 3.29Å; D1692-Y1694 PolarHBondContact O-N 2.91Å; D1692-S1695 PolarHBondContact O-N 3.35Å; D1692-S1695 VanDerWaalsContact O-N 3.09Å |
| 1693 | S | 78.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 49.1 Ų | 49.1 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.7 | -30.7 | 179.6 | 74 | 0 | 0 | 0 | 0 | 113.9 | A1689 V1690 C1691 | A1689-S1693 PolarHBondContact O-N 3.4Å; V1690-S1693 PolarHBondContact O-N 3.36Å; V1690-S1693 VanDerWaalsContact O-N 3.17Å; V1690-S1693 PolarHBondContact O-OG 3.39Å; C1691-S1693 VanDerWaalsContact C-N 3.33Å; C1691-S1693 PolarHBondContact O-N 3.42Å |
| 1694 | Y | 77.2 | Confident | 85.4 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7 | 176.5 | -71.6 | -77.9 | 0 | 0 | 0 | 113.1 | M1412 L1417 K1658 V1690 C1691 D1692 L1696 | M1412-Y1694 HydrophobicContact CB-CD1 4.39Å; M1412-Y1694 HydrophobicContact SD-CE1 4.19Å; L1417-Y1694 HydrophobicContact CD1-CD1 4.07Å; L1417-Y1694 HydrophobicContact CD1-CD2 4.05Å; L1417-Y1694 HydrophobicContact CD1-CE1 4.26Å; L1417-Y1694 HydrophobicContact CD1-CE2 4.26Å; L1417-Y1694 HydrophobicContact CD1-CG 3.97Å; L1417-Y1694 HydrophobicContact CD2-CD1 4.2Å; L1417-Y1694 HydrophobicContact CD2-CE1 3.65Å; L1417-Y1694 HydrophobicContact CD2-CE2 4.43Å; K1658-Y1694 HydrophobicContact CD-CE1 4.34Å; K1658-Y1694 WeakPolarHBondContact CD-OH 3.37Å; K1658-Y1694 WeakPolarHBondContact CG-OH 3.25Å; V1690-Y1694 HydrophobicContact CG1-CD2 3.88Å; V1690-Y1694 HydrophobicContact CG1-CE2 3.98Å; V1690-Y1694 VanDerWaalsContact O-CD2 3.3Å; V1690-Y1694 WeakPolarHBondContact O-CD2 3.23Å; V1690-Y1694 PolarHBondContact O-N 3.14Å; V1690-Y1694 VanDerWaalsContact O-N 3.15Å; C1691-Y1694 CarbonylContact O-C 3.52Å; C1691-Y1694 PolarHBondContact O-N 3.27Å; D1692-Y1694 VanDerWaalsContact C-N 3.29Å; D1692-Y1694 PolarHBondContact O-N 2.91Å; Y1694-L1696 PolarHBondContact O-N 2.64Å |
| 1695 | S | 75.3 | Confident | 84.1 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 34.7 | -174.8 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | C1691 D1692 | C1691-S1695 PolarHBondContact O-N 3.09Å; C1691-S1695 VanDerWaalsContact O-N 3.07Å; D1692-S1695 PolarHBondContact O-N 3.35Å; D1692-S1695 VanDerWaalsContact O-N 3.09Å |
| 1696 | L | 81.8 | Confident | 82.4 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 149.5 | 173.7 | -63.2 | 172.4 | 0 | 0 | 0 | 110.7 | V1410 I1414 L1417 C1691 Y1694 | V1410-L1696 HydrophobicContact CG1-CD2 3.59Å; I1414-L1696 HydrophobicContact CB-CD1 4.45Å; L1417-L1696 HydrophobicContact CD1-CD1 4.49Å; C1691-L1696 HydrophobicContact CB-CB 3.99Å; C1691-L1696 PolarHBondContact O-N 2.85Å; Y1694-L1696 PolarHBondContact O-N 2.64Å |
| 1697 | P | 83.2 | Confident | 80.8 | Confident | 83 Ų | 83 | 66 Ų | 66 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.6 | 172.5 | -22.8 | 32.9 | 0 | 0 | 0 | 112.4 | ||
| 1698 | A | 87.6 | Confident | 79.2 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 139.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1688 Q1700 | L1688-A1698 HydrophobicContact CD1-CB 3.64Å; A1698-Q1700 PolarHBondContact O-N 3.46Å |
| 1699 | P | 92.1 | Very high | 77.8 | Confident | 20 Ų | 20 | 73.9 Ų | 73.9 | 13% | 0.13 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 132.7 | -179.3 | -25.3 | 33.6 | 0 | 0 | 0 | 113.4 | L1687 Y1701 V1715 | L1687-P1699 HydrophobicContact CB-CG 4.43Å; L1687-P1699 HydrophobicContact CD2-CB 4.12Å; L1687-P1699 HydrophobicContact CD2-CG 3.98Å; L1687-P1699 HydrophobicContact CG-CB 4.41Å; L1687-P1699 HydrophobicContact CG-CG 3.72Å; P1699-Y1701 HydrophobicContact CB-CE2 4.06Å; P1699-V1715 HydrophobicContact CB-CG2 4.06Å; P1699-V1715 HydrophobicContact CG-CG2 4.32Å |
| 1700 | Q | 90.6 | Very high | 77.1 | Confident | 115 Ų | 115 | 75 Ų | 75 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 105.1 | -179.7 | -62.8 | 175 | 2.9 | 0 | 0 | 110.9 | A1698 C1713 R1714 | A1698-Q1700 PolarHBondContact O-N 3.46Å; Q1700-C1713 CarbonylContact O-C 3.48Å; Q1700-C1713 WeakPolarHBondContact O-CA 3.26Å; Q1700-R1714 HydrophobicContact CB-CB 4.32Å; Q1700-R1714 PolarHBondContact N-O 3.04Å; Q1700-R1714 PolarHBondContact O-N 3.49Å |
| 1701 | Y | 88.6 | Confident | 76.9 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 28% | 0.275 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 131.4 | 176.1 | -64.1 | -89.9 | 0 | 0 | 0 | 110.9 | S1684 P1699 C1713 K1739 A1743 | S1684-Y1701 VanDerWaalsContact CB-OH 3.26Å; S1684-Y1701 WeakPolarHBondContact CB-OH 3.19Å; P1699-Y1701 HydrophobicContact CB-CE2 4.06Å; Y1701-C1713 HydrophobicContact CD1-CB 3.75Å; Y1701-C1713 HydrophobicContact CE1-CB 3.82Å; Y1701-C1713 HydrophobicContact CG-CB 4.45Å; Y1701-K1739 HydrophobicContact CD1-CG 3.81Å; Y1701-K1739 HydrophobicContact CE1-CG 3.84Å; Y1701-K1739 HydrophobicContact CG-CG 4.36Å; Y1701-A1743 HydrophobicContact CE1-CB 4.48Å; Y1701-A1743 VanDerWaalsContact OH-CB 3.28Å; Y1701-A1743 WeakPolarHBondContact OH-CB 3.43Å |
| 1702 | G | 81.8 | Confident | 77 | Confident | 37 Ų | 37 | 76.8 Ų | 76.8 | 38% | 0.381 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -77 | 149.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1712 | G1702-S1712 PolarHBondContact N-O 2.73Š|
| 1703 | E | 72.5 | Confident | 77.5 | Confident | 176 Ų | 176 | 72 Ų | 72 | 82% | 0.822 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -69 | 131.4 | 173.6 | -72.2 | -177.6 | 169.6 | 0 | 0 | 111.4 | ||
| 1704 | T | 64.4 | Low | 78 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | trans | -83.9 | 113.2 | 174 | -16.4 | 0 | 0 | 0 | 0 | 108.9 | P1709 P1711 | T1704-P1709 WeakPolarHBondContact CG2-O 3.33Å; T1704-P1711 HydrophobicContact CG2-CG 4.49Å | ||
| 1705 | T | 68.2 | Low | 78.4 | Confident | 60 Ų | 60 | 75.3 Ų | 75.3 | 37% | 0.368 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -117.3 | 163.8 | 178 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | S1707 K1708 | T1705-S1707 PolarHBondContact O-N 3.32Å; T1705-S1707 VanDerWaalsContact O-N 3.1Å; T1705-S1707 PolarHBondContact OG1-OG 2.9Å; T1705-K1708 PolarHBondContact N-O 3.47Å; T1705-K1708 CarbonylContact O-C 3.5Å; T1705-K1708 PolarHBondContact O-N 3.31Å; T1705-K1708 VanDerWaalsContact O-O 3.05Å; T1705-K1708 PolarHBondContact OG1-N 2.68Å |
| 1706 | E | 59.7 | Low | 78.6 | Confident | 207 Ų | 207 | 73.3 Ų | 73.3 | 97% | 0.967 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -29.6 | 172.8 | -72.9 | -174.8 | 163.2 | 0 | 0 | 112.7 | ||
| 1707 | S | 59.7 | Low | 78.4 | Confident | 106 Ų | 106 | 81.2 Ų | 81.2 | 74% | 0.741 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -20.5 | 175.6 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | T1705 | T1705-S1707 PolarHBondContact O-N 3.32Å; T1705-S1707 VanDerWaalsContact O-N 3.1Å; T1705-S1707 PolarHBondContact OG1-OG 2.9Å |
| 1708 | K | 60.5 | Low | 78.4 | Confident | 144 Ų | 144 | 81.8 Ų | 81.8 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | B | Isolated β-bridge | trans | -135.5 | 80.1 | 177.2 | -75.7 | -174 | 178.9 | 180 | 0 | 109.2 | T1705 N1710 | T1705-K1708 PolarHBondContact N-O 3.47Å; T1705-K1708 CarbonylContact O-C 3.5Å; T1705-K1708 PolarHBondContact O-N 3.31Å; T1705-K1708 VanDerWaalsContact O-O 3.05Å; T1705-K1708 PolarHBondContact OG1-N 2.68Å; K1708-N1710 PolarHBondContact O-N 3.42Å |
| 1709 | P | 65.7 | Low | 78.4 | Confident | 93 Ų | 93 | 82.7 Ų | 82.7 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | trans | -67.9 | -16.9 | -175.8 | 26.7 | -34.5 | 0 | 0 | 0 | 113.3 | T1704 | T1704-P1709 WeakPolarHBondContact CG2-O 3.33Š| ||
| 1710 | N | 73.2 | Confident | 78.3 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 35% | 0.348 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -95.9 | 122.8 | -175.3 | -64.5 | -25.4 | 0 | 0 | 0 | 111.8 | K1708 V1721 E1723 | K1708-N1710 PolarHBondContact O-N 3.42Å; N1710-V1721 HydrophobicContact CB-CG1 4.14Å; N1710-E1723 PolarHBondContact ND2-OE2 2.74Å |
| 1711 | P | 83.7 | Confident | 78.3 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 10% | 0.104 | 41% | 0.414 | C | S | . | . | trans | -60.3 | 140.5 | 172.1 | -16 | 25.5 | 0 | 0 | 0 | 111.8 | T1704 L1722 P1738 L1742 | T1704-P1711 HydrophobicContact CG2-CG 4.49Å; P1711-L1722 HydrophobicContact CG-CD2 3.94Å; P1711-L1722 PolarHBondContact O-N 2.91Å; P1711-P1738 HydrophobicContact CG-CB 3.43Å; P1711-P1738 VanDerWaalsContact CG-CB 3.43Å; P1711-P1738 HydrophobicContact CG-CG 4.49Å; P1711-L1742 HydrophobicContact CB-CD2 4.3Å | ||
| 1712 | S | 89.7 | Confident | 78.2 | Confident | 35 Ų | 35 | 75.6 Ų | 75.6 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150 | 174.3 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | G1702 F1720 | G1702-S1712 PolarHBondContact N-O 2.73Å; S1712-F1720 CarbonylContact C-O 3.51Å; S1712-F1720 VanDerWaalsContact CA-O 3.23Å; S1712-F1720 WeakPolarHBondContact CA-O 3.29Å |
| 1713 | C | 92.7 | Very high | 78.4 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.8 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | Q1700 Y1701 F1720 L1742 I1746 | Q1700-C1713 CarbonylContact O-C 3.48Å; Q1700-C1713 WeakPolarHBondContact O-CA 3.26Å; Y1701-C1713 HydrophobicContact CD1-CB 3.75Å; Y1701-C1713 HydrophobicContact CE1-CB 3.82Å; Y1701-C1713 HydrophobicContact CG-CB 4.45Å; C1713-F1720 PolarHBondContact N-O 2.85Å; C1713-F1720 PolarHBondContact O-N 3.36Å; C1713-L1742 HydrophobicContact CB-CD2 3.67Å; C1713-L1742 HydrophobicContact CB-CG 4.19Å; C1713-I1746 HydrophobicContact CB-CD1 3.86Å |
| 1714 | R | 89.3 | Confident | 79.1 | Confident | 132 Ų | 132 | 76.3 Ų | 76.3 | 50% | 0.498 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.6 | 173.2 | 179.1 | -177.8 | -78.1 | 161 | -7.2 | 110 | Q1700 R1718 V1719 | Q1700-R1714 HydrophobicContact CB-CB 4.32Å; Q1700-R1714 PolarHBondContact N-O 3.04Å; Q1700-R1714 PolarHBondContact O-N 3.49Å; R1714-R1718 WeakPolarHBondContact CA-O 3.34Å; R1714-V1719 HydrophobicContact CB-CG2 4.12Å; R1714-V1719 HydrophobicContact CG-CG2 4.13Å |
| 1715 | V | 86.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 122.5 | 173.7 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | I1414 L1687 C1691 P1699 Q1717 R1718 F1720 I1746 | I1414-V1715 HydrophobicContact CD1-CB 3.61Å; I1414-V1715 HydrophobicContact CD1-CG1 3.38Å; L1687-V1715 HydrophobicContact CD2-CG2 4.07Å; C1691-V1715 WeakPolarHBondContact SG-CG1 3.48Å; P1699-V1715 HydrophobicContact CB-CG2 4.06Å; P1699-V1715 HydrophobicContact CG-CG2 4.32Å; V1715-Q1717 PolarHBondContact O-N 2.76Å; V1715-R1718 PolarHBondContact N-O 3.1Å; V1715-R1718 PolarHBondContact O-N 3.1Å; V1715-R1718 VanDerWaalsContact O-N 3.1Å; V1715-F1720 HydrophobicContact CB-CE2 4.33Å; V1715-I1746 HydrophobicContact CG2-CD1 4.45Å |
| 1716 | G | 79.3 | Confident | 80.9 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -129.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1717 | Q | 77.6 | Confident | 81.9 | Confident | 178 Ų | 178 | 74.1 Ų | 74.1 | 83% | 0.832 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -4.8 | 176.7 | -61.1 | -165.5 | -1.7 | 0 | 0 | 114.1 | V1715 | V1715-Q1717 PolarHBondContact O-N 2.76Š|
| 1718 | R | 83.3 | Confident | 82.7 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 36% | 0.358 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139.8 | -171.8 | -163.9 | 163.3 | 176 | 177.9 | -5.3 | 111.9 | I1414 T1418 R1714 V1715 F1720 | I1414-R1718 HydrophobicContact CG2-CB 4.06Å; T1418-R1718 PolarHBondContact OG1-NH1 2.63Å; R1714-R1718 WeakPolarHBondContact CA-O 3.34Å; V1715-R1718 PolarHBondContact N-O 3.1Å; V1715-R1718 PolarHBondContact O-N 3.1Å; V1715-R1718 VanDerWaalsContact O-N 3.1Å; R1718-F1720 HydrophobicContact CB-CE2 4.02Å; R1718-F1720 HydrophobicContact CB-CZ 4.22Å; R1718-F1720 HydrophobicContact CG-CE1 4.21Å; R1718-F1720 HydrophobicContact CG-CE2 3.98Å; R1718-F1720 HydrophobicContact CG-CZ 3.82Å |
| 1719 | V | 86.9 | Confident | 83.5 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.1 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | R1714 | R1714-V1719 HydrophobicContact CB-CG2 4.12Å; R1714-V1719 HydrophobicContact CG-CG2 4.13Å |
| 1720 | F | 90 | Very high | 83.8 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.6 | 178.7 | -61.6 | -85.9 | 0 | 0 | 0 | 109.6 | I1414 S1712 C1713 V1715 R1718 F1725 L1742 I1746 | I1414-F1720 HydrophobicContact CD1-CE2 3.94Å; I1414-F1720 HydrophobicContact CD1-CZ 4.14Å; S1712-F1720 CarbonylContact C-O 3.51Å; S1712-F1720 VanDerWaalsContact CA-O 3.23Å; S1712-F1720 WeakPolarHBondContact CA-O 3.29Å; C1713-F1720 PolarHBondContact N-O 2.85Å; C1713-F1720 PolarHBondContact O-N 3.36Å; V1715-F1720 HydrophobicContact CB-CE2 4.33Å; R1718-F1720 HydrophobicContact CB-CE2 4.02Å; R1718-F1720 HydrophobicContact CB-CZ 4.22Å; R1718-F1720 HydrophobicContact CG-CE1 4.21Å; R1718-F1720 HydrophobicContact CG-CE2 3.98Å; R1718-F1720 HydrophobicContact CG-CZ 3.82Å; F1720-F1725 HydrophobicContact CB-CE2 4.21Å; F1720-F1725 HydrophobicContact CD1-CE2 4.27Å; F1720-F1725 AromaticContact CD1-CZ 3.84Å; F1720-F1725 HydrophobicContact CD1-CZ 3.84Å; F1720-L1742 HydrophobicContact CB-CD1 4.13Å; F1720-I1746 HydrophobicContact CB-CD1 3.78Å; F1720-I1746 HydrophobicContact CB-CG1 3.77Å; F1720-I1746 HydrophobicContact CD1-CG1 4.07Å; F1720-I1746 HydrophobicContact CD2-CD1 3.75Å; F1720-I1746 HydrophobicContact CD2-CG1 3.77Å; F1720-I1746 HydrophobicContact CD2-CG2 4.25Å; F1720-I1746 HydrophobicContact CE2-CG1 4.33Å; F1720-I1746 HydrophobicContact CE2-CG2 4.01Å; F1720-I1746 HydrophobicContact CG-CD1 3.89Å; F1720-I1746 HydrophobicContact CG-CG1 3.61Å; F1720-I1746 HydrophobicContact CZ-CG2 4.25Å |
| 1721 | V | 89.9 | Confident | 83.6 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 26% | 0.255 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.8 | 179.7 | -175.4 | 0 | 0 | 0 | 0 | 109 | N1710 E1723 D1724 F1725 | N1710-V1721 HydrophobicContact CB-CG1 4.14Å; V1721-E1723 VanDerWaalsContact C-N 3.32Å; V1721-E1723 PolarHBondContact O-N 2.95Å; V1721-D1724 WeakPolarHBondContact O-CB 3.13Å; V1721-D1724 PolarHBondContact O-N 3.03Å; V1721-F1725 WeakPolarHBondContact O-CD2 3.38Å |
| 1722 | L | 88.1 | Confident | 83.3 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | -174.4 | -177.2 | 61.5 | 0 | 0 | 0 | 113.4 | P1711 D1724 F1725 E1726 P1738 R1741 L1742 | P1711-L1722 HydrophobicContact CG-CD2 3.94Å; P1711-L1722 PolarHBondContact O-N 2.91Å; L1722-D1724 PolarHBondContact O-N 3.19Å; L1722-F1725 PolarHBondContact O-N 2.93Å; L1722-E1726 HydrophobicContact CD1-CG 4.15Å; L1722-E1726 PolarHBondContact O-N 2.88Å; L1722-P1738 HydrophobicContact CD2-CB 3.72Å; L1722-R1741 HydrophobicContact CD1-CB 4.07Å; L1722-L1742 HydrophobicContact CB-CB 4.4Å; L1722-L1742 HydrophobicContact CB-CD1 4.32Å; L1722-L1742 HydrophobicContact CD1-CB 4.04Å |
| 1723 | E | 85.6 | Confident | 82.7 | Confident | 107 Ų | 107 | 67.8 Ų | 67.8 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -29.3 | -179.6 | -172.5 | 175.8 | -168.2 | 0 | 0 | 112.8 | N1710 V1721 F1725 E1726 R1727 | N1710-E1723 PolarHBondContact ND2-OE2 2.74Å; V1721-E1723 VanDerWaalsContact C-N 3.32Å; V1721-E1723 PolarHBondContact O-N 2.95Å; E1723-F1725 PolarHBondContact O-N 2.83Å; E1723-E1726 PolarHBondContact O-N 3.17Å; E1723-R1727 WeakPolarHBondContact O-CB 2.76Å; E1723-R1727 PolarHBondContact O-N 3.26Å |
| 1724 | D | 85.8 | Confident | 82.4 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 65% | 0.647 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.3 | -29.1 | -179.7 | -65.2 | -25.3 | 0 | 0 | 0 | 112.2 | V1721 L1722 | V1721-D1724 WeakPolarHBondContact O-CB 3.13Å; V1721-D1724 PolarHBondContact O-N 3.03Å; L1722-D1724 PolarHBondContact O-N 3.19Å |
| 1725 | F | 86 | Confident | 82.3 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 23% | 0.232 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -87.9 | -32.6 | 179.4 | -62.9 | -79.1 | 0 | 0 | 0 | 112.8 | F1720 V1721 L1722 E1723 L1742 H1745 K1749 | F1720-F1725 HydrophobicContact CB-CE2 4.21Å; F1720-F1725 HydrophobicContact CD1-CE2 4.27Å; F1720-F1725 AromaticContact CD1-CZ 3.84Å; F1720-F1725 HydrophobicContact CD1-CZ 3.84Å; V1721-F1725 WeakPolarHBondContact O-CD2 3.38Å; L1722-F1725 PolarHBondContact O-N 2.93Å; E1723-F1725 PolarHBondContact O-N 2.83Å; F1725-L1742 HydrophobicContact CD2-CD1 4.23Å; F1725-L1742 HydrophobicContact CE2-CD1 4.01Å; F1725-H1745 HydrophobicContact CB-CB 4.17Å; F1725-H1745 HydrophobicContact CD1-CB 3.8Å; F1725-H1745 HydrophobicContact CD2-CB 3.75Å; F1725-H1745 HydrophobicContact CE1-CB 4.04Å; F1725-H1745 HydrophobicContact CE2-CB 3.99Å; F1725-H1745 HydrophobicContact CG-CB 3.64Å; F1725-H1745 AromaticContact CG-CG 3.7Å; F1725-H1745 HydrophobicContact CZ-CB 4.12Å; F1725-K1749 HydrophobicContact CE1-CG 4.07Å |
| 1726 | E | 85.4 | Confident | 82.4 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -106.3 | 11.3 | -168.6 | -57.4 | -175.6 | 156.9 | 0 | 0 | 114.1 | L1722 E1723 G1728 M1729 R1741 H1745 | L1722-E1726 HydrophobicContact CD1-CG 4.15Å; L1722-E1726 PolarHBondContact O-N 2.88Å; E1723-E1726 PolarHBondContact O-N 3.17Å; E1726-G1728 PolarHBondContact O-N 2.82Å; E1726-G1728 VanDerWaalsContact O-N 3.09Å; E1726-M1729 VanDerWaalsContact CA-SD 3.57Å; E1726-M1729 HydrophobicContact CB-CG 4.41Å; E1726-M1729 HydrophobicContact CB-SD 3.73Å; E1726-M1729 HydrophobicContact CG-SD 3.72Å; E1726-M1729 PolarHBondContact O-N 2.95Å; E1726-R1741 IonicContact OE1-CZ 2.73Å; E1726-R1741 IonicContact OE1-NH1 3.49Å; E1726-R1741 PolarHBondContact OE1-NH1 3.1Å; E1726-R1741 IonicContact OE2-CZ 3.54Å; E1726-R1741 IonicContact OE2-NH1 3.95Å; E1726-R1741 PolarHBondContact OE2-NH1 3Å; E1726-H1745 IonicContact OE1-NE2 3.87Å; E1726-H1745 PolarHBondContact OE1-NE2 2.98Å |
| 1727 | R | 81.3 | Confident | 82.9 | Confident | 220 Ų | 220 | 67 Ų | 67 | 83% | 0.83 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 112.8 | -179.5 | -168.4 | 175.7 | -175 | 177.2 | 2.1 | 111.2 | E1723 | E1723-R1727 WeakPolarHBondContact O-CB 2.76Å; E1723-R1727 PolarHBondContact O-N 3.26Å |
| 1728 | G | 76.3 | Confident | 83.4 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | 2.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1726 | E1726-G1728 PolarHBondContact O-N 2.82Å; E1726-G1728 VanDerWaalsContact O-N 3.09Å |
| 1729 | M | 77.2 | Confident | 83.8 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | trans | -61.4 | 146.7 | 173.2 | -71.4 | -177.5 | 71.8 | 0 | 0 | 111.9 | E1726 | E1726-M1729 VanDerWaalsContact CA-SD 3.57Å; E1726-M1729 HydrophobicContact CB-CG 4.41Å; E1726-M1729 HydrophobicContact CB-SD 3.73Å; E1726-M1729 HydrophobicContact CG-SD 3.72Å; E1726-M1729 PolarHBondContact O-N 2.95Å | ||
| 1730 | V | 71.7 | Confident | 84.1 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | trans | -68.6 | 135.7 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | N1732 | V1730-N1732 PolarHBondContact O-N 3.16Š| ||
| 1731 | P | 70.2 | Confident | 84.3 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | trans | -59.2 | 109.7 | 177.7 | -22.8 | 33.2 | 0 | 0 | 0 | 111.3 | F1450 | F1450-P1731 HydrophobicContact CD1-CB 4.34Å; F1450-P1731 HydrophobicContact CE1-CB 4.27Å | ||
| 1732 | N | 76.6 | Confident | 84.4 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | trans | -101.9 | 118.2 | 178.6 | 177.9 | -7.8 | 0 | 0 | 0 | 109.9 | Y1484 V1730 H1734 L1735 | Y1484-N1732 WeakPolarHBondContact CD1-ND2 3.13Å; Y1484-N1732 HydrophobicContact CE1-CB 4.38Å; V1730-N1732 PolarHBondContact O-N 3.16Å; N1732-H1734 PolarHBondContact O-N 2.71Å; N1732-H1734 WeakPolarHBondContact OD1-CB 2.96Å; N1732-H1734 PolarHBondContact OD1-CD2 2.87Å; N1732-H1734 PolarHBondContact OD1-N 3.16Å; N1732-L1735 HydrophobicContact CB-CD1 3.99Å; N1732-L1735 HydrophobicContact CB-CG 3.9Å; N1732-L1735 WeakPolarHBondContact O-CG 3.15Å; N1732-L1735 PolarHBondContact O-N 2.72Å | ||
| 1733 | P | 76.8 | Confident | 84.8 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 31% | 0.305 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.8 | -176.1 | 28.3 | -33 | 0 | 0 | 0 | 114 | L1453 I1456 | L1453-P1733 HydrophobicContact CD2-CB 4.08Å; L1453-P1733 HydrophobicContact CD2-CG 4.42Å; L1453-P1733 HydrophobicContact CG-CB 4.41Å; I1456-P1733 HydrophobicContact CD1-CG 3.53Å; I1456-P1733 HydrophobicContact CG1-CG 4.41Å |
| 1734 | H | 85.7 | Confident | 85.3 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 9% | 0.088 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9.1 | -179.6 | -61.1 | -62 | 0 | 0 | 0 | 114 | Y1484 C1670 V1671 S1672 N1732 G1736 | Y1484-H1734 AromaticContact CZ-CD2 3.93Å; Y1484-H1734 PolarHBondContact OH-CD2 2.87Å; Y1484-H1734 PolarHBondContact OH-NE2 2.81Å; C1670-H1734 CarbonylContact C-O 3.54Å; C1670-H1734 WeakPolarHBondContact CA-O 3.43Å; C1670-H1734 HydrophobicContact CB-CB 4.06Å; C1670-H1734 WeakPolarHBondContact CB-O 3.04Å; V1671-H1734 PolarHBondContact N-O 3.45Å; S1672-H1734 WeakPolarHBondContact O-CB 3.21Å; S1672-H1734 PolarHBondContact OG-ND1 3.17Å; N1732-H1734 PolarHBondContact O-N 2.71Å; N1732-H1734 WeakPolarHBondContact OD1-CB 2.96Å; N1732-H1734 PolarHBondContact OD1-CD2 2.87Å; N1732-H1734 PolarHBondContact OD1-N 3.16Å; H1734-G1736 PolarHBondContact O-N 2.63Å |
| 1735 | L | 87.2 | Confident | 85.6 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 24% | 0.236 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -60.1 | 132.7 | -176.6 | -73.1 | 173.7 | 0 | 0 | 0 | 112.2 | N1732 | N1732-L1735 HydrophobicContact CB-CD1 3.99Å; N1732-L1735 HydrophobicContact CB-CG 3.9Å; N1732-L1735 WeakPolarHBondContact O-CG 3.15Å; N1732-L1735 PolarHBondContact O-N 2.72Å |
| 1736 | G | 89.4 | Confident | 86 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | trans | -78.9 | -174.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1669 H1734 R1741 | Y1669-G1736 PolarHBondContact O-N 2.52Å; H1734-G1736 PolarHBondContact O-N 2.63Å; G1736-R1741 WeakPolarHBondContact O-CD 3.13Å; G1736-R1741 PolarHBondContact O-NE 2.91Å | ||
| 1737 | P | 90.3 | Very high | 86.4 | Confident | 68 Ų | 68 | 43 Ų | 43 | 44% | 0.442 | 24% | 0.238 | S | C | . | . | trans | -51.6 | 141.8 | 176.2 | 18 | -33.8 | 0 | 0 | 0 | 113.6 | Y1669 K1739 E1740 R1741 | Y1669-P1737 HydrophobicContact CE1-CG 4.18Å; P1737-K1739 VanDerWaalsContact C-N 3.3Å; P1737-K1739 PolarHBondContact O-N 3.17Å; P1737-E1740 HydrophobicContact CG-CB 4.49Å; P1737-E1740 HydrophobicContact CG-CG 4.13Å; P1737-E1740 PolarHBondContact O-N 3.09Å; P1737-R1741 PolarHBondContact O-N 2.85Å | ||
| 1738 | P | 88.2 | Confident | 86.9 | Confident | 56 Ų | 56 | 34 Ų | 34 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.4 | -34.5 | -175.9 | -22.4 | 28.7 | 0 | 0 | 0 | 115.9 | P1711 L1722 R1741 L1742 | P1711-P1738 HydrophobicContact CG-CB 3.43Å; P1711-P1738 VanDerWaalsContact CG-CB 3.43Å; P1711-P1738 HydrophobicContact CG-CG 4.49Å; L1722-P1738 HydrophobicContact CD2-CB 3.72Å; P1738-R1741 PolarHBondContact O-N 3.04Å; P1738-L1742 PolarHBondContact O-N 3.46Å |
| 1739 | K | 90.5 | Very high | 87.5 | Confident | 95 Ų | 95 | 35.2 Ų | 35.2 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 179.9 | -176.8 | -166.2 | 170.1 | -145.8 | 0 | 111.9 | S1684 Y1701 P1737 L1742 A1743 | S1684-K1739 PolarHBondContact OG-NZ 3Å; Y1701-K1739 HydrophobicContact CD1-CG 3.81Å; Y1701-K1739 HydrophobicContact CE1-CG 3.84Å; Y1701-K1739 HydrophobicContact CG-CG 4.36Å; P1737-K1739 VanDerWaalsContact C-N 3.3Å; P1737-K1739 PolarHBondContact O-N 3.17Å; K1739-L1742 PolarHBondContact O-N 3.38Å; K1739-A1743 PolarHBondContact O-N 2.8Å; K1739-A1743 VanDerWaalsContact O-N 3.1Å |
| 1740 | E | 94.6 | Very high | 88.1 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.6 | -33.9 | -177.6 | -57.6 | -49.1 | 138.4 | 0 | 0 | 111.5 | Y1669 P1683 S1684 P1737 A1743 L1744 | Y1669-E1740 HydrophobicContact CD1-CB 3.64Å; Y1669-E1740 HydrophobicContact CD2-CB 4.49Å; Y1669-E1740 HydrophobicContact CE1-CB 3.52Å; Y1669-E1740 HydrophobicContact CE1-CG 4.14Å; Y1669-E1740 HydrophobicContact CE2-CB 4.4Å; Y1669-E1740 HydrophobicContact CG-CB 4.13Å; P1683-E1740 HydrophobicContact CB-CB 4.44Å; P1683-E1740 WeakPolarHBondContact CB-O 3.04Å; P1683-E1740 HydrophobicContact CG-CB 4.14Å; S1684-E1740 VanDerWaalsContact CB-OE2 3.24Å; S1684-E1740 WeakPolarHBondContact CB-OE2 3.16Å; S1684-E1740 PolarHBondContact N-OE2 2.88Å; S1684-E1740 VanDerWaalsContact OG-CD 3.24Å; S1684-E1740 PolarHBondContact OG-OE1 2.88Å; S1684-E1740 PolarHBondContact OG-OE2 2.78Å; P1737-E1740 HydrophobicContact CG-CB 4.49Å; P1737-E1740 HydrophobicContact CG-CG 4.13Å; P1737-E1740 PolarHBondContact O-N 3.09Å; E1740-A1743 PolarHBondContact O-N 2.84Å; E1740-L1744 PolarHBondContact O-N 3.48Å |
| 1741 | R | 93.1 | Very high | 88.8 | Confident | 32 Ų | 32 | 29.6 Ų | 29.6 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 170.4 | -70 | -175.6 | -65.1 | 123.4 | -0.9 | 111.7 | Y1669 L1722 E1726 G1736 P1737 P1738 A1743 L1744 H1745 | Y1669-R1741 HydrophobicContact CD1-CG 4.23Å; L1722-R1741 HydrophobicContact CD1-CB 4.07Å; E1726-R1741 IonicContact OE1-CZ 2.73Å; E1726-R1741 IonicContact OE1-NH1 3.49Å; E1726-R1741 PolarHBondContact OE1-NH1 3.1Å; E1726-R1741 IonicContact OE2-CZ 3.54Å; E1726-R1741 IonicContact OE2-NH1 3.95Å; E1726-R1741 PolarHBondContact OE2-NH1 3Å; G1736-R1741 WeakPolarHBondContact O-CD 3.13Å; G1736-R1741 PolarHBondContact O-NE 2.91Å; P1737-R1741 PolarHBondContact O-N 2.85Å; P1738-R1741 PolarHBondContact O-N 3.04Å; R1741-A1743 VanDerWaalsContact C-N 3.34Å; R1741-A1743 PolarHBondContact O-N 3.02Å; R1741-L1744 PolarHBondContact O-N 2.82Å; R1741-H1745 PolarHBondContact O-CD2 3.18Å; R1741-H1745 PolarHBondContact O-N 3.37Å |
| 1742 | L | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 177.2 | 179.1 | 57.1 | 0 | 0 | 0 | 111.8 | P1711 C1713 F1720 L1722 F1725 P1738 K1739 L1744 H1745 I1746 | P1711-L1742 HydrophobicContact CB-CD2 4.3Å; C1713-L1742 HydrophobicContact CB-CD2 3.67Å; C1713-L1742 HydrophobicContact CB-CG 4.19Å; F1720-L1742 HydrophobicContact CB-CD1 4.13Å; L1722-L1742 HydrophobicContact CB-CB 4.4Å; L1722-L1742 HydrophobicContact CB-CD1 4.32Å; L1722-L1742 HydrophobicContact CD1-CB 4.04Å; F1725-L1742 HydrophobicContact CD2-CD1 4.23Å; F1725-L1742 HydrophobicContact CE2-CD1 4.01Å; P1738-L1742 PolarHBondContact O-N 3.46Å; K1739-L1742 PolarHBondContact O-N 3.38Å; L1742-L1744 VanDerWaalsContact C-N 3.34Å; L1742-L1744 PolarHBondContact O-N 2.91Å; L1742-H1745 PolarHBondContact O-N 2.72Å; L1742-I1746 HydrophobicContact CD1-CD1 4.31Å; L1742-I1746 HydrophobicContact CD1-CG1 4.44Å; L1742-I1746 HydrophobicContact CG-CD1 4.19Å; L1742-I1746 VanDerWaalsContact O-CG1 3.3Å; L1742-I1746 WeakPolarHBondContact O-CG1 3.34Å; L1742-I1746 PolarHBondContact O-N 3.18Å; L1742-I1746 VanDerWaalsContact O-N 3.09Å |
| 1743 | A | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1683 L1687 Y1701 K1739 E1740 R1741 I1746 L1747 | P1683-A1743 HydrophobicContact CB-CB 3.84Å; L1687-A1743 HydrophobicContact CD2-CB 4.33Å; Y1701-A1743 HydrophobicContact CE1-CB 4.48Å; Y1701-A1743 VanDerWaalsContact OH-CB 3.28Å; Y1701-A1743 WeakPolarHBondContact OH-CB 3.43Å; K1739-A1743 PolarHBondContact O-N 2.8Å; K1739-A1743 VanDerWaalsContact O-N 3.1Å; E1740-A1743 PolarHBondContact O-N 2.84Å; R1741-A1743 VanDerWaalsContact C-N 3.34Å; R1741-A1743 PolarHBondContact O-N 3.02Å; A1743-I1746 PolarHBondContact O-N 2.77Å; A1743-L1747 WeakPolarHBondContact O-CG 3.09Å; A1743-L1747 PolarHBondContact O-N 3.33Å |
| 1744 | L | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.4 | -176.7 | 60.8 | 0 | 0 | 0 | 112.4 | L1665 P1666 S1668 Y1669 W1677 P1683 E1740 R1741 L1742 I1746 L1747 N1748 | L1665-L1744 HydrophobicContact CB-CD1 4.21Å; L1665-L1744 HydrophobicContact CD2-CD1 3.95Å; P1666-L1744 HydrophobicContact CG-CD2 4.13Å; P1666-L1744 WeakPolarHBondContact O-CD2 3.38Å; S1668-L1744 VanDerWaalsContact C-CD2 3.44Å; Y1669-L1744 VanDerWaalsContact N-CD2 3.35Å; W1677-L1744 HydrophobicContact CH2-CD1 4.05Å; W1677-L1744 HydrophobicContact CZ3-CD1 3.74Å; W1677-L1744 HydrophobicContact CZ3-CD2 3.96Å; W1677-L1744 HydrophobicContact CZ3-CG 4.45Å; P1683-L1744 HydrophobicContact CB-CB 4.02Å; P1683-L1744 HydrophobicContact CG-CB 4.21Å; E1740-L1744 PolarHBondContact O-N 3.48Å; R1741-L1744 PolarHBondContact O-N 2.82Å; L1742-L1744 VanDerWaalsContact C-N 3.34Å; L1742-L1744 PolarHBondContact O-N 2.91Å; L1744-I1746 VanDerWaalsContact C-N 3.26Å; L1744-I1746 PolarHBondContact O-N 2.82Å; L1744-L1747 WeakPolarHBondContact O-CB 3.03Å; L1744-L1747 PolarHBondContact O-N 3.29Å; L1744-L1747 VanDerWaalsContact O-N 3.15Å; L1744-N1748 PolarHBondContact O-N 3.17Å; L1744-N1748 PolarHBondContact O-ND2 3.48Å |
| 1745 | H | 93.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 9% | 0.093 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.9 | -38.2 | 174.9 | -77.5 | -51.4 | 0 | 0 | 0 | 112.5 | F1725 E1726 R1741 L1742 | F1725-H1745 HydrophobicContact CB-CB 4.17Å; F1725-H1745 HydrophobicContact CD1-CB 3.8Å; F1725-H1745 HydrophobicContact CD2-CB 3.75Å; F1725-H1745 HydrophobicContact CE1-CB 4.04Å; F1725-H1745 HydrophobicContact CE2-CB 3.99Å; F1725-H1745 HydrophobicContact CG-CB 3.64Å; F1725-H1745 AromaticContact CG-CG 3.7Å; F1725-H1745 HydrophobicContact CZ-CB 4.12Å; E1726-H1745 IonicContact OE1-NE2 3.87Å; E1726-H1745 PolarHBondContact OE1-NE2 2.98Å; R1741-H1745 PolarHBondContact O-CD2 3.18Å; R1741-H1745 PolarHBondContact O-N 3.37Å; L1742-H1745 PolarHBondContact O-N 2.72Å |
| 1746 | I | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.3 | -47.1 | 174.4 | -63 | 165.5 | 0 | 0 | 0 | 110.3 | L1687 C1713 V1715 F1720 L1742 A1743 L1744 N1748 K1749 | L1687-I1746 HydrophobicContact CD1-CB 4.42Å; L1687-I1746 HydrophobicContact CD1-CG2 3.73Å; L1687-I1746 HydrophobicContact CD2-CB 4.32Å; L1687-I1746 HydrophobicContact CD2-CD1 4Å; L1687-I1746 HydrophobicContact CD2-CG2 4.22Å; C1713-I1746 HydrophobicContact CB-CD1 3.86Å; V1715-I1746 HydrophobicContact CG2-CD1 4.45Å; F1720-I1746 HydrophobicContact CB-CD1 3.78Å; F1720-I1746 HydrophobicContact CB-CG1 3.77Å; F1720-I1746 HydrophobicContact CD1-CG1 4.07Å; F1720-I1746 HydrophobicContact CD2-CD1 3.75Å; F1720-I1746 HydrophobicContact CD2-CG1 3.77Å; F1720-I1746 HydrophobicContact CD2-CG2 4.25Å; F1720-I1746 HydrophobicContact CE2-CG1 4.33Å; F1720-I1746 HydrophobicContact CE2-CG2 4.01Å; F1720-I1746 HydrophobicContact CG-CD1 3.89Å; F1720-I1746 HydrophobicContact CG-CG1 3.61Å; F1720-I1746 HydrophobicContact CZ-CG2 4.25Å; L1742-I1746 HydrophobicContact CD1-CD1 4.31Å; L1742-I1746 HydrophobicContact CD1-CG1 4.44Å; L1742-I1746 HydrophobicContact CG-CD1 4.19Å; L1742-I1746 VanDerWaalsContact O-CG1 3.3Å; L1742-I1746 WeakPolarHBondContact O-CG1 3.34Å; L1742-I1746 PolarHBondContact O-N 3.18Å; L1742-I1746 VanDerWaalsContact O-N 3.09Å; A1743-I1746 PolarHBondContact O-N 2.77Å; L1744-I1746 VanDerWaalsContact C-N 3.26Å; L1744-I1746 PolarHBondContact O-N 2.82Å; I1746-N1748 VanDerWaalsContact C-N 3.31Å; I1746-N1748 PolarHBondContact O-N 3.28Å; I1746-K1749 WeakPolarHBondContact O-CB 3.41Å; I1746-K1749 PolarHBondContact O-N 3.31Å |
| 1747 | L | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 178.5 | -71.5 | 168 | 0 | 0 | 0 | 112.5 | L1665 P1683 I1686 L1687 V1690 A1743 L1744 K1749 L1750 L1752 | L1665-L1747 HydrophobicContact CD1-CB 3.78Å; L1665-L1747 HydrophobicContact CD2-CD1 4.42Å; P1683-L1747 HydrophobicContact CB-CD1 4.44Å; P1683-L1747 WeakPolarHBondContact O-CD1 3.49Å; I1686-L1747 HydrophobicContact CB-CD1 3.87Å; I1686-L1747 HydrophobicContact CG2-CD1 3.69Å; I1686-L1747 HydrophobicContact CG2-CD2 3.86Å; I1686-L1747 HydrophobicContact CG2-CG 4.46Å; L1687-L1747 HydrophobicContact CB-CD2 4.17Å; L1687-L1747 HydrophobicContact CB-CG 4.27Å; L1687-L1747 HydrophobicContact CD1-CD2 3.97Å; L1687-L1747 HydrophobicContact CD1-CG 4.29Å; V1690-L1747 HydrophobicContact CG2-CD2 4.07Å; A1743-L1747 WeakPolarHBondContact O-CG 3.09Å; A1743-L1747 PolarHBondContact O-N 3.33Å; L1744-L1747 WeakPolarHBondContact O-CB 3.03Å; L1744-L1747 PolarHBondContact O-N 3.29Å; L1744-L1747 VanDerWaalsContact O-N 3.15Å; L1747-K1749 PolarHBondContact O-N 3.41Å; L1747-K1749 VanDerWaalsContact O-N 3.16Å; L1747-L1750 HydrophobicContact CD2-CD1 4.39Å; L1747-L1750 WeakPolarHBondContact O-CB 3.13Å; L1747-L1750 PolarHBondContact O-N 3.49Å; L1747-L1752 HydrophobicContact CB-CD1 4.31Å; L1747-L1752 HydrophobicContact CD2-CD1 3.69Å |
| 1748 | N | 92 | Very high | 92.6 | Very high | 31 Ų | 31 | 21.5 Ų | 21.5 | 17% | 0.166 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.8 | 176.4 | -83.1 | -47.9 | 0 | 0 | 0 | 114.3 | P1666 Q1667 L1744 I1746 | P1666-N1748 PolarHBondContact O-ND2 2.82Å; Q1667-N1748 PolarHBondContact O-ND2 2.93Å; L1744-N1748 PolarHBondContact O-N 3.17Å; L1744-N1748 PolarHBondContact O-ND2 3.48Å; I1746-N1748 VanDerWaalsContact C-N 3.31Å; I1746-N1748 PolarHBondContact O-N 3.28Å |
| 1749 | K | 88.9 | Confident | 92.9 | Very high | 101 Ų | 101 | 19.2 Ų | 19.2 | 44% | 0.439 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4.1 | 171.6 | -65.7 | -63.2 | -176 | -175 | 0 | 113.4 | T1418 A1421 F1725 I1746 L1747 | T1418-K1749 WeakPolarHBondContact CA-O 3.33Å; T1418-K1749 HydrophobicContact CG2-CB 4.13Å; T1418-K1749 WeakPolarHBondContact CG2-O 3.02Å; A1421-K1749 WeakPolarHBondContact CB-O 3.07Å; F1725-K1749 HydrophobicContact CE1-CG 4.07Å; I1746-K1749 WeakPolarHBondContact O-CB 3.41Å; I1746-K1749 PolarHBondContact O-N 3.31Å; L1747-K1749 PolarHBondContact O-N 3.41Å; L1747-K1749 VanDerWaalsContact O-N 3.16Å |
| 1750 | L | 89.3 | Confident | 93.1 | Very high | 8 Ų | 8 | 15.4 Ų | 15.4 | 4% | 0.042 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -96 | 161.5 | 176.3 | -57 | 180 | 0 | 0 | 0 | 109.6 | I1414 L1417 T1418 V1690 L1747 L1752 | I1414-L1750 HydrophobicContact CD1-CD2 4.45Å; I1414-L1750 HydrophobicContact CG1-CD2 4.09Å; L1417-L1750 HydrophobicContact CB-CD2 4Å; T1418-L1750 HydrophobicContact CG2-CD2 4.26Å; V1690-L1750 HydrophobicContact CG1-CD1 3.81Å; L1747-L1750 HydrophobicContact CD2-CD1 4.39Å; L1747-L1750 WeakPolarHBondContact O-CB 3.13Å; L1747-L1750 PolarHBondContact O-N 3.49Å; L1750-L1752 HydrophobicContact CB-CD1 4.1Å; L1750-L1752 HydrophobicContact CB-CG 3.96Å; L1750-L1752 HydrophobicContact CD1-CD1 4.4Å; L1750-L1752 PolarHBondContact O-N 3.18Å |
| 1751 | P | 86.9 | Confident | 93 | Very high | 12 Ų | 12 | 17.3 Ų | 17.3 | 8% | 0.078 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -77.4 | 60.3 | -179.9 | 32.5 | -34.4 | 0 | 0 | 0 | 109.8 | L1417 I1420 A1421 Y1659 | L1417-P1751 HydrophobicContact CD2-CG 4.05Å; L1417-P1751 WeakPolarHBondContact O-CD 3.5Å; I1420-P1751 HydrophobicContact CG2-CB 4.3Å; A1421-P1751 HydrophobicContact CB-CB 4.22Å; Y1659-P1751 WeakPolarHBondContact CD1-O 3.42Å |
| 1752 | L | 91.8 | Very high | 93 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.031 | 8% | 0.075 | C | C | . | . | trans | -107.1 | 151.1 | -179.6 | -60.9 | 177.3 | 0 | 0 | 0 | 109.8 | K1658 Y1659 R1660 L1665 V1690 L1747 L1750 K1754 | K1658-L1752 WeakPolarHBondContact O-CD2 2.97Å; Y1659-L1752 WeakPolarHBondContact O-CA 2.89Å; R1660-L1752 HydrophobicContact CB-CD2 4.18Å; L1665-L1752 HydrophobicContact CD1-CB 3.83Å; L1665-L1752 HydrophobicContact CD1-CD1 3.87Å; V1690-L1752 HydrophobicContact CG2-CD1 4.14Å; L1747-L1752 HydrophobicContact CB-CD1 4.31Å; L1747-L1752 HydrophobicContact CD2-CD1 3.69Å; L1750-L1752 HydrophobicContact CB-CD1 4.1Å; L1750-L1752 HydrophobicContact CB-CG 3.96Å; L1750-L1752 HydrophobicContact CD1-CD1 4.4Å; L1750-L1752 PolarHBondContact O-N 3.18Å; L1752-K1754 PolarHBondContact O-N 3.43Å; L1752-K1754 VanDerWaalsContact O-N 3.08Å | ||
| 1753 | V | 92.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | trans | -61.6 | 114.6 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | L1494 F1500 F1503 Y1659 A1661 L1665 H1756 | L1494-V1753 HydrophobicContact CD1-CG1 4.29Å; L1494-V1753 HydrophobicContact CD2-CG1 4.03Å; L1494-V1753 HydrophobicContact CD2-CG2 4.33Å; F1500-V1753 HydrophobicContact CD2-CG2 4.34Å; F1500-V1753 HydrophobicContact CE1-CG2 4.27Å; F1500-V1753 HydrophobicContact CE2-CG2 3.82Å; F1500-V1753 HydrophobicContact CZ-CG2 3.79Å; F1503-V1753 HydrophobicContact CE1-CG2 4.14Å; F1503-V1753 HydrophobicContact CZ-CG2 4.13Å; Y1659-V1753 PolarHBondContact O-N 3.34Å; A1661-V1753 HydrophobicContact CB-CG2 3.87Å; L1665-V1753 PolarHBondContact N-O 2.94Å; L1665-V1753 VanDerWaalsContact N-O 3.1Å; V1753-H1756 WeakPolarHBondContact CG1-ND1 2.95Å | ||
| 1754 | K | 92.2 | Very high | 91.6 | Very high | 59 Ų | 59 | 20.7 Ų | 20.7 | 26% | 0.257 | 10% | 0.096 | S | C | . | . | B | Isolated β-bridge | trans | -72.8 | 165.2 | 173 | -60.7 | 173.9 | -175.3 | 170.8 | 0 | 110.1 | G1664 L1752 H1756 | G1664-K1754 WeakPolarHBondContact CA-O 3.47Å; L1752-K1754 PolarHBondContact O-N 3.43Å; L1752-K1754 VanDerWaalsContact O-N 3.08Å; K1754-H1756 PolarHBondContact O-N 2.79Å; K1754-H1756 PolarHBondContact O-ND1 3.32Å |
| 1755 | E | 94 | Very high | 90.4 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -56.2 | 126.1 | 168.8 | -171 | 176.2 | -159.2 | 0 | 0 | 108.8 | K1465 I1487 C1488 L1665 P1666 R1678 F1793 | K1465-E1755 IonicContact NZ-OE1 3.37Å; K1465-E1755 PolarHBondContact NZ-OE1 2.87Å; K1465-E1755 IonicContact NZ-OE2 3.91Å; K1465-E1755 PolarHBondContact NZ-OE2 3.22Å; I1487-E1755 HydrophobicContact CG1-CG 4.17Å; I1487-E1755 HydrophobicContact CG2-CG 4.25Å; I1487-E1755 WeakPolarHBondContact CG2-O 3.33Å; C1488-E1755 WeakPolarHBondContact CB-O 3.33Å; C1488-E1755 PolarHBondContact N-O 3.01Å; L1665-E1755 WeakPolarHBondContact O-CB 3.16Å; L1665-E1755 PolarHBondContact O-N 3.09Å; P1666-E1755 WeakPolarHBondContact CB-OE2 3.4Å; R1678-E1755 IonicContact NH1-OE1 2.76Å; R1678-E1755 PolarHBondContact NH1-OE1 3.25Å; R1678-E1755 VanDerWaalsContact NH1-OE1 3.12Å; E1755-F1793 WeakPolarHBondContact OE1-CE2 3.48Å; E1755-F1793 VanDerWaalsContact OE1-CZ 3.25Å; E1755-F1793 WeakPolarHBondContact OE1-CZ 3.45Å |
| 1756 | H | 94.3 | Very high | 89.2 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 165.6 | -167.7 | 67.9 | -83.5 | 0 | 0 | 0 | 114.3 | I1487 C1488 Y1490 V1753 K1754 | I1487-H1756 VanDerWaalsContact CG2-C 3.41Å; C1488-H1756 HydrophobicContact CB-CB 4.25Å; C1488-H1756 CarbonylContact O-C 3.56Å; C1488-H1756 WeakPolarHBondContact O-CA 3.47Å; C1488-H1756 VanDerWaalsContact O-CB 3.25Å; C1488-H1756 WeakPolarHBondContact O-CB 3.31Å; Y1490-H1756 HydrophobicContact CD2-CB 3.91Å; Y1490-H1756 HydrophobicContact CE2-CB 3.53Å; V1753-H1756 WeakPolarHBondContact CG1-ND1 2.95Å; K1754-H1756 PolarHBondContact O-N 2.79Å; K1754-H1756 PolarHBondContact O-ND1 3.32Å |
| 1757 | V | 95.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.9 | 158 | 172 | 0 | 0 | 0 | 0 | 106.5 | W1462 F1466 I1487 C1488 V1489 Y1490 I1570 Q1776 W1778 | W1462-V1757 HydrophobicContact CZ2-CG2 4.46Å; F1466-V1757 HydrophobicContact CD2-CG2 4.22Å; F1466-V1757 HydrophobicContact CE2-CG1 4.39Å; F1466-V1757 HydrophobicContact CE2-CG2 4.21Å; I1487-V1757 HydrophobicContact CG2-CG2 4.22Å; C1488-V1757 PolarHBondContact O-N 3.09Å; V1489-V1757 WeakPolarHBondContact CA-O 3.44Å; V1489-V1757 HydrophobicContact CG1-CB 4.26Å; V1489-V1757 HydrophobicContact CG1-CG1 4.38Å; V1489-V1757 HydrophobicContact CG2-CB 4.28Å; Y1490-V1757 PolarHBondContact N-O 3.02Å; I1570-V1757 HydrophobicContact CD1-CB 4.06Å; I1570-V1757 HydrophobicContact CD1-CG1 3.31Å; I1570-V1757 HydrophobicContact CD1-CG2 3.53Å; V1757-Q1776 HydrophobicContact CG1-CB 4.06Å; V1757-W1778 HydrophobicContact CG2-CE3 4.04Å; V1757-W1778 HydrophobicContact CG2-CZ3 4.29Å |
| 1758 | E | 94.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 151.3 | 174.3 | 56.8 | 176 | 159.2 | 0 | 0 | 110.8 | L1494 R1654 R1760 Q1776 M1777 | L1494-E1758 HydrophobicContact CB-CB 4.32Å; L1494-E1758 VanDerWaalsContact CB-OE2 3.23Å; L1494-E1758 WeakPolarHBondContact CB-OE2 3.34Å; L1494-E1758 PolarHBondContact N-OE2 2.76Å; R1654-E1758 IonicContact CZ-OE1 2.74Å; R1654-E1758 VanDerWaalsContact CZ-OE1 3.26Å; R1654-E1758 IonicContact CZ-OE2 2.8Å; R1654-E1758 IonicContact NH1-OE1 3.33Å; R1654-E1758 PolarHBondContact NH1-OE1 3.41Å; R1654-E1758 IonicContact NH1-OE2 3.96Å; R1654-E1758 IonicContact NH2-OE1 3.87Å; R1654-E1758 PolarHBondContact NH2-OE1 2.85Å; R1654-E1758 IonicContact NH2-OE2 3.12Å; R1654-E1758 PolarHBondContact NH2-OE2 2.67Å; E1758-R1760 IonicContact OE2-NH1 2.7Å; E1758-R1760 PolarHBondContact OE2-NH1 2.67Å; E1758-Q1776 WeakPolarHBondContact O-CA 3.41Å; E1758-M1777 HydrophobicContact CG-CG 4.5Å; E1758-M1777 WeakPolarHBondContact CG-O 3.24Å; E1758-M1777 PolarHBondContact N-O 3.33Å; E1758-M1777 PolarHBondContact O-N 3.11Å |
| 1759 | T | 94.7 | Very high | 85.2 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 114.6 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 108.7 | Y1490 H1492 P1493 K1774 L1775 Q1776 | Y1490-T1759 WeakPolarHBondContact O-CB 3.46Å; Y1490-T1759 PolarHBondContact O-N 3.06Å; Y1490-T1759 PolarHBondContact O-OG1 2.91Å; H1492-T1759 CarbonylContact C-O 3.5Å; H1492-T1759 WeakPolarHBondContact CA-O 3.49Å; H1492-T1759 PolarHBondContact O-N 2.79Å; P1493-T1759 WeakPolarHBondContact CD-O 3.33Å; T1759-K1774 HydrophobicContact CG2-CB 3.99Å; T1759-K1774 HydrophobicContact CG2-CD 4.3Å; T1759-L1775 WeakPolarHBondContact CA-O 3.22Å; T1759-Q1776 HydrophobicContact CG2-CG 4.19Å; T1759-Q1776 PolarHBondContact OG1-NE2 3.1Å |
| 1760 | R | 94.5 | Very high | 84 | Confident | 14 Ų | 14 | 40 Ų | 40 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 142.7 | -178.1 | -56.9 | -167.6 | 70.4 | 86.5 | 0.1 | 111.2 | P1493 E1495 T1647 D1648 E1758 K1774 L1775 | P1493-R1760 HydrophobicContact CG-CG 4.48Å; E1495-R1760 VanDerWaalsContact CD-NH1 3.33Å; E1495-R1760 IonicContact OE1-CZ 3.8Å; E1495-R1760 VanDerWaalsContact OE1-CZ 3.26Å; E1495-R1760 IonicContact OE1-NH1 3.27Å; E1495-R1760 PolarHBondContact OE1-NH1 3.32Å; E1495-R1760 IonicContact OE1-NH2 3.15Å; E1495-R1760 PolarHBondContact OE1-NH2 3.24Å; E1495-R1760 IonicContact OE2-NH1 2.77Å; E1495-R1760 PolarHBondContact OE2-NH1 3.08Å; E1495-R1760 VanDerWaalsContact OE2-NH1 3.14Å; T1647-R1760 HydrophobicContact CG2-CB 4.01Å; T1647-R1760 PolarHBondContact OG1-NE 3.22Å; D1648-R1760 PolarHBondContact O-NH2 2.86Å; E1758-R1760 IonicContact OE2-NH1 2.7Å; E1758-R1760 PolarHBondContact OE2-NH1 2.67Å; R1760-K1774 CarbonylContact O-C 3.56Å; R1760-K1774 VanDerWaalsContact O-CA 3.3Å; R1760-K1774 WeakPolarHBondContact O-CA 3.43Å; R1760-L1775 PolarHBondContact N-O 2.82Å; R1760-L1775 PolarHBondContact O-N 3.28Å |
| 1761 | L | 92.5 | Very high | 83.5 | Confident | 54 Ų | 54 | 43 Ų | 43 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 140.4 | 172.8 | -55.9 | -178.3 | 0 | 0 | 0 | 109.6 | Y1763 E1771 K1774 | L1761-Y1763 HydrophobicContact CB-CE2 3.87Å; L1761-Y1763 WeakPolarHBondContact CD1-OH 3.42Å; L1761-E1771 HydrophobicContact CD2-CG 4.32Å; L1761-K1774 HydrophobicContact CD2-CD 4.07Å; L1761-K1774 HydrophobicContact CD2-CG 3.82Å |
| 1762 | L | 92.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139.3 | 177.2 | -62.2 | 172.7 | 0 | 0 | 0 | 110.1 | L1575 V1632 T1647 E1771 Q1772 G1773 L1775 | L1575-L1762 HydrophobicContact CD2-CD1 3.57Å; V1632-L1762 HydrophobicContact CB-CD1 4.27Å; V1632-L1762 HydrophobicContact CG2-CD1 3.74Å; V1632-L1762 HydrophobicContact CG2-CD2 4.36Å; T1647-L1762 HydrophobicContact CG2-CD2 4.01Å; L1762-E1771 CarbonylContact O-C 3.43Å; L1762-E1771 WeakPolarHBondContact O-CA 3.27Å; L1762-Q1772 HydrophobicContact CB-CB 4.43Å; L1762-Q1772 PolarHBondContact O-N 3.24Å; L1762-G1773 WeakPolarHBondContact CB-O 3.34Å; L1762-G1773 PolarHBondContact N-O 3.13Å; L1762-L1775 HydrophobicContact CD1-CB 4.37Å; L1762-L1775 HydrophobicContact CD2-CB 4.18Å; L1762-L1775 HydrophobicContact CD2-CD2 4.42Å; L1762-L1775 HydrophobicContact CG-CB 4.33Å |
| 1763 | Y | 84.1 | Confident | 83.1 | Confident | 89 Ų | 89 | 42.8 Ų | 42.8 | 35% | 0.349 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.7 | 176.9 | -63.5 | -82.5 | 0 | 0 | 0 | 111.2 | G1645 Q1646 L1761 P1768 I1770 | G1645-Y1763 CarbonylContact C-O 3.54Å; G1645-Y1763 WeakPolarHBondContact CA-O 3.34Å; Q1646-Y1763 PolarHBondContact N-O 2.76Å; Q1646-Y1763 PolarHBondContact O-N 2.85Å; L1761-Y1763 HydrophobicContact CB-CE2 3.87Å; L1761-Y1763 WeakPolarHBondContact CD1-OH 3.42Å; Y1763-P1768 VanDerWaalsContact CD1-O 3.24Å; Y1763-P1768 WeakPolarHBondContact CD1-O 3.47Å; Y1763-I1770 WeakPolarHBondContact CD1-O 3.43Å |
| 1764 | S | 77.4 | Confident | 83.2 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 137.4 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | L1766 Q1767 P1768 | S1764-L1766 PolarHBondContact O-N 3.37Å; S1764-L1766 VanDerWaalsContact O-N 3.16Å; S1764-L1766 PolarHBondContact OG-N 3.45Å; S1764-Q1767 CarbonylContact O-C 3.52Å; S1764-Q1767 PolarHBondContact O-N 3.2Å; S1764-P1768 WeakPolarHBondContact O-CA 3.34Å |
| 1765 | P | 68.4 | Low | 83.4 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.5 | 172.9 | -23.1 | 32.8 | 0 | 0 | 0 | 113.5 | Q1767 | P1765-Q1767 VanDerWaalsContact C-N 3.33Š|
| 1766 | L | 69.6 | Low | 83.5 | Confident | 159 Ų | 159 | 43.6 Ų | 43.6 | 83% | 0.832 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -17.3 | 177.4 | -60.7 | 173.9 | 0 | 0 | 0 | 112.3 | S1764 | S1764-L1766 PolarHBondContact O-N 3.37Å; S1764-L1766 VanDerWaalsContact O-N 3.16Å; S1764-L1766 PolarHBondContact OG-N 3.45Å |
| 1767 | Q | 66.7 | Low | 83.7 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 65.6 | -175.4 | -68 | 178.5 | 7.7 | 0 | 0 | 110.6 | S1764 P1765 N1769 I1770 | S1764-Q1767 CarbonylContact O-C 3.52Å; S1764-Q1767 PolarHBondContact O-N 3.2Å; P1765-Q1767 VanDerWaalsContact C-N 3.33Å; Q1767-N1769 PolarHBondContact O-N 3.3Å; Q1767-N1769 VanDerWaalsContact O-N 3.08Å; Q1767-I1770 HydrophobicContact CB-CB 4.19Å; Q1767-I1770 HydrophobicContact CB-CD1 4.01Å; Q1767-I1770 HydrophobicContact CB-CG1 4.46Å; Q1767-I1770 HydrophobicContact CG-CD1 4.24Å; Q1767-I1770 PolarHBondContact O-N 2.81Å; Q1767-I1770 VanDerWaalsContact O-N 3.11Å |
| 1768 | P | 63.2 | Low | 83.7 | Confident | 84 Ų | 84 | 43.5 Ų | 43.5 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | -18.7 | -167.3 | 24.1 | -34.6 | 0 | 0 | 0 | 114.9 | Y1763 S1764 | Y1763-P1768 VanDerWaalsContact CD1-O 3.24Å; Y1763-P1768 WeakPolarHBondContact CD1-O 3.47Å; S1764-P1768 WeakPolarHBondContact O-CA 3.34Å |
| 1769 | N | 64.5 | Low | 83.8 | Confident | 156 Ų | 156 | 43.5 Ų | 43.5 | 83% | 0.834 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 12.4 | -179.3 | -62 | -30.5 | 0 | 0 | 0 | 113.1 | Q1767 | Q1767-N1769 PolarHBondContact O-N 3.3Å; Q1767-N1769 VanDerWaalsContact O-N 3.08Å |
| 1770 | I | 64.1 | Low | 83.8 | Confident | 36 Ų | 36 | 43.2 Ų | 43.2 | 19% | 0.185 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.1 | -175.5 | -62.8 | 168.7 | 0 | 0 | 0 | 110.2 | F251 Y1763 Q1767 Q1772 | F251-I1770 HydrophobicContact CD1-CG2 4.21Å; F251-I1770 HydrophobicContact CD2-CG2 3.87Å; F251-I1770 HydrophobicContact CE1-CD1 4.28Å; F251-I1770 HydrophobicContact CE1-CG2 3.67Å; F251-I1770 HydrophobicContact CE2-CB 4.22Å; F251-I1770 HydrophobicContact CE2-CD1 4.38Å; F251-I1770 HydrophobicContact CE2-CG1 3.99Å; F251-I1770 HydrophobicContact CE2-CG2 3.32Å; F251-I1770 HydrophobicContact CG-CG2 4.33Å; F251-I1770 HydrophobicContact CZ-CB 4.08Å; F251-I1770 HydrophobicContact CZ-CD1 3.57Å; F251-I1770 HydrophobicContact CZ-CG1 3.68Å; F251-I1770 HydrophobicContact CZ-CG2 3.22Å; Y1763-I1770 WeakPolarHBondContact CD1-O 3.43Å; Q1767-I1770 HydrophobicContact CB-CB 4.19Å; Q1767-I1770 HydrophobicContact CB-CD1 4.01Å; Q1767-I1770 HydrophobicContact CB-CG1 4.46Å; Q1767-I1770 HydrophobicContact CG-CD1 4.24Å; Q1767-I1770 PolarHBondContact O-N 2.81Å; Q1767-I1770 VanDerWaalsContact O-N 3.11Å; I1770-Q1772 PolarHBondContact O-NE2 3.24Å |
| 1771 | E | 80.3 | Confident | 83.9 | Confident | 71 Ų | 71 | 42.6 Ų | 42.6 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 127.7 | 173.2 | -177.9 | -173 | 170.1 | 0 | 0 | 111.3 | L1761 L1762 K1774 | L1761-E1771 HydrophobicContact CD2-CG 4.32Å; L1762-E1771 CarbonylContact O-C 3.43Å; L1762-E1771 WeakPolarHBondContact O-CA 3.27Å; E1771-K1774 WeakPolarHBondContact OE1-CE 3.45Å; E1771-K1774 WeakPolarHBondContact OE1-CG 3.47Å; E1771-K1774 IonicContact OE1-NZ 2.85Å |
| 1772 | Q | 82.4 | Confident | 84 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 20.5 | -178.9 | -52.8 | -63.1 | -49.4 | 0 | 0 | 112.4 | Q1576 I1644 L1762 I1770 | Q1576-Q1772 HydrophobicContact CB-CB 4.06Å; Q1576-Q1772 VanDerWaalsContact CG-OE1 3.23Å; Q1576-Q1772 PolarHBondContact N-O 3.15Å; I1644-Q1772 WeakPolarHBondContact O-CB 3.22Å; I1644-Q1772 VanDerWaalsContact O-CG 3.3Å; I1644-Q1772 WeakPolarHBondContact O-CG 3.38Å; L1762-Q1772 HydrophobicContact CB-CB 4.43Å; L1762-Q1772 PolarHBondContact O-N 3.24Å; I1770-Q1772 PolarHBondContact O-NE2 3.24Å |
| 1773 | G | 87.2 | Confident | 84.1 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.6 | -177.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1574 L1762 | D1574-G1773 WeakPolarHBondContact O-CA 3.43Å; L1762-G1773 WeakPolarHBondContact CB-O 3.34Å; L1762-G1773 PolarHBondContact N-O 3.13Å |
| 1774 | K | 93.5 | Very high | 84.4 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.3 | -174.8 | -52.6 | -177 | -175.8 | 170.8 | 0 | 111.5 | A1572 I1573 T1759 R1760 L1761 E1771 | A1572-K1774 CarbonylContact C-O 3.55Å; A1572-K1774 WeakPolarHBondContact CA-O 3.14Å; A1572-K1774 WeakPolarHBondContact CB-O 3.34Å; I1573-K1774 HydrophobicContact CB-CB 4.45Å; I1573-K1774 PolarHBondContact N-O 2.79Å; I1573-K1774 PolarHBondContact O-N 2.96Å; T1759-K1774 HydrophobicContact CG2-CB 3.99Å; T1759-K1774 HydrophobicContact CG2-CD 4.3Å; R1760-K1774 CarbonylContact O-C 3.56Å; R1760-K1774 VanDerWaalsContact O-CA 3.3Å; R1760-K1774 WeakPolarHBondContact O-CA 3.43Å; L1761-K1774 HydrophobicContact CD2-CD 4.07Å; L1761-K1774 HydrophobicContact CD2-CG 3.82Å; E1771-K1774 WeakPolarHBondContact OE1-CE 3.45Å; E1771-K1774 WeakPolarHBondContact OE1-CG 3.47Å; E1771-K1774 IonicContact OE1-NZ 2.85Å |
| 1775 | L | 96.8 | Very high | 85 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.5 | 179.9 | -170.4 | 66.2 | 0 | 0 | 0 | 110.7 | I1569 A1572 F1612 V1630 V1632 T1759 R1760 L1762 M1777 | I1569-L1775 HydrophobicContact CD1-CD2 4.33Å; I1569-L1775 HydrophobicContact CG2-CD1 3.77Å; I1569-L1775 HydrophobicContact CG2-CG 4.42Å; A1572-L1775 HydrophobicContact CB-CD1 3.92Å; F1612-L1775 HydrophobicContact CE2-CD1 4.21Å; V1630-L1775 HydrophobicContact CB-CD2 4.38Å; V1630-L1775 HydrophobicContact CG1-CD2 3.44Å; V1630-L1775 VanDerWaalsContact CG1-CD2 3.44Å; V1632-L1775 HydrophobicContact CG2-CD1 4.32Å; V1632-L1775 HydrophobicContact CG2-CD2 4.46Å; T1759-L1775 WeakPolarHBondContact CA-O 3.22Å; R1760-L1775 PolarHBondContact N-O 2.82Å; R1760-L1775 PolarHBondContact O-N 3.28Å; L1762-L1775 HydrophobicContact CD1-CB 4.37Å; L1762-L1775 HydrophobicContact CD2-CB 4.18Å; L1762-L1775 HydrophobicContact CD2-CD2 4.42Å; L1762-L1775 HydrophobicContact CG-CB 4.33Å; L1775-M1777 HydrophobicContact CD2-SD 3.88Å; L1775-M1777 HydrophobicContact CG-CG 4.47Å; L1775-M1777 HydrophobicContact CG-SD 4.44Å |
| 1776 | Q | 97.1 | Very high | 85.9 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.1 | 172.1 | -65.5 | -165.4 | -47.2 | 0 | 0 | 110.1 | I1570 R1571 I1573 V1757 E1758 T1759 | I1570-Q1776 HydrophobicContact CB-CB 4.4Å; I1570-Q1776 WeakPolarHBondContact CB-O 3.43Å; I1570-Q1776 HydrophobicContact CD1-CB 4.27Å; I1570-Q1776 PolarHBondContact N-O 3.07Å; R1571-Q1776 HydrophobicContact CG-CB 4.29Å; R1571-Q1776 PolarHBondContact O-N 2.92Å; I1573-Q1776 HydrophobicContact CD1-CG 4.01Å; V1757-Q1776 HydrophobicContact CG1-CB 4.06Å; E1758-Q1776 WeakPolarHBondContact O-CA 3.41Å; T1759-Q1776 HydrophobicContact CG2-CG 4.19Å; T1759-Q1776 PolarHBondContact OG1-NE2 3.1Å |
| 1777 | M | 97.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 174.8 | -173.7 | 60.1 | 171.3 | -67.6 | 0 | 0 | 111.7 | V1567 Y1568 I1569 V1630 I1649 E1758 L1775 V1779 | V1567-M1777 HydrophobicContact CG1-CE 3.7Å; Y1568-M1777 WeakPolarHBondContact O-CA 3.43Å; Y1568-M1777 WeakPolarHBondContact O-CB 3.38Å; I1569-M1777 HydrophobicContact CD1-CB 3.82Å; I1569-M1777 HydrophobicContact CD1-CE 3.97Å; I1569-M1777 HydrophobicContact CD1-SD 3.99Å; V1630-M1777 HydrophobicContact CB-SD 4.47Å; V1630-M1777 HydrophobicContact CG1-SD 4.33Å; V1630-M1777 HydrophobicContact CG2-CE 3.97Å; V1630-M1777 HydrophobicContact CG2-SD 4.1Å; I1649-M1777 HydrophobicContact CD1-CE 3.66Å; I1649-M1777 HydrophobicContact CD1-SD 4.21Å; E1758-M1777 HydrophobicContact CG-CG 4.5Å; E1758-M1777 WeakPolarHBondContact CG-O 3.24Å; E1758-M1777 PolarHBondContact N-O 3.33Å; E1758-M1777 PolarHBondContact O-N 3.11Å; L1775-M1777 HydrophobicContact CD2-SD 3.88Å; L1775-M1777 HydrophobicContact CG-CG 4.47Å; L1775-M1777 HydrophobicContact CG-SD 4.44Å; M1777-V1779 HydrophobicContact CE-CG2 3.62Å |
| 1778 | W | 96.3 | Very high | 87.4 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 167.1 | 159.3 | 73.6 | 96 | 0 | 0 | 0 | 110 | W1462 Y1568 I1570 V1757 F1793 I1795 | W1462-W1778 AromaticContact CE2-CH2 3.67Å; W1462-W1778 AromaticContact CH2-CH2 3.99Å; W1462-W1778 HydrophobicContact CH2-CH2 3.99Å; W1462-W1778 AromaticContact CH2-CZ3 3.76Å; W1462-W1778 HydrophobicContact CH2-CZ3 3.76Å; W1462-W1778 HydrophobicContact CZ2-CE3 4.5Å; W1462-W1778 AromaticContact CZ2-CH2 3.31Å; W1462-W1778 HydrophobicContact CZ2-CH2 3.31Å; W1462-W1778 HydrophobicContact CZ2-CZ2 4.44Å; W1462-W1778 AromaticContact CZ2-CZ3 3.35Å; W1462-W1778 HydrophobicContact CZ2-CZ3 3.35Å; W1462-W1778 AromaticContact NE1-CH2 3.95Å; Y1568-W1778 AromaticContact CD1-CE2 3.97Å; Y1568-W1778 AromaticContact CD1-CH2 3.74Å; Y1568-W1778 HydrophobicContact CD1-CH2 3.74Å; Y1568-W1778 AromaticContact CD1-CZ2 3.3Å; Y1568-W1778 HydrophobicContact CD1-CZ2 3.3Å; Y1568-W1778 AromaticContact CD2-CD1 3.85Å; Y1568-W1778 HydrophobicContact CD2-CD2 4.11Å; Y1568-W1778 AromaticContact CD2-CE2 3.31Å; Y1568-W1778 HydrophobicContact CD2-CG 4.41Å; Y1568-W1778 AromaticContact CD2-CZ2 3.57Å; Y1568-W1778 HydrophobicContact CD2-CZ2 3.57Å; Y1568-W1778 AromaticContact CD2-NE1 3.11Å; Y1568-W1778 AromaticContact CE1-CZ2 3.87Å; Y1568-W1778 HydrophobicContact CE1-CZ2 3.87Å; Y1568-W1778 AromaticContact CE2-CE2 3.99Å; Y1568-W1778 HydrophobicContact CE2-CZ2 4.08Å; Y1568-W1778 AromaticContact CE2-NE1 3.55Å; Y1568-W1778 AromaticContact CG-CD2 3.99Å; Y1568-W1778 HydrophobicContact CG-CD2 3.99Å; Y1568-W1778 AromaticContact CG-CE2 3.29Å; Y1568-W1778 HydrophobicContact CG-CE3 4.43Å; Y1568-W1778 AromaticContact CG-CH2 3.71Å; Y1568-W1778 HydrophobicContact CG-CH2 3.71Å; Y1568-W1778 AromaticContact CG-CZ2 3.13Å; Y1568-W1778 HydrophobicContact CG-CZ2 3.13Å; Y1568-W1778 HydrophobicContact CG-CZ3 4.31Å; Y1568-W1778 AromaticContact CG-NE1 3.66Å; Y1568-W1778 PolarHBondContact N-O 2.82Å; Y1568-W1778 PolarHBondContact O-N 3.12Å; Y1568-W1778 VanDerWaalsContact O-N 3.08Å; I1570-W1778 HydrophobicContact CD1-CE3 3.86Å; I1570-W1778 HydrophobicContact CD1-CZ3 3.61Å; I1570-W1778 HydrophobicContact CG1-CE3 4.07Å; I1570-W1778 HydrophobicContact CG1-CZ3 3.54Å; V1757-W1778 HydrophobicContact CG2-CE3 4.04Å; V1757-W1778 HydrophobicContact CG2-CZ3 4.29Å; W1778-F1793 HydrophobicContact CZ2-CD2 4.06Å; W1778-I1795 HydrophobicContact CH2-CD1 4.48Å; W1778-I1795 HydrophobicContact CH2-CG2 3.97Å |
| 1779 | V | 96.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.1 | -179.2 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | V1567 L1628 I1649 L1651 M1777 I1781 | V1567-V1779 HydrophobicContact CG1-CG2 4.31Å; V1567-V1779 HydrophobicContact CG2-CG1 4.35Å; L1628-V1779 HydrophobicContact CD2-CG1 4.24Å; L1628-V1779 HydrophobicContact CD2-CG2 3.68Å; I1649-V1779 HydrophobicContact CD1-CG2 3.93Å; L1651-V1779 HydrophobicContact CD2-CG1 3.94Å; M1777-V1779 HydrophobicContact CE-CG2 3.62Å; V1779-I1781 HydrophobicContact CG1-CG1 4.14Å |
| 1780 | D | 95.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 136.2 | 167 | -73.1 | -34.4 | 0 | 0 | 0 | 110.1 | L1565 R1566 T1662 C1663 R1678 F1782 | L1565-D1780 WeakPolarHBondContact CA-O 3Å; R1566-D1780 HydrophobicContact CB-CB 4.32Å; R1566-D1780 PolarHBondContact N-O 2.77Å; R1566-D1780 PolarHBondContact O-N 3.32Å; T1662-D1780 CarbonylContact O-C 3.58Å; T1662-D1780 WeakPolarHBondContact O-CA 3.46Å; C1663-D1780 WeakPolarHBondContact CA-OD1 3.44Å; C1663-D1780 PolarHBondContact SG-OD1 3.36Å; C1663-D1780 VanDerWaalsContact SG-OD1 3.35Å; R1678-D1780 IonicContact CZ-OD2 3.9Å; R1678-D1780 IonicContact NE-OD2 3.77Å; R1678-D1780 PolarHBondContact NE-OD2 3.46Å; R1678-D1780 IonicContact NH2-OD1 2.7Å; R1678-D1780 IonicContact NH2-OD2 3.8Å; R1678-D1780 PolarHBondContact NH2-OD2 2.76Å; R1678-D1780 VanDerWaalsContact NH2-OD2 3.15Å; D1780-F1782 HydrophobicContact CB-CD2 4.41Å; D1780-F1782 HydrophobicContact CB-CE2 3.46Å; D1780-F1782 VanDerWaalsContact CB-CE2 3.46Å; D1780-F1782 HydrophobicContact CB-CZ 3.58Å |
| 1781 | I | 96.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.1 | -177 | -49.6 | 176.9 | 0 | 0 | 0 | 109.6 | C1563 L1565 L1622 L1651 R1654 T1662 V1779 | C1563-I1781 HydrophobicContact CB-CG2 4.03Å; L1565-I1781 HydrophobicContact CD2-CB 4.21Å; L1565-I1781 HydrophobicContact CD2-CG1 3.81Å; L1565-I1781 HydrophobicContact CD2-CG2 3.96Å; L1622-I1781 HydrophobicContact CD1-CG2 4.22Å; L1651-I1781 HydrophobicContact CB-CD1 4.29Å; L1651-I1781 HydrophobicContact CD2-CD1 3.95Å; L1651-I1781 HydrophobicContact CD2-CG1 4.44Å; R1654-I1781 HydrophobicContact CB-CD1 3.86Å; T1662-I1781 HydrophobicContact CG2-CB 4.3Å; T1662-I1781 PolarHBondContact O-N 3.03Å; V1779-I1781 HydrophobicContact CG1-CG1 4.14Å |
| 1782 | F | 95.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 112.1 | -178 | -53.8 | -76.3 | 0 | 0 | 0 | 111.9 | C1563 M1564 R1566 C1663 D1780 T1784 P1789 | C1563-F1782 CarbonylContact C-O 3.5Å; C1563-F1782 WeakPolarHBondContact CA-O 3.25Å; M1564-F1782 HydrophobicContact CB-CB 4.35Å; M1564-F1782 PolarHBondContact N-O 2.84Å; M1564-F1782 PolarHBondContact O-N 3Å; R1566-F1782 HydrophobicContact CG-CE2 4.28Å; C1663-F1782 HydrophobicContact CB-CE1 3.94Å; C1663-F1782 HydrophobicContact CB-CZ 4.33Å; D1780-F1782 HydrophobicContact CB-CD2 4.41Å; D1780-F1782 HydrophobicContact CB-CE2 3.46Å; D1780-F1782 VanDerWaalsContact CB-CE2 3.46Å; D1780-F1782 HydrophobicContact CB-CZ 3.58Å; F1782-T1784 PolarHBondContact O-N 3.3Å; F1782-P1789 HydrophobicContact CB-CB 4.18Å; F1782-P1789 HydrophobicContact CB-CG 4.3Å; F1782-P1789 HydrophobicContact CD1-CB 3.77Å; F1782-P1789 HydrophobicContact CD2-CB 3.71Å; F1782-P1789 HydrophobicContact CD2-CG 3.9Å; F1782-P1789 HydrophobicContact CE1-CB 4.02Å; F1782-P1789 HydrophobicContact CE2-CB 3.94Å; F1782-P1789 HydrophobicContact CE2-CG 4.39Å; F1782-P1789 HydrophobicContact CG-CB 3.6Å; F1782-P1789 HydrophobicContact CG-CG 4.05Å; F1782-P1789 HydrophobicContact CZ-CB 4.08Å |
| 1783 | P | 93.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 127.5 | 169.9 | -27.9 | 36.5 | 0 | 0 | 0 | 112 | E1561 S1785 L1786 | E1561-P1783 HydrophobicContact CG-CB 4.32Å; E1561-P1783 WeakPolarHBondContact OE1-CB 3.21Å; P1783-S1785 PolarHBondContact O-N 2.87Å; P1783-L1786 HydrophobicContact CB-CD1 4.06Å; P1783-L1786 HydrophobicContact CB-CG 4.15Å; P1783-L1786 HydrophobicContact CG-CD1 4.03Å; P1783-L1786 PolarHBondContact O-N 3.28Å; P1783-L1786 VanDerWaalsContact O-N 3.11Å |
| 1784 | T | 91.1 | Very high | 91.3 | Very high | 48 Ų | 48 | 40 Ų | 40 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -68.1 | -20.9 | -178.6 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | E1562 M1564 F1782 L1786 G1787 | E1562-T1784 HydrophobicContact CG-CG2 4.06Å; E1562-T1784 PolarHBondContact O-N 3.03Å; E1562-T1784 PolarHBondContact O-OG1 3.18Å; E1562-T1784 WeakPolarHBondContact OE2-CG2 3.15Å; E1562-T1784 PolarHBondContact OE2-OG1 3.17Å; M1564-T1784 HydrophobicContact CB-CG2 4.37Å; F1782-T1784 PolarHBondContact O-N 3.3Å; T1784-L1786 PolarHBondContact O-N 3.11Å; T1784-G1787 PolarHBondContact O-N 3.27Å |
| 1785 | S | 88.8 | Confident | 91.1 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 60% | 0.601 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -60.2 | -22.6 | 172.5 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | E1561 P1783 | E1561-S1785 PolarHBondContact OE1-OG 3.39Å; P1783-S1785 PolarHBondContact O-N 2.87Å |
| 1786 | L | 87.9 | Confident | 90.6 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -91.4 | 3.3 | -178.9 | -62.6 | 175.4 | 0 | 0 | 0 | 113.8 | K1681 P1783 T1784 | K1681-L1786 HydrophobicContact CD-CD1 4.44Å; K1681-L1786 HydrophobicContact CG-CD1 4.45Å; P1783-L1786 HydrophobicContact CB-CD1 4.06Å; P1783-L1786 HydrophobicContact CB-CG 4.15Å; P1783-L1786 HydrophobicContact CG-CD1 4.03Å; P1783-L1786 PolarHBondContact O-N 3.28Å; P1783-L1786 VanDerWaalsContact O-N 3.11Å; T1784-L1786 PolarHBondContact O-N 3.11Å |
| 1787 | G | 84.9 | Confident | 89.9 | Confident | 40 Ų | 40 | 41.6 Ų | 41.6 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | trans | 89.3 | -175.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1784 | T1784-G1787 PolarHBondContact O-N 3.27Š| ||
| 1788 | E | 83.5 | Confident | 89.1 | Confident | 186 Ų | 186 | 43.1 Ų | 43.1 | 87% | 0.869 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 130.5 | -177.4 | -66.7 | -171.5 | 168.6 | 0 | 0 | 111.1 | ||
| 1789 | P | 87 | Confident | 88.2 | Confident | 24 Ų | 24 | 51 Ų | 51 | 16% | 0.156 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 158.5 | 174.2 | 26.9 | -32.9 | 0 | 0 | 0 | 111.2 | S1680 F1782 | S1680-P1789 VanDerWaalsContact OG-CA 3.32Å; S1680-P1789 WeakPolarHBondContact OG-CA 3.26Å; F1782-P1789 HydrophobicContact CB-CB 4.18Å; F1782-P1789 HydrophobicContact CB-CG 4.3Å; F1782-P1789 HydrophobicContact CD1-CB 3.77Å; F1782-P1789 HydrophobicContact CD2-CB 3.71Å; F1782-P1789 HydrophobicContact CD2-CG 3.9Å; F1782-P1789 HydrophobicContact CE1-CB 4.02Å; F1782-P1789 HydrophobicContact CE2-CB 3.94Å; F1782-P1789 HydrophobicContact CE2-CG 4.39Å; F1782-P1789 HydrophobicContact CG-CB 3.6Å; F1782-P1789 HydrophobicContact CG-CG 4.05Å; F1782-P1789 HydrophobicContact CZ-CB 4.08Å |
| 1790 | G | 84.7 | Confident | 87.4 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -58 | 172.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1566 R1678 | R1566-G1790 VanDerWaalsContact CZ-O 3.25Å; R1566-G1790 PolarHBondContact NH1-O 3.15Å; R1566-G1790 PolarHBondContact NH2-O 2.92Å; R1678-G1790 WeakPolarHBondContact O-CA 3.28Å; R1678-G1790 PolarHBondContact O-N 2.93Å |
| 1791 | P | 87.7 | Confident | 86.8 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 138.8 | -177.9 | 24.5 | -32.5 | 0 | 0 | 0 | 111.1 | Q1676 | Q1676-P1791 HydrophobicContact CG-CG 4.24Š|
| 1792 | P | 89.5 | Confident | 86.3 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -68 | 154.2 | 174.6 | 30.1 | -33.7 | 0 | 0 | 0 | 110.1 | Y1568 M1615 D1794 | Y1568-P1792 WeakPolarHBondContact OH-CA 3.42Å; Y1568-P1792 VanDerWaalsContact OH-CB 3.27Å; Y1568-P1792 WeakPolarHBondContact OH-CB 3.36Å; M1615-P1792 HydrophobicContact CE-CB 3.83Å; M1615-P1792 HydrophobicContact CE-CG 3.94Å; P1792-D1794 PolarHBondContact O-N 2.8Å |
| 1793 | F | 88.8 | Confident | 86 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 134.2 | 166.1 | -72.6 | -45.7 | 0 | 0 | 0 | 111.1 | W1462 Y1568 P1674 R1678 E1755 W1778 I1795 | W1462-F1793 AromaticContact CD1-CD2 3.65Å; W1462-F1793 AromaticContact CD1-CE2 3.94Å; W1462-F1793 AromaticContact CD1-CG 3.66Å; W1462-F1793 HydrophobicContact CG-CB 4.48Å; W1462-F1793 AromaticContact NE1-CD2 3.68Å; W1462-F1793 AromaticContact NE1-CE2 3.9Å; Y1568-F1793 HydrophobicContact CE1-CB 4.09Å; Y1568-F1793 PolarHBondContact OH-N 2.85Å; P1674-F1793 VanDerWaalsContact O-CE1 3.24Å; P1674-F1793 WeakPolarHBondContact O-CE1 3.41Å; R1678-F1793 HydrophobicContact CG-CE1 4.47Å; R1678-F1793 HydrophobicContact CG-CZ 4.41Å; E1755-F1793 WeakPolarHBondContact OE1-CE2 3.48Å; E1755-F1793 VanDerWaalsContact OE1-CZ 3.25Å; E1755-F1793 WeakPolarHBondContact OE1-CZ 3.45Å; W1778-F1793 HydrophobicContact CZ2-CD2 4.06Å; F1793-I1795 HydrophobicContact CB-CG2 3.9Å; F1793-I1795 PolarHBondContact O-N 2.87Å |
| 1794 | D | 85.5 | Confident | 85.9 | Confident | 117 Ų | 117 | 60 Ų | 60 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | trans | -79.5 | 107.6 | 162.4 | -173.1 | 5.2 | 0 | 0 | 0 | 108.3 | W1462 P1792 S1796 | W1462-D1794 WeakPolarHBondContact CB-O 3.48Å; P1792-D1794 PolarHBondContact O-N 2.8Å; D1794-S1796 WeakPolarHBondContact OD1-CB 3.45Å; D1794-S1796 PolarHBondContact OD1-N 2.93Å; D1794-S1796 PolarHBondContact OD1-OG 3.04Å | ||
| 1795 | I | 89.6 | Confident | 86 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | trans | -109.9 | 15.6 | 177.2 | 64.2 | 161.3 | 0 | 0 | 0 | 112 | W1462 W1463 Y1568 G1613 W1778 F1793 | W1462-I1795 HydrophobicContact CB-CG2 4.31Å; W1462-I1795 HydrophobicContact CD2-CB 4.36Å; W1462-I1795 HydrophobicContact CD2-CG2 3.45Å; W1462-I1795 VanDerWaalsContact CD2-CG2 3.45Å; W1462-I1795 HydrophobicContact CE3-CB 3.99Å; W1462-I1795 HydrophobicContact CE3-CG2 3.57Å; W1462-I1795 HydrophobicContact CG-CG2 3.78Å; W1462-I1795 HydrophobicContact CZ2-CG2 4.44Å; W1462-I1795 HydrophobicContact CZ3-CB 4.36Å; W1462-I1795 HydrophobicContact CZ3-CG2 4.12Å; W1463-I1795 PolarHBondContact NE1-O 2.83Å; W1463-I1795 VanDerWaalsContact NE1-O 3.14Å; Y1568-I1795 HydrophobicContact CD1-CD1 3.8Å; Y1568-I1795 HydrophobicContact CD1-CG1 4.18Å; Y1568-I1795 HydrophobicContact CD1-CG2 4.32Å; Y1568-I1795 HydrophobicContact CG-CD1 4.45Å; G1613-I1795 CarbonylContact C-O 3.55Å; G1613-I1795 VanDerWaalsContact CA-O 3.23Å; G1613-I1795 WeakPolarHBondContact CA-O 3.34Å; G1613-I1795 CarbonylContact O-C 3.07Å; W1778-I1795 HydrophobicContact CH2-CD1 4.48Å; W1778-I1795 HydrophobicContact CH2-CG2 3.97Å; F1793-I1795 HydrophobicContact CB-CG2 3.9Å; F1793-I1795 PolarHBondContact O-N 2.87Å | ||
| 1796 | S | 86.4 | Confident | 86.2 | Confident | 67 Ų | 67 | 54 Ų | 54 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 135.5 | 176.8 | -53.3 | 0 | 0 | 0 | 0 | 109.3 | W1463 D1794 | W1463-S1796 PolarHBondContact NE1-O 2.82Å; W1463-S1796 VanDerWaalsContact NE1-O 3.1Å; D1794-S1796 WeakPolarHBondContact OD1-CB 3.45Å; D1794-S1796 PolarHBondContact OD1-N 2.93Å; D1794-S1796 PolarHBondContact OD1-OG 3.04Å |
| 1797 | P | 81.6 | Confident | 86.5 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 144.1 | 176 | -25.1 | 35.4 | 0 | 0 | 0 | 111.2 | ||
| 1798 | R | 80.7 | Confident | 86.9 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 13% | 0.125 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 136.4 | -178.8 | -66.6 | 169.8 | 171.8 | 167.9 | -3.1 | 110.9 | D1461 S1464 K1475 L1869 | D1461-R1798 IonicContact OD1-CZ 2.67Å; D1461-R1798 IonicContact OD1-NE 3.87Å; D1461-R1798 PolarHBondContact OD1-NE 2.87Å; D1461-R1798 IonicContact OD1-NH2 2.67Å; D1461-R1798 PolarHBondContact OD1-NH2 2.82Å; D1461-R1798 VanDerWaalsContact OD2-CG 3.25Å; D1461-R1798 WeakPolarHBondContact OD2-CG 3.5Å; D1461-R1798 IonicContact OD2-CZ 3.11Å; D1461-R1798 IonicContact OD2-NE 3.41Å; D1461-R1798 PolarHBondContact OD2-NE 2.76Å; D1461-R1798 IonicContact OD2-NH2 3.61Å; S1464-R1798 PolarHBondContact OG-NH2 2.77Å; K1475-R1798 PolarHBondContact O-NH1 2.93Å; K1475-R1798 PolarHBondContact O-NH2 2.83Å; R1798-L1869 HydrophobicContact CB-CD1 3.74Å; R1798-L1869 HydrophobicContact CB-CD2 3.97Å; R1798-L1869 HydrophobicContact CB-CG 4.23Å; R1798-L1869 VanDerWaalsContact O-CD1 3.22Å; R1798-L1869 WeakPolarHBondContact O-CD1 3.34Å |
| 1799 | E | 77.7 | Confident | 87.4 | Confident | 173 Ų | 173 | 40 Ų | 40 | 81% | 0.808 | 22% | 0.223 | S | C | * | . | P | Polyproline II helix | trans | -91.8 | 135.9 | 177.5 | -65.8 | -171.8 | 170.3 | 0 | 0 | 112.3 | ||
| 1800 | P | 80.4 | Confident | 87.7 | Confident | 26 Ų | 26 | 42 Ų | 42 | 17% | 0.169 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -82.3 | 144.1 | -179.5 | 34.5 | -37 | 0 | 0 | 0 | 112.2 | F1867 L1869 V1876 | P1800-F1867 HydrophobicContact CB-CB 3.93Å; P1800-F1867 HydrophobicContact CG-CB 4.03Å; P1800-L1869 HydrophobicContact CB-CB 4.37Å; P1800-L1869 HydrophobicContact CB-CD1 3.97Å; P1800-V1876 HydrophobicContact CB-CB 3.98Å; P1800-V1876 HydrophobicContact CB-CG2 3.65Å; P1800-V1876 HydrophobicContact CG-CB 3.9Å; P1800-V1876 HydrophobicContact CG-CG1 4.13Å; P1800-V1876 HydrophobicContact CG-CG2 3.9Å |
| 1801 | N | 81.9 | Confident | 88 | Confident | 85 Ų | 85 | 42.4 Ų | 42.4 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 142.6 | 176.2 | -70.4 | -58.6 | 0 | 0 | 0 | 110.6 | Y1803 F1867 Y1868 | N1801-Y1803 HydrophobicContact CB-CD2 4.17Å; N1801-Y1803 HydrophobicContact CB-CE2 3.67Å; N1801-Y1803 WeakPolarHBondContact O-CD2 3.01Å; N1801-F1867 CarbonylContact O-C 3.54Å; N1801-F1867 WeakPolarHBondContact O-CA 3.5Å; N1801-Y1868 PolarHBondContact N-O 3.2Å; N1801-Y1868 PolarHBondContact O-N 3.02Å |
| 1802 | E | 86.3 | Confident | 88.2 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121.5 | 177 | -164 | 174.3 | 156.6 | 0 | 0 | 111 | F1867 K1985 | E1802-F1867 HydrophobicContact CB-CD1 3.9Å; E1802-F1867 HydrophobicContact CB-CE1 3.81Å; E1802-F1867 HydrophobicContact CG-CD1 4.16Å; E1802-F1867 HydrophobicContact CG-CE1 3.86Å; E1802-F1867 HydrophobicContact CG-CZ 4.27Å; E1802-K1985 HydrophobicContact CB-CB 4.02Å; E1802-K1985 HydrophobicContact CB-CD 4.43Å; E1802-K1985 HydrophobicContact CG-CB 4.17Å; E1802-K1985 HydrophobicContact CG-CD 4.33Å; E1802-K1985 HydrophobicContact CG-CG 4.47Å; E1802-K1985 PolarHBondContact O-N 3.12Å; E1802-K1985 WeakPolarHBondContact OE1-CE 3.49Å; E1802-K1985 IonicContact OE1-NZ 2.81Å; E1802-K1985 PolarHBondContact OE1-NZ 3.24Å; E1802-K1985 VanDerWaalsContact OE2-CD 3.3Å; E1802-K1985 WeakPolarHBondContact OE2-CD 3.26Å; E1802-K1985 IonicContact OE2-NZ 2.64Å; E1802-K1985 PolarHBondContact OE2-NZ 3.23Å |
| 1803 | Y | 89 | Confident | 88.3 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 7% | 0.071 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 155.6 | 176.6 | -75.7 | -91.1 | 0 | 0 | 0 | 110.5 | N1801 P1865 F1866 Y1868 L1982 V1983 T1984 | N1801-Y1803 HydrophobicContact CB-CD2 4.17Å; N1801-Y1803 HydrophobicContact CB-CE2 3.67Å; N1801-Y1803 WeakPolarHBondContact O-CD2 3.01Å; Y1803-P1865 CarbonylContact O-C 3.57Å; Y1803-P1865 WeakPolarHBondContact O-CA 3.46Å; Y1803-F1866 PolarHBondContact N-O 2.78Å; Y1803-F1866 PolarHBondContact O-N 2.89Å; Y1803-Y1868 HydrophobicContact CD2-CD1 4.35Å; Y1803-Y1868 HydrophobicContact CE2-CD1 4.05Å; Y1803-L1982 HydrophobicContact CD1-CD1 4.21Å; Y1803-L1982 HydrophobicContact CD1-CD2 3.84Å; Y1803-L1982 HydrophobicContact CD1-CG 3.82Å; Y1803-L1982 HydrophobicContact CE1-CD2 4.15Å; Y1803-L1982 HydrophobicContact CE1-CG 4.49Å; Y1803-L1982 HydrophobicContact CG-CD1 4.46Å; Y1803-V1983 CarbonylContact C-O 3.12Å; Y1803-V1983 WeakPolarHBondContact CA-O 3.37Å; Y1803-T1984 HydrophobicContact CD1-CG2 4.09Å; Y1803-T1984 HydrophobicContact CE1-CG2 3.61Å |
| 1804 | I | 91 | Very high | 88.3 | Confident | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 113.6 | 172.2 | -50.7 | -168.8 | 0 | 0 | 0 | 107.5 | R1806 V1863 F1864 P1865 V1983 A1988 | I1804-R1806 HydrophobicContact CG2-CG 4.32Å; I1804-V1863 HydrophobicContact CG2-CG1 3.4Å; I1804-F1864 WeakPolarHBondContact CA-O 3.34Å; I1804-P1865 HydrophobicContact CG1-CB 4.34Å; I1804-V1983 HydrophobicContact CB-CG2 3.97Å; I1804-V1983 PolarHBondContact N-O 3.33Å; I1804-V1983 WeakPolarHBondContact O-CG2 3.3Å; I1804-V1983 PolarHBondContact O-N 3.45Å; I1804-V1983 VanDerWaalsContact O-N 3.08Å; I1804-A1988 HydrophobicContact CB-CB 4.41Å; I1804-A1988 HydrophobicContact CD1-CB 3.51Å; I1804-A1988 HydrophobicContact CG1-CB 4.11Å |
| 1805 | L | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.4 | 169.4 | 175.4 | 66.1 | 0 | 0 | 0 | 108.4 | L1836 F1864 F1866 L1897 L1920 L1950 M1980 L1982 | L1805-L1836 HydrophobicContact CD2-CD2 3.95Å; L1805-F1864 HydrophobicContact CB-CB 4.37Å; L1805-F1864 HydrophobicContact CD2-CD2 4.17Å; L1805-F1864 HydrophobicContact CG-CD2 4.42Å; L1805-F1864 PolarHBondContact N-O 2.83Å; L1805-F1864 PolarHBondContact O-N 3.02Å; L1805-F1866 HydrophobicContact CB-CD1 4.46Å; L1805-F1866 HydrophobicContact CB-CE1 3.77Å; L1805-L1897 HydrophobicContact CD2-CD1 4.08Å; L1805-L1897 HydrophobicContact CD2-CD2 4.32Å; L1805-L1920 HydrophobicContact CD2-CD1 4.03Å; L1805-L1920 HydrophobicContact CD2-CD2 4.26Å; L1805-L1950 HydrophobicContact CD1-CD2 3.63Å; L1805-M1980 HydrophobicContact CD1-CB 4.28Å; L1805-M1980 HydrophobicContact CD1-CG 4.39Å; L1805-L1982 HydrophobicContact CB-CD1 4.09Å; L1805-L1982 HydrophobicContact CD1-CD1 4.39Å |
| 1806 | R | 93.2 | Very high | 88.2 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.038 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.4 | 173.1 | -61.7 | 172 | -177.2 | -169.5 | -6.4 | 107.8 | I1804 F1862 M1980 E1981 A1988 R1991 | I1804-R1806 HydrophobicContact CG2-CG 4.32Å; R1806-F1862 WeakPolarHBondContact CA-O 3.48Å; R1806-M1980 CarbonylContact O-C 3.56Å; R1806-M1980 WeakPolarHBondContact O-CA 3.39Å; R1806-E1981 HydrophobicContact CB-CB 4.4Å; R1806-E1981 PolarHBondContact N-O 2.79Å; R1806-E1981 PolarHBondContact O-N 2.81Å; R1806-A1988 VanDerWaalsContact NH2-CA 3.25Å; R1806-A1988 PolarHBondContact NH2-O 2.85Å; R1806-R1991 PolarHBondContact NH1-O 3.08Å; R1806-R1991 PolarHBondContact NH2-O 2.92Å |
| 1807 | L | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 111.8 | -179.1 | 172.1 | 67 | 0 | 0 | 0 | 108.9 | V1809 R1861 F1862 F1864 L1897 L1899 M1978 E1979 M1980 | L1807-V1809 HydrophobicContact CG-CG2 4.4Å; L1807-R1861 CarbonylContact O-C 3.58Å; L1807-R1861 WeakPolarHBondContact O-CA 3.36Å; L1807-F1862 HydrophobicContact CB-CB 4.27Å; L1807-F1862 HydrophobicContact CD2-CD2 3.96Å; L1807-F1862 HydrophobicContact CG-CD2 4.46Å; L1807-F1862 PolarHBondContact N-O 2.79Å; L1807-F1862 PolarHBondContact O-N 3.02Å; L1807-F1864 HydrophobicContact CD2-CE2 4.46Å; L1807-L1897 HydrophobicContact CD2-CD1 4.32Å; L1807-L1897 HydrophobicContact CD2-CD2 4.11Å; L1807-L1899 HydrophobicContact CD2-CD1 4.03Å; L1807-L1899 HydrophobicContact CD2-CD2 3.6Å; L1807-L1899 HydrophobicContact CD2-CG 4.35Å; L1807-M1978 HydrophobicContact CD1-CB 3.79Å; L1807-M1978 HydrophobicContact CD1-CG 3.87Å; L1807-M1978 HydrophobicContact CD1-SD 3.56Å; L1807-M1978 VanDerWaalsContact CD1-SD 3.56Å; L1807-M1978 HydrophobicContact CD2-SD 4.44Å; L1807-E1979 CarbonylContact C-O 3.51Å; L1807-E1979 WeakPolarHBondContact CA-O 3.39Å; L1807-M1980 HydrophobicContact CD1-CG 3.37Å; L1807-M1980 HydrophobicContact CD1-SD 4.34Å |
| 1808 | V | 93.7 | Very high | 87.2 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113.1 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | W1810 W1860 R1861 M1978 E1979 P2004 L2006 | V1808-W1810 HydrophobicContact CG1-CD2 3.88Å; V1808-W1810 HydrophobicContact CG1-CE3 4.42Å; V1808-W1810 HydrophobicContact CG1-CG 4.26Å; V1808-W1810 HydrophobicContact CG1-CH2 4.37Å; V1808-W1810 HydrophobicContact CG1-CZ2 3.82Å; V1808-W1810 PolarHBondContact O-N 2.94Å; V1808-W1860 CarbonylContact C-O 3.58Å; V1808-W1860 WeakPolarHBondContact CA-O 3.39Å; V1808-R1861 HydrophobicContact CG2-CG 4.1Å; V1808-M1978 CarbonylContact O-C 3.42Å; V1808-M1978 WeakPolarHBondContact O-CA 3.45Å; V1808-M1978 WeakPolarHBondContact O-CB 3.43Å; V1808-E1979 HydrophobicContact CB-CB 4.36Å; V1808-E1979 PolarHBondContact N-O 2.98Å; V1808-E1979 PolarHBondContact O-N 2.83Å; V1808-P2004 HydrophobicContact CG2-CG 4.36Å; V1808-L2006 HydrophobicContact CG1-CD1 4.23Å; V1808-L2006 HydrophobicContact CG1-CD2 3.72Å |
| 1809 | V | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 106 | 169.3 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | L1807 V1832 T1845 F1858 N1859 W1860 F1862 I1976 | L1807-V1809 HydrophobicContact CG-CG2 4.4Å; V1809-V1832 HydrophobicContact CG1-CG2 4.39Å; V1809-T1845 HydrophobicContact CB-CG2 4.26Å; V1809-T1845 HydrophobicContact CG1-CG2 4.34Å; V1809-T1845 HydrophobicContact CG2-CG2 4.47Å; V1809-F1858 HydrophobicContact CG1-CD2 3.85Å; V1809-F1858 HydrophobicContact CG1-CG 4.48Å; V1809-N1859 PolarHBondContact O-N 3.39Å; V1809-W1860 PolarHBondContact N-O 3.06Å; V1809-W1860 PolarHBondContact O-N 3.03Å; V1809-F1862 HydrophobicContact CG2-CD2 4.33Å; V1809-F1862 HydrophobicContact CG2-CE2 3.98Å; V1809-F1862 HydrophobicContact CG2-CZ 4.48Å; V1809-I1976 HydrophobicContact CG1-CD1 3.93Å; V1809-I1976 HydrophobicContact CG1-CG1 4.21Å; V1809-I1976 HydrophobicContact CG2-CD1 4.18Å |
| 1810 | W | 92.3 | Very high | 86.2 | Confident | 65 Ų | 65 | 38 Ų | 38 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -61 | 178.7 | -69.6 | 105 | 0 | 0 | 0 | 109.7 | V1808 F1858 N1859 E1977 L2006 | V1808-W1810 HydrophobicContact CG1-CD2 3.88Å; V1808-W1810 HydrophobicContact CG1-CE3 4.42Å; V1808-W1810 HydrophobicContact CG1-CG 4.26Å; V1808-W1810 HydrophobicContact CG1-CH2 4.37Å; V1808-W1810 HydrophobicContact CG1-CZ2 3.82Å; V1808-W1810 PolarHBondContact O-N 2.94Å; W1810-F1858 PolarHBondContact O-N 3.44Å; W1810-N1859 HydrophobicContact CE3-CB 4.45Å; W1810-N1859 VanDerWaalsContact CE3-OD1 3.28Å; W1810-N1859 HydrophobicContact CZ3-CB 4.45Å; W1810-N1859 PolarHBondContact O-N 2.94Å; W1810-E1977 HydrophobicContact CB-CB 4.44Å; W1810-E1977 HydrophobicContact CB-CG 4.14Å; W1810-E1977 PolarHBondContact N-O 2.89Å; W1810-L2006 HydrophobicContact CH2-CD2 3.5Å; W1810-L2006 VanDerWaalsContact CH2-CD2 3.5Å; W1810-L2006 HydrophobicContact CZ2-CD2 4.08Å; W1810-L2006 HydrophobicContact CZ3-CD2 3.86Å |
| 1811 | N | 92.4 | Very high | 85.4 | Confident | 28 Ų | 28 | 37.3 Ų | 37.3 | 15% | 0.15 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 164.6 | -174.1 | -60.1 | -66.2 | 0 | 0 | 0 | 112 | F1813 G1856 N1857 E1977 | N1811-F1813 HydrophobicContact CB-CD2 4.18Å; N1811-F1813 HydrophobicContact CB-CE2 3.43Å; N1811-F1813 VanDerWaalsContact CB-CE2 3.43Å; N1811-F1813 HydrophobicContact CB-CZ 3.71Å; N1811-G1856 CarbonylContact C-O 3.53Å; N1811-G1856 WeakPolarHBondContact CA-O 3.39Å; N1811-N1857 VanDerWaalsContact OD1-CA 3.3Å; N1811-N1857 WeakPolarHBondContact OD1-CA 3.34Å; N1811-N1857 WeakPolarHBondContact OD1-CB 3.47Å; N1811-N1857 PolarHBondContact OD1-ND2 3.11Å; N1811-N1857 VanDerWaalsContact OD1-ND2 3.08Å; N1811-E1977 HydrophobicContact CB-CB 4.24Å; N1811-E1977 PolarHBondContact N-O 2.83Å; N1811-E1977 PolarHBondContact ND2-OE2 2.66Å; N1811-E1977 PolarHBondContact O-N 3.28Å |
| 1812 | T | 92.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150.6 | 162.2 | 50.9 | 0 | 0 | 0 | 0 | 109 | V1832 E1855 G1856 F1858 F1962 K1975 I1976 | T1812-V1832 HydrophobicContact CG2-CG2 3.66Å; T1812-E1855 CarbonylContact O-C 3.6Å; T1812-E1855 VanDerWaalsContact O-CA 3.25Å; T1812-E1855 WeakPolarHBondContact O-CA 3.47Å; T1812-G1856 PolarHBondContact N-O 2.89Å; T1812-G1856 PolarHBondContact O-N 2.93Å; T1812-G1856 WeakPolarHBondContact OG1-CA 3.33Å; T1812-G1856 PolarHBondContact OG1-N 3.29Å; T1812-G1856 VanDerWaalsContact OG1-N 3.11Å; T1812-G1856 PolarHBondContact OG1-O 2.61Å; T1812-F1858 HydrophobicContact CG2-CE2 3.88Å; T1812-F1962 HydrophobicContact CG2-CE2 4.26Å; T1812-K1975 CarbonylContact C-O 3.09Å; T1812-K1975 WeakPolarHBondContact CA-O 3.43Å; T1812-I1976 HydrophobicContact CG2-CB 4.46Å; T1812-I1976 HydrophobicContact CG2-CG1 4.27Å |
| 1813 | F | 91 | Very high | 83.2 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.5 | -175.4 | -65.5 | -79.4 | 0 | 0 | 0 | 110.5 | N1811 V1815 G1854 E1855 R1930 F1959 G1974 K1975 E1977 | N1811-F1813 HydrophobicContact CB-CD2 4.18Å; N1811-F1813 HydrophobicContact CB-CE2 3.43Å; N1811-F1813 VanDerWaalsContact CB-CE2 3.43Å; N1811-F1813 HydrophobicContact CB-CZ 3.71Å; F1813-V1815 PolarHBondContact O-N 3.03Å; F1813-V1815 VanDerWaalsContact O-N 3.15Å; F1813-G1854 CarbonylContact C-O 3.54Å; F1813-G1854 WeakPolarHBondContact CA-O 3.47Å; F1813-E1855 HydrophobicContact CD1-CB 4.44Å; F1813-E1855 HydrophobicContact CD1-CG 3.74Å; F1813-E1855 WeakPolarHBondContact CD1-OE1 3.32Å; F1813-E1855 HydrophobicContact CE1-CG 4.27Å; F1813-R1930 HydrophobicContact CB-CG 4.38Å; F1813-F1959 HydrophobicContact CD2-CD1 4.3Å; F1813-F1959 AromaticContact CD2-CE1 3.73Å; F1813-F1959 HydrophobicContact CD2-CE1 3.73Å; F1813-F1959 AromaticContact CE2-CE1 3.63Å; F1813-F1959 HydrophobicContact CE2-CE1 3.63Å; F1813-F1959 HydrophobicContact CE2-CZ 4.4Å; F1813-G1974 CarbonylContact O-C 3.41Å; F1813-K1975 HydrophobicContact CB-CB 4.42Å; F1813-K1975 PolarHBondContact N-O 2.91Å; F1813-K1975 PolarHBondContact O-N 2.97Å; F1813-E1977 HydrophobicContact CE2-CB 4.1Å |
| 1814 | D | 88.7 | Confident | 82 | Confident | 64 Ų | 64 | 41.1 Ų | 41.1 | 34% | 0.342 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 56.1 | 27 | 177.4 | -56.3 | -45.5 | 0 | 0 | 0 | 112.8 | G1854 R1930 G1974 K1975 | D1814-G1854 PolarHBondContact N-O 2.71Å; D1814-R1930 IonicContact OD1-CZ 2.77Å; D1814-R1930 IonicContact OD1-NE 2.81Å; D1814-R1930 IonicContact OD1-NH2 3.28Å; D1814-R1930 PolarHBondContact OD1-NH2 2.8Å; D1814-R1930 IonicContact OD2-CZ 2.79Å; D1814-R1930 IonicContact OD2-NE 2.83Å; D1814-R1930 PolarHBondContact OD2-NE 3.43Å; D1814-R1930 VanDerWaalsContact OD2-NE 3.07Å; D1814-R1930 IonicContact OD2-NH2 3.76Å; D1814-G1974 WeakPolarHBondContact O-CA 3.17Å; D1814-K1975 HydrophobicContact CB-CD 4.45Å; D1814-K1975 WeakPolarHBondContact OD2-CD 3.34Å; D1814-K1975 VanDerWaalsContact OD2-CE 3.31Å; D1814-K1975 WeakPolarHBondContact OD2-CE 3.39Å; D1814-K1975 IonicContact OD2-NZ 2.65Å; D1814-K1975 PolarHBondContact OD2-NZ 3.25Å |
| 1815 | V | 88.1 | Confident | 81 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | trans | -70 | 133.3 | 177.6 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | F1813 I1830 G1854 V1901 I1913 T1973 | F1813-V1815 PolarHBondContact O-N 3.03Å; F1813-V1815 VanDerWaalsContact O-N 3.15Å; V1815-I1830 HydrophobicContact CB-CD1 3.73Å; V1815-I1830 HydrophobicContact CG1-CD1 3.88Å; V1815-I1830 HydrophobicContact CG1-CG1 4.14Å; V1815-I1830 HydrophobicContact CG1-CG2 4.36Å; V1815-I1830 HydrophobicContact CG2-CD1 4.09Å; V1815-I1830 HydrophobicContact CG2-CG2 4.44Å; V1815-G1854 WeakPolarHBondContact CB-O 3.09Å; V1815-G1854 WeakPolarHBondContact CG2-O 3.42Å; V1815-G1854 PolarHBondContact N-O 3.29Å; V1815-G1854 VanDerWaalsContact O-CA 3.28Å; V1815-G1854 WeakPolarHBondContact O-CA 3.43Å; V1815-V1901 HydrophobicContact CG1-CG2 3.93Å; V1815-V1901 HydrophobicContact CG2-CG2 4.35Å; V1815-I1913 HydrophobicContact CG1-CD1 3.8Å; V1815-I1913 HydrophobicContact CG1-CG2 3.89Å; V1815-T1973 VanDerWaalsContact CA-O 3.32Å; V1815-T1973 WeakPolarHBondContact CA-O 3.27Å | ||
| 1816 | V | 83.9 | Confident | 80.1 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 35% | 0.352 | 26% | 0.258 | S | S | . | . | trans | -60.8 | 138.3 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | D1818 S1828 I1913 T1973 | V1816-D1818 WeakPolarHBondContact CG1-OD1 3.42Å; V1816-S1828 PolarHBondContact O-OG 3.47Å; V1816-I1913 HydrophobicContact CB-CG2 4.21Å; V1816-T1973 HydrophobicContact CG2-CG2 4.31Å; V1816-T1973 PolarHBondContact N-O 3.09Å | ||
| 1817 | L | 79.6 | Confident | 79.4 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | trans | -100.5 | 101.1 | -178.2 | -59 | 178.3 | 0 | 0 | 0 | 109.1 | Q1826 S1828 S1851 L1852 | L1817-Q1826 HydrophobicContact CB-CB 4.02Å; L1817-Q1826 HydrophobicContact CD1-CB 4.25Å; L1817-S1828 WeakPolarHBondContact CA-OG 3.27Å; L1817-S1851 VanDerWaalsContact CD2-O 3.3Å; L1817-S1851 WeakPolarHBondContact CD2-O 3.43Å; L1817-L1852 WeakPolarHBondContact CD1-O 2.9Å | ||
| 1818 | D | 68.7 | Low | 78.9 | Confident | 84 Ų | 84 | 49.4 Ų | 49.4 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | trans | -93.2 | -25.4 | -171.8 | -76.4 | -30.3 | 0 | 0 | 0 | 113.5 | V1816 S1828 | V1816-D1818 WeakPolarHBondContact CG1-OD1 3.42Å; D1818-S1828 PolarHBondContact N-OG 3.11Å; D1818-S1828 VanDerWaalsContact N-OG 3.11Å | ||
| 1819 | E | 69 | Low | 78.6 | Confident | 56 Ų | 56 | 50 Ų | 50 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 156.2 | 174.9 | -75.7 | -160.7 | 132 | 0 | 0 | 113.8 | Q1826 M1827 | E1819-Q1826 CarbonylContact O-C 3.58Å; E1819-Q1826 WeakPolarHBondContact O-CA 3.19Å; E1819-M1827 CarbonylContact C-O 3.54Å; E1819-M1827 WeakPolarHBondContact CA-O 3.45Å; E1819-M1827 HydrophobicContact CB-CG 4.5Å; E1819-M1827 VanDerWaalsContact CB-O 3.26Å; E1819-M1827 WeakPolarHBondContact CB-O 3.42Å; E1819-M1827 PolarHBondContact N-O 2.65Å; E1819-M1827 VanDerWaalsContact N-O 3.09Å; E1819-M1827 PolarHBondContact O-N 3.41Å; E1819-M1827 VanDerWaalsContact O-O 3.09Å |
| 1820 | K | 68.2 | Low | 78.4 | Confident | 152 Ų | 152 | 50 Ų | 50 | 66% | 0.661 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.4 | 162.2 | -77.6 | 177.2 | -177.7 | 168.3 | 0 | 109.4 | E1825 Q1826 | K1820-E1825 WeakPolarHBondContact CA-O 3.32Å; K1820-Q1826 HydrophobicContact CG-CG 4.04Å |
| 1821 | S | 63.9 | Low | 78.4 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | trans | -55.7 | 161.3 | 172.5 | 75.9 | 0 | 0 | 0 | 0 | 112.1 | T1823 G1824 E1825 M1827 | S1821-T1823 PolarHBondContact O-N 3.03Å; S1821-T1823 PolarHBondContact OG-N 3.38Å; S1821-T1823 VanDerWaalsContact OG-N 3.14Å; S1821-T1823 PolarHBondContact OG-OG1 2.99Å; S1821-G1824 PolarHBondContact O-N 2.97Å; S1821-E1825 PolarHBondContact N-O 3.38Å; S1821-E1825 PolarHBondContact OG-N 3.47Å; S1821-E1825 PolarHBondContact OG-O 3.3Å; S1821-M1827 VanDerWaalsContact CB-SD 3.54Å | ||
| 1822 | I | 63.1 | Low | 78.5 | Confident | 142 Ų | 142 | 45.8 Ų | 45.8 | 73% | 0.728 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -21.8 | 169.2 | -57.6 | 166.3 | 0 | 0 | 0 | 112.5 | ||
| 1823 | T | 58.7 | Low | 78.5 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 6.4 | 179.3 | 79.4 | 0 | 0 | 0 | 0 | 115 | S1821 E1825 I2029 K2033 | S1821-T1823 PolarHBondContact O-N 3.03Å; S1821-T1823 PolarHBondContact OG-N 3.38Å; S1821-T1823 VanDerWaalsContact OG-N 3.14Å; S1821-T1823 PolarHBondContact OG-OG1 2.99Å; T1823-E1825 VanDerWaalsContact C-N 3.31Å; T1823-E1825 PolarHBondContact O-N 3.45Å; T1823-I2029 HydrophobicContact CG2-CG2 4.19Å; T1823-K2033 HydrophobicContact CG2-CD 3.94Å; T1823-K2033 PolarHBondContact O-NZ 2.83Å; T1823-K2033 VanDerWaalsContact O-NZ 3.14Å; T1823-K2033 PolarHBondContact OG1-NZ 3.41Å |
| 1824 | G | 63.6 | Low | 78.7 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 55% | 0.546 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 82.1 | -5.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1821 | S1821-G1824 PolarHBondContact O-N 2.97Š|
| 1825 | E | 69.1 | Low | 78.9 | Confident | 84 Ų | 84 | 44.7 Ų | 44.7 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | trans | -73.3 | 131.2 | 175.6 | -74.4 | 165.7 | -155.8 | 0 | 0 | 110.4 | K1820 S1821 T1823 K2033 | K1820-E1825 WeakPolarHBondContact CA-O 3.32Å; S1821-E1825 PolarHBondContact N-O 3.38Å; S1821-E1825 PolarHBondContact OG-N 3.47Å; S1821-E1825 PolarHBondContact OG-O 3.3Å; T1823-E1825 VanDerWaalsContact C-N 3.31Å; T1823-E1825 PolarHBondContact O-N 3.45Å; E1825-K2033 WeakPolarHBondContact OE1-CE 2.98Å; E1825-K2033 IonicContact OE1-NZ 3.43Å; E1825-K2033 PolarHBondContact OE1-NZ 3.03Å | ||
| 1826 | Q | 75.1 | Confident | 79 | Confident | 114 Ų | 114 | 44.5 Ų | 44.5 | 53% | 0.533 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 133.2 | 170 | -73.1 | 179.9 | -53.7 | 0 | 0 | 109.7 | L1817 E1819 K1820 | L1817-Q1826 HydrophobicContact CB-CB 4.02Å; L1817-Q1826 HydrophobicContact CD1-CB 4.25Å; E1819-Q1826 CarbonylContact O-C 3.58Å; E1819-Q1826 WeakPolarHBondContact O-CA 3.19Å; K1820-Q1826 HydrophobicContact CG-CG 4.04Å |
| 1827 | M | 78.7 | Confident | 78.8 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 165.8 | 178.5 | 63.4 | 178.5 | 44.2 | 0 | 0 | 109.8 | E1819 S1821 R1850 S1851 L1852 | E1819-M1827 CarbonylContact C-O 3.54Å; E1819-M1827 WeakPolarHBondContact CA-O 3.45Å; E1819-M1827 HydrophobicContact CB-CG 4.5Å; E1819-M1827 VanDerWaalsContact CB-O 3.26Å; E1819-M1827 WeakPolarHBondContact CB-O 3.42Å; E1819-M1827 PolarHBondContact N-O 2.65Å; E1819-M1827 VanDerWaalsContact N-O 3.09Å; E1819-M1827 PolarHBondContact O-N 3.41Å; E1819-M1827 VanDerWaalsContact O-O 3.09Å; S1821-M1827 VanDerWaalsContact CB-SD 3.54Å; M1827-R1850 HydrophobicContact CE-CB 4.1Å; M1827-R1850 HydrophobicContact CE-CG 4.43Å; M1827-R1850 HydrophobicContact SD-CB 4.1Å; M1827-R1850 HydrophobicContact SD-CG 4.01Å; M1827-S1851 VanDerWaalsContact CA-O 3.28Å; M1827-S1851 WeakPolarHBondContact CA-O 3.22Å; M1827-L1852 HydrophobicContact CB-CD2 3.94Å; M1827-L1852 HydrophobicContact CE-CD2 3.58Å |
| 1828 | S | 83.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144.7 | 165.9 | -74.6 | 0 | 0 | 0 | 0 | 109.9 | V1816 L1817 D1818 I1830 S1851 D1903 | V1816-S1828 PolarHBondContact O-OG 3.47Å; L1817-S1828 WeakPolarHBondContact CA-OG 3.27Å; D1818-S1828 PolarHBondContact N-OG 3.11Å; D1818-S1828 VanDerWaalsContact N-OG 3.11Å; S1828-I1830 VanDerWaalsContact C-N 3.35Å; S1828-I1830 PolarHBondContact O-N 2.78Å; S1828-S1851 PolarHBondContact N-O 2.84Å; S1828-S1851 VanDerWaalsContact N-O 3.15Å; S1828-S1851 VanDerWaalsContact O-CB 3.31Å; S1828-S1851 WeakPolarHBondContact O-CB 3.41Å; S1828-S1851 PolarHBondContact O-N 2.78Å; S1828-D1903 WeakPolarHBondContact CA-OD1 3.38Å; S1828-D1903 WeakPolarHBondContact CA-OD2 3.41Å; S1828-D1903 WeakPolarHBondContact CB-OD2 3.3Å; S1828-D1903 PolarHBondContact OG-OD2 3.32Å |
| 1829 | D | 86.2 | Confident | 79.2 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 72.2 | 172.3 | -72.8 | -16.7 | 0 | 0 | 0 | 109 | V1847 Y1849 R1850 D1903 N1904 | D1829-V1847 HydrophobicContact CB-CG1 3.91Å; D1829-V1847 WeakPolarHBondContact O-CG1 3.27Å; D1829-Y1849 HydrophobicContact CB-CD1 4.08Å; D1829-Y1849 VanDerWaalsContact OD1-CA 3.25Å; D1829-Y1849 WeakPolarHBondContact OD1-CA 3.24Å; D1829-Y1849 WeakPolarHBondContact OD2-CD1 3.24Å; D1829-R1850 PolarHBondContact OD1-N 3.32Å; D1829-D1903 WeakPolarHBondContact CA-OD1 3.41Å; D1829-D1903 PolarHBondContact N-OD1 3.03Å; D1829-N1904 HydrophobicContact CB-CB 3.93Å; D1829-N1904 WeakPolarHBondContact CB-O 3.31Å; D1829-N1904 WeakPolarHBondContact O-CB 3.22Å; D1829-N1904 PolarHBondContact O-N 3.05Å |
| 1830 | I | 89.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 133.7 | -165.9 | -54.1 | 169 | 0 | 0 | 0 | 111.4 | V1815 S1828 H1848 S1851 F1858 V1901 W1902 | V1815-I1830 HydrophobicContact CB-CD1 3.73Å; V1815-I1830 HydrophobicContact CG1-CD1 3.88Å; V1815-I1830 HydrophobicContact CG1-CG1 4.14Å; V1815-I1830 HydrophobicContact CG1-CG2 4.36Å; V1815-I1830 HydrophobicContact CG2-CD1 4.09Å; V1815-I1830 HydrophobicContact CG2-CG2 4.44Å; S1828-I1830 VanDerWaalsContact C-N 3.35Å; S1828-I1830 PolarHBondContact O-N 2.78Å; I1830-H1848 PolarHBondContact N-O 3Å; I1830-H1848 PolarHBondContact O-N 2.84Å; I1830-S1851 VanDerWaalsContact CD1-CB 3.48Å; I1830-F1858 HydrophobicContact CG2-CZ 4.11Å; I1830-F1858 WeakPolarHBondContact O-CE1 3.39Å; I1830-F1858 WeakPolarHBondContact O-CZ 3.19Å; I1830-V1901 HydrophobicContact CG2-CG2 3.61Å; I1830-W1902 WeakPolarHBondContact CA-O 3.24Å |
| 1831 | Y | 92.7 | Very high | 79.9 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 160.8 | 162.7 | 75.3 | -79.5 | 0 | 0 | 0 | 111.7 | K1833 K1844 V1847 W1902 N1904 D1910 | Y1831-K1833 HydrophobicContact CD2-CG 4.26Å; Y1831-K1833 HydrophobicContact CE2-CD 4.13Å; Y1831-K1833 HydrophobicContact CE2-CG 3.63Å; Y1831-K1833 WeakPolarHBondContact OH-CE 3.24Å; Y1831-K1833 PolarHBondContact OH-NZ 3.48Å; Y1831-K1844 HydrophobicContact CD2-CB 4.19Å; Y1831-K1844 HydrophobicContact CE2-CB 4.27Å; Y1831-K1844 HydrophobicContact CE2-CD 4.16Å; Y1831-V1847 HydrophobicContact CD1-CG2 4.36Å; Y1831-V1847 HydrophobicContact CG-CG2 4.33Å; Y1831-W1902 HydrophobicContact CD1-CB 3.94Å; Y1831-W1902 HydrophobicContact CE1-CB 3.39Å; Y1831-W1902 HydrophobicContact CE1-CG 4.38Å; Y1831-W1902 HydrophobicContact CE2-CB 4.25Å; Y1831-W1902 PolarHBondContact N-O 3.12Å; Y1831-W1902 PolarHBondContact O-N 3.34Å; Y1831-N1904 HydrophobicContact CD1-CB 3.82Å; Y1831-N1904 HydrophobicContact CE1-CB 3.85Å; Y1831-D1910 HydrophobicContact CE1-CB 4.37Å; Y1831-D1910 PolarHBondContact OH-OD2 2.85Å |
| 1832 | V | 93.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.2 | -178.7 | 179 | 0 | 0 | 0 | 0 | 109.8 | V1809 T1812 K1844 T1845 F1858 L1899 Q1900 F1962 I1976 | V1809-V1832 HydrophobicContact CG1-CG2 4.39Å; T1812-V1832 HydrophobicContact CG2-CG2 3.66Å; V1832-K1844 CarbonylContact O-C 3.58Å; V1832-K1844 VanDerWaalsContact O-CA 3.26Å; V1832-K1844 WeakPolarHBondContact O-CA 3.39Å; V1832-T1845 HydrophobicContact CB-CG2 4.05Å; V1832-T1845 PolarHBondContact N-OG1 2.78Å; V1832-T1845 PolarHBondContact O-N 3.42Å; V1832-F1858 HydrophobicContact CG2-CE2 4.12Å; V1832-F1858 HydrophobicContact CG2-CZ 4.45Å; V1832-L1899 HydrophobicContact CG1-CD2 4.32Å; V1832-Q1900 CarbonylContact C-O 3.51Å; V1832-Q1900 VanDerWaalsContact CA-O 3.31Å; V1832-Q1900 WeakPolarHBondContact CA-O 3.37Å; V1832-F1962 HydrophobicContact CG1-CZ 4.32Å; V1832-I1976 HydrophobicContact CG1-CD1 3.99Å; V1832-I1976 HydrophobicContact CG2-CD1 4.35Å |
| 1833 | K | 94.1 | Very high | 82.5 | Confident | 45 Ų | 45 | 41.4 Ų | 41.4 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.6 | 167 | -65.2 | -177.5 | -173 | 149.6 | 0 | 109.5 | Y1831 W1835 Q1843 K1844 L1899 Q1900 W1902 | Y1831-K1833 HydrophobicContact CD2-CG 4.26Å; Y1831-K1833 HydrophobicContact CE2-CD 4.13Å; Y1831-K1833 HydrophobicContact CE2-CG 3.63Å; Y1831-K1833 WeakPolarHBondContact OH-CE 3.24Å; Y1831-K1833 PolarHBondContact OH-NZ 3.48Å; K1833-W1835 HydrophobicContact CB-CZ3 4.28Å; K1833-Q1843 CarbonylContact C-O 3.57Å; K1833-Q1843 WeakPolarHBondContact CA-O 3.34Å; K1833-K1844 HydrophobicContact CG-CB 4.05Å; K1833-L1899 CarbonylContact O-C 3.55Å; K1833-L1899 WeakPolarHBondContact O-CA 3.42Å; K1833-Q1900 PolarHBondContact N-O 2.95Å; K1833-Q1900 PolarHBondContact O-N 2.85Å; K1833-W1902 HydrophobicContact CD-CG 4.48Å |
| 1834 | G | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 142.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1843 F1864 V1898 | G1834-Q1843 PolarHBondContact N-O 3.33Å; G1834-Q1843 PolarHBondContact O-N 3.11Å; G1834-F1864 WeakPolarHBondContact O-CE1 3.45Å; G1834-F1864 VanDerWaalsContact O-CZ 3.3Å; G1834-F1864 WeakPolarHBondContact O-CZ 3.47Å; G1834-V1898 VanDerWaalsContact CA-O 3.3Å; G1834-V1898 WeakPolarHBondContact CA-O 3.39Å |
| 1835 | W | 93.8 | Very high | 85.5 | Confident | 27 Ų | 27 | 43.2 Ų | 43.2 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 164.4 | 171.9 | 65.9 | 100.4 | 0 | 0 | 0 | 111 | K1833 R1842 V1898 Q1900 | K1833-W1835 HydrophobicContact CB-CZ3 4.28Å; W1835-R1842 HydrophobicContact CB-CB 4.46Å; W1835-R1842 HydrophobicContact CB-CG 3.93Å; W1835-R1842 HydrophobicContact CD2-CG 4.02Å; W1835-R1842 HydrophobicContact CE3-CG 4.15Å; W1835-R1842 HydrophobicContact CG-CG 3.93Å; W1835-V1898 HydrophobicContact CD2-CB 4.12Å; W1835-V1898 HydrophobicContact CD2-CG1 4.45Å; W1835-V1898 HydrophobicContact CH2-CB 4.39Å; W1835-V1898 HydrophobicContact CH2-CG1 3.68Å; W1835-V1898 HydrophobicContact CZ2-CB 3.87Å; W1835-V1898 HydrophobicContact CZ2-CG1 3.45Å; W1835-V1898 VanDerWaalsContact CZ2-CG1 3.45Å; W1835-V1898 HydrophobicContact CZ3-CG1 4.25Å; W1835-V1898 PolarHBondContact N-O 3.46Å; W1835-V1898 PolarHBondContact O-N 2.89Å; W1835-Q1900 VanDerWaalsContact CH2-CD 3.41Å; W1835-Q1900 HydrophobicContact CH2-CG 3.95Å; W1835-Q1900 HydrophobicContact CZ3-CG 4.11Å |
| 1836 | L | 90.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.5 | 167.9 | -71 | 172.2 | 0 | 0 | 0 | 109.1 | L1805 G1838 L1839 F1864 F1866 I1875 Q1896 L1897 L1920 | L1805-L1836 HydrophobicContact CD2-CD2 3.95Å; L1836-G1838 PolarHBondContact O-N 2.86Å; L1836-L1839 HydrophobicContact CB-CB 4.49Å; L1836-L1839 HydrophobicContact CB-CD1 3.88Å; L1836-L1839 HydrophobicContact CD1-CD1 4.01Å; L1836-L1839 PolarHBondContact O-N 3.06Å; L1836-F1864 HydrophobicContact CD1-CB 3.7Å; L1836-F1864 HydrophobicContact CD1-CG 4.43Å; L1836-F1864 HydrophobicContact CG-CB 4.21Å; L1836-F1864 HydrophobicContact CG-CG 4.41Å; L1836-F1866 HydrophobicContact CD1-CB 4.09Å; L1836-F1866 HydrophobicContact CD1-CD1 3.52Å; L1836-F1866 HydrophobicContact CD1-CD2 4.49Å; L1836-F1866 HydrophobicContact CD1-CE1 3.99Å; L1836-F1866 HydrophobicContact CD1-CG 3.81Å; L1836-I1875 HydrophobicContact CB-CD1 4.33Å; L1836-I1875 HydrophobicContact CD1-CD1 4.14Å; L1836-I1875 HydrophobicContact CD2-CD1 4.39Å; L1836-Q1896 CarbonylContact C-O 3.55Å; L1836-Q1896 WeakPolarHBondContact CA-O 3.35Å; L1836-L1897 HydrophobicContact CD2-CB 3.99Å; L1836-L1897 HydrophobicContact CD2-CD1 4.14Å; L1836-L1920 HydrophobicContact CD2-CD1 3.78Å |
| 1837 | A | 80.2 | Confident | 87 | Confident | 16 Ų | 16 | 36.5 Ų | 36.5 | 13% | 0.132 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 128 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1893 Q1896 | A1837-V1893 HydrophobicContact CB-CG1 4.32Å; A1837-Q1896 HydrophobicContact CB-CB 3.89Å; A1837-Q1896 WeakPolarHBondContact CB-O 3.48Å; A1837-Q1896 PolarHBondContact N-O 3.34Å |
| 1838 | G | 74.8 | Confident | 87.4 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 33% | 0.33 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -12.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1836 I1877 | L1836-G1838 PolarHBondContact O-N 2.86Å; G1838-I1877 VanDerWaalsContact C-CD1 3.48Å; G1838-I1877 WeakPolarHBondContact O-CD1 3.41Å |
| 1839 | L | 80.4 | Confident | 87.4 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | trans | -97.4 | 137 | 172.7 | -70.2 | 169.4 | 0 | 0 | 0 | 111.5 | L1836 D1841 F1866 I1877 | L1836-L1839 HydrophobicContact CB-CB 4.49Å; L1836-L1839 HydrophobicContact CB-CD1 3.88Å; L1836-L1839 HydrophobicContact CD1-CD1 4.01Å; L1836-L1839 PolarHBondContact O-N 3.06Å; L1839-D1841 VanDerWaalsContact C-N 3.29Å; L1839-D1841 PolarHBondContact O-N 3.36Å; L1839-F1866 HydrophobicContact CD1-CB 3.65Å; L1839-I1877 HydrophobicContact CD2-CG1 4.11Å; L1839-I1877 HydrophobicContact CD2-CG2 4.25Å; L1839-I1877 HydrophobicContact CG-CG1 4.35Å | ||
| 1840 | D | 71.4 | Confident | 87 | Confident | 141 Ų | 141 | 40 Ų | 40 | 75% | 0.754 | 19% | 0.194 | S | C | * | . | trans | -79.2 | -6.4 | -179.5 | -70.5 | -30.4 | 0 | 0 | 0 | 114 | R1842 | D1840-R1842 VanDerWaalsContact C-N 3.26Å; D1840-R1842 PolarHBondContact O-N 2.84Å | ||
| 1841 | D | 82.3 | Confident | 86.7 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 32% | 0.316 | 20% | 0.195 | S | C | . | . | trans | -76.2 | 72.4 | 180 | -170.6 | 15.9 | 0 | 0 | 0 | 111.6 | L1839 Q1843 F1864 K1995 | L1839-D1841 VanDerWaalsContact C-N 3.29Å; L1839-D1841 PolarHBondContact O-N 3.36Å; D1841-Q1843 PolarHBondContact O-N 2.8Å; D1841-Q1843 WeakPolarHBondContact OD1-CG 3.29Å; D1841-Q1843 PolarHBondContact OD1-NE2 2.96Å; D1841-Q1843 PolarHBondContact OD2-NE2 3.22Å; D1841-F1864 WeakPolarHBondContact O-CE1 3.44Å; D1841-K1995 IonicContact OD1-NZ 2.66Å; D1841-K1995 PolarHBondContact OD1-NZ 2.94Å; D1841-K1995 IonicContact OD2-NZ 3.5Å; D1841-K1995 PolarHBondContact OD2-NZ 3.42Å | ||
| 1842 | R | 87.8 | Confident | 86.2 | Confident | 171 Ų | 171 | 44.1 Ų | 44.1 | 65% | 0.645 | 22% | 0.216 | S | C | * | . | trans | -77.8 | 105.7 | 172.7 | -63.2 | -173.6 | -179.5 | -173.6 | 1 | 110.6 | W1835 D1840 | W1835-R1842 HydrophobicContact CB-CB 4.46Å; W1835-R1842 HydrophobicContact CB-CG 3.93Å; W1835-R1842 HydrophobicContact CD2-CG 4.02Å; W1835-R1842 HydrophobicContact CE3-CG 4.15Å; W1835-R1842 HydrophobicContact CG-CG 3.93Å; D1840-R1842 VanDerWaalsContact C-N 3.26Å; D1840-R1842 PolarHBondContact O-N 2.84Å | ||
| 1843 | Q | 93.4 | Very high | 85.6 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 147.9 | 178.9 | -62.4 | -179.2 | 33.9 | 0 | 0 | 110.2 | K1833 G1834 D1841 F1862 V1863 F1864 | K1833-Q1843 CarbonylContact C-O 3.57Å; K1833-Q1843 WeakPolarHBondContact CA-O 3.34Å; G1834-Q1843 PolarHBondContact N-O 3.33Å; G1834-Q1843 PolarHBondContact O-N 3.11Å; D1841-Q1843 PolarHBondContact O-N 2.8Å; D1841-Q1843 WeakPolarHBondContact OD1-CG 3.29Å; D1841-Q1843 PolarHBondContact OD1-NE2 2.96Å; D1841-Q1843 PolarHBondContact OD2-NE2 3.22Å; Q1843-F1862 HydrophobicContact CB-CB 4.43Å; Q1843-F1862 HydrophobicContact CB-CD1 3.59Å; Q1843-F1862 HydrophobicContact CB-CE1 3.9Å; Q1843-F1862 HydrophobicContact CB-CG 3.99Å; Q1843-F1862 VanDerWaalsContact OE1-CA 3.23Å; Q1843-V1863 PolarHBondContact NE2-O 3.12Å; Q1843-V1863 VanDerWaalsContact OE1-N 3.09Å; Q1843-F1864 HydrophobicContact CB-CE1 3.98Å; Q1843-F1864 HydrophobicContact CB-CZ 4.21Å; Q1843-F1864 HydrophobicContact CG-CD1 4.48Å; Q1843-F1864 HydrophobicContact CG-CE1 3.75Å; Q1843-F1864 HydrophobicContact CG-CZ 4.43Å |
| 1844 | K | 93 | Very high | 85.1 | Confident | 129 Ų | 129 | 46.3 Ų | 46.3 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.2 | 177.3 | 66.4 | 179.5 | 179.8 | 176.5 | 0 | 111.2 | Y1831 V1832 K1833 W1860 F1862 | Y1831-K1844 HydrophobicContact CD2-CB 4.19Å; Y1831-K1844 HydrophobicContact CE2-CB 4.27Å; Y1831-K1844 HydrophobicContact CE2-CD 4.16Å; V1832-K1844 CarbonylContact O-C 3.58Å; V1832-K1844 VanDerWaalsContact O-CA 3.26Å; V1832-K1844 WeakPolarHBondContact O-CA 3.39Å; K1833-K1844 HydrophobicContact CG-CB 4.05Å; K1844-W1860 PolarHBondContact O-NE1 3.02Å; K1844-F1862 VanDerWaalsContact C-CE1 3.47Å |
| 1845 | T | 92.6 | Very high | 84.8 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 171.3 | 172.6 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | V1809 V1832 F1858 W1860 F1862 | V1809-T1845 HydrophobicContact CB-CG2 4.26Å; V1809-T1845 HydrophobicContact CG1-CG2 4.34Å; V1809-T1845 HydrophobicContact CG2-CG2 4.47Å; V1832-T1845 HydrophobicContact CB-CG2 4.05Å; V1832-T1845 PolarHBondContact N-OG1 2.78Å; V1832-T1845 PolarHBondContact O-N 3.42Å; T1845-F1858 HydrophobicContact CG2-CB 4.34Å; T1845-F1858 HydrophobicContact CG2-CD1 4.26Å; T1845-F1858 HydrophobicContact CG2-CG 4.18Å; T1845-F1858 WeakPolarHBondContact OG1-CD1 3.46Å; T1845-F1858 WeakPolarHBondContact OG1-CE1 3.27Å; T1845-W1860 HydrophobicContact CG2-CB 3.84Å; T1845-W1860 HydrophobicContact CG2-CG 3.85Å; T1845-F1862 HydrophobicContact CG2-CE1 3.99Å; T1845-F1862 HydrophobicContact CG2-CZ 3.59Å |
| 1846 | D | 87.9 | Confident | 84.5 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 164.6 | 158.2 | 66.2 | -24.8 | 0 | 0 | 0 | 110.9 | F1858 W1860 R1997 R2011 | D1846-F1858 VanDerWaalsContact O-CD1 3.23Å; D1846-F1858 WeakPolarHBondContact O-CD1 3.11Å; D1846-F1858 WeakPolarHBondContact O-CE1 3.44Å; D1846-W1860 HydrophobicContact CB-CE3 4.11Å; D1846-W1860 HydrophobicContact CB-CH2 4.08Å; D1846-W1860 HydrophobicContact CB-CZ3 3.58Å; D1846-R1997 VanDerWaalsContact CG-NH2 3.29Å; D1846-R1997 IonicContact OD1-NH2 2.74Å; D1846-R1997 IonicContact OD2-NH2 3.67Å; D1846-R1997 PolarHBondContact OD2-NH2 2.75Å; D1846-R2011 IonicContact OD1-CZ 3.69Å; D1846-R2011 IonicContact OD1-NH1 2.77Å; D1846-R2011 IonicContact OD1-NH2 2.67Å; D1846-R2011 PolarHBondContact OD1-NH2 2.84Å; D1846-R2011 IonicContact OD2-CZ 3.88Å; D1846-R2011 VanDerWaalsContact OD2-CZ 3.28Å; D1846-R2011 IonicContact OD2-NH1 3.63Å; D1846-R2011 PolarHBondContact OD2-NH1 2.81Å; D1846-R2011 IonicContact OD2-NH2 3.15Å; D1846-R2011 PolarHBondContact OD2-NH2 3.14Å |
| 1847 | V | 87 | Confident | 84.5 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -89.4 | 130.6 | -175.1 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | D1829 Y1831 Y1849 N1904 R2011 | D1829-V1847 HydrophobicContact CB-CG1 3.91Å; D1829-V1847 WeakPolarHBondContact O-CG1 3.27Å; Y1831-V1847 HydrophobicContact CD1-CG2 4.36Å; Y1831-V1847 HydrophobicContact CG-CG2 4.33Å; V1847-Y1849 HydrophobicContact CB-CD1 4.37Å; V1847-Y1849 HydrophobicContact CB-CD2 4.36Å; V1847-Y1849 HydrophobicContact CB-CE1 3.84Å; V1847-Y1849 HydrophobicContact CB-CE2 3.88Å; V1847-Y1849 HydrophobicContact CG1-CD1 3.67Å; V1847-Y1849 HydrophobicContact CG1-CD2 4.38Å; V1847-Y1849 HydrophobicContact CG1-CE1 3.44Å; V1847-Y1849 VanDerWaalsContact CG1-CE1 3.44Å; V1847-Y1849 HydrophobicContact CG1-CE2 4.23Å; V1847-Y1849 HydrophobicContact CG1-CG 4.14Å; V1847-Y1849 HydrophobicContact CG2-CE1 4.47Å; V1847-Y1849 PolarHBondContact O-N 2.78Å; V1847-N1904 HydrophobicContact CG1-CB 3.77Å; V1847-N1904 HydrophobicContact CG2-CB 4.04Å; V1847-R2011 PolarHBondContact O-NH1 3.23Å |
| 1848 | H | 87.8 | Confident | 85 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.046 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 89.3 | 166.2 | -167.1 | 126.6 | 0 | 0 | 0 | 109.1 | I1830 R1850 N1857 F1858 | I1830-H1848 PolarHBondContact N-O 3Å; I1830-H1848 PolarHBondContact O-N 2.84Å; H1848-R1850 PolarHBondContact O-N 2.77Å; H1848-N1857 PolarHBondContact ND1-N 2.75Å; H1848-F1858 HydrophobicContact CB-CE1 4.09Å; H1848-F1858 HydrophobicContact CB-CZ 4.37Å |
| 1849 | Y | 82.2 | Confident | 85.8 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.6 | 178.9 | -63.8 | -69.9 | 0 | 0 | 0 | 111.8 | D1829 V1847 S2015 L2017 | D1829-Y1849 HydrophobicContact CB-CD1 4.08Å; D1829-Y1849 VanDerWaalsContact OD1-CA 3.25Å; D1829-Y1849 WeakPolarHBondContact OD1-CA 3.24Å; D1829-Y1849 WeakPolarHBondContact OD2-CD1 3.24Å; V1847-Y1849 HydrophobicContact CB-CD1 4.37Å; V1847-Y1849 HydrophobicContact CB-CD2 4.36Å; V1847-Y1849 HydrophobicContact CB-CE1 3.84Å; V1847-Y1849 HydrophobicContact CB-CE2 3.88Å; V1847-Y1849 HydrophobicContact CG1-CD1 3.67Å; V1847-Y1849 HydrophobicContact CG1-CD2 4.38Å; V1847-Y1849 HydrophobicContact CG1-CE1 3.44Å; V1847-Y1849 VanDerWaalsContact CG1-CE1 3.44Å; V1847-Y1849 HydrophobicContact CG1-CE2 4.23Å; V1847-Y1849 HydrophobicContact CG1-CG 4.14Å; V1847-Y1849 HydrophobicContact CG2-CE1 4.47Å; V1847-Y1849 PolarHBondContact O-N 2.78Å; Y1849-S2015 VanDerWaalsContact O-CA 3.26Å; Y1849-S2015 WeakPolarHBondContact O-CA 3.44Å; Y1849-S2015 VanDerWaalsContact O-CB 3.32Å; Y1849-S2015 WeakPolarHBondContact O-CB 3.49Å; Y1849-S2015 PolarHBondContact O-OG 2.95Å; Y1849-L2017 HydrophobicContact CD1-CB 4.45Å; Y1849-L2017 HydrophobicContact CD1-CD1 3.63Å; Y1849-L2017 HydrophobicContact CD2-CB 4.5Å; Y1849-L2017 HydrophobicContact CE1-CB 4.28Å; Y1849-L2017 HydrophobicContact CE1-CD1 3.05Å; Y1849-L2017 HydrophobicContact CE1-CG 4.25Å; Y1849-L2017 HydrophobicContact CE2-CB 4.28Å; Y1849-L2017 HydrophobicContact CE2-CD1 4.38Å; Y1849-L2017 HydrophobicContact CG-CD1 4.5Å; Y1849-L2017 VanDerWaalsContact CZ-CD1 3.48Å |
| 1850 | R | 79.2 | Confident | 86.4 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.3 | 48.7 | 167.5 | -45.2 | -176.9 | 99.9 | -150.8 | 9.6 | 112.4 | M1827 D1829 H1848 L1852 I2029 | M1827-R1850 HydrophobicContact CE-CB 4.1Å; M1827-R1850 HydrophobicContact CE-CG 4.43Å; M1827-R1850 HydrophobicContact SD-CB 4.1Å; M1827-R1850 HydrophobicContact SD-CG 4.01Å; D1829-R1850 PolarHBondContact OD1-N 3.32Å; H1848-R1850 PolarHBondContact O-N 2.77Å; R1850-L1852 PolarHBondContact O-N 3.27Å; R1850-I2029 VanDerWaalsContact CZ-CD1 3.44Å |
| 1851 | S | 83.1 | Confident | 87.5 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 112.6 | 168.5 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | L1817 M1827 S1828 I1830 N1853 G1854 E1855 | L1817-S1851 VanDerWaalsContact CD2-O 3.3Å; L1817-S1851 WeakPolarHBondContact CD2-O 3.43Å; M1827-S1851 VanDerWaalsContact CA-O 3.28Å; M1827-S1851 WeakPolarHBondContact CA-O 3.22Å; S1828-S1851 PolarHBondContact N-O 2.84Å; S1828-S1851 VanDerWaalsContact N-O 3.15Å; S1828-S1851 VanDerWaalsContact O-CB 3.31Å; S1828-S1851 WeakPolarHBondContact O-CB 3.41Å; S1828-S1851 PolarHBondContact O-N 2.78Å; I1830-S1851 VanDerWaalsContact CD1-CB 3.48Å; S1851-N1853 PolarHBondContact OG-OD1 3.45Å; S1851-G1854 PolarHBondContact OG-N 3.42Å; S1851-E1855 WeakPolarHBondContact CB-O 3.37Å; S1851-E1855 PolarHBondContact OG-N 2.98Å; S1851-E1855 PolarHBondContact OG-O 2.92Å |
| 1852 | L | 81 | Confident | 88.1 | Confident | 87 Ų | 87 | 39.1 Ų | 39.1 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -90.6 | -11.1 | -177.9 | -62.4 | 177.9 | 0 | 0 | 0 | 113 | L1817 M1827 R1850 | L1817-L1852 WeakPolarHBondContact CD1-O 2.9Å; M1827-L1852 HydrophobicContact CB-CD2 3.94Å; M1827-L1852 HydrophobicContact CE-CD2 3.58Å; R1850-L1852 PolarHBondContact O-N 3.27Å |
| 1853 | N | 82 | Confident | 88.3 | Confident | 90 Ų | 90 | 31.8 Ų | 31.8 | 48% | 0.481 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -127.7 | 8.9 | -172.8 | 65.1 | -18.4 | 0 | 0 | 0 | 112.6 | S1851 E1855 | S1851-N1853 PolarHBondContact OG-OD1 3.45Å; N1853-E1855 WeakPolarHBondContact ND2-CG 3.45Å; N1853-E1855 PolarHBondContact ND2-OE2 2.8Å; N1853-E1855 PolarHBondContact O-N 3.28Å; N1853-E1855 WeakPolarHBondContact OD1-CB 3.36Å; N1853-E1855 PolarHBondContact OD1-N 2.84Å |
| 1854 | G | 82.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 72 | 17.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1813 D1814 V1815 S1851 | F1813-G1854 CarbonylContact C-O 3.54Å; F1813-G1854 WeakPolarHBondContact CA-O 3.47Å; D1814-G1854 PolarHBondContact N-O 2.71Å; V1815-G1854 WeakPolarHBondContact CB-O 3.09Å; V1815-G1854 WeakPolarHBondContact CG2-O 3.42Å; V1815-G1854 PolarHBondContact N-O 3.29Å; V1815-G1854 VanDerWaalsContact O-CA 3.28Å; V1815-G1854 WeakPolarHBondContact O-CA 3.43Å; S1851-G1854 PolarHBondContact OG-N 3.42Å |
| 1855 | E | 88.1 | Confident | 88.1 | Confident | 63 Ų | 63 | 28 Ų | 28 | 29% | 0.294 | 14% | 0.142 | S | C | . | . | trans | -100.8 | 126.1 | 175.6 | -58.6 | -173.1 | 158 | 0 | 0 | 111.1 | T1812 F1813 S1851 N1853 R1930 | T1812-E1855 CarbonylContact O-C 3.6Å; T1812-E1855 VanDerWaalsContact O-CA 3.25Å; T1812-E1855 WeakPolarHBondContact O-CA 3.47Å; F1813-E1855 HydrophobicContact CD1-CB 4.44Å; F1813-E1855 HydrophobicContact CD1-CG 3.74Å; F1813-E1855 WeakPolarHBondContact CD1-OE1 3.32Å; F1813-E1855 HydrophobicContact CE1-CG 4.27Å; S1851-E1855 WeakPolarHBondContact CB-O 3.37Å; S1851-E1855 PolarHBondContact OG-N 2.98Å; S1851-E1855 PolarHBondContact OG-O 2.92Å; N1853-E1855 WeakPolarHBondContact ND2-CG 3.45Å; N1853-E1855 PolarHBondContact ND2-OE2 2.8Å; N1853-E1855 PolarHBondContact O-N 3.28Å; N1853-E1855 WeakPolarHBondContact OD1-CB 3.36Å; N1853-E1855 PolarHBondContact OD1-N 2.84Å; E1855-R1930 IonicContact OE1-CZ 2.74Å; E1855-R1930 IonicContact OE1-NH1 3.44Å; E1855-R1930 PolarHBondContact OE1-NH1 2.84Å; E1855-R1930 IonicContact OE1-NH2 3.08Å | ||
| 1856 | G | 86.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 110.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N1811 T1812 F1858 | N1811-G1856 CarbonylContact C-O 3.53Å; N1811-G1856 WeakPolarHBondContact CA-O 3.39Å; T1812-G1856 PolarHBondContact N-O 2.89Å; T1812-G1856 PolarHBondContact O-N 2.93Å; T1812-G1856 WeakPolarHBondContact OG1-CA 3.33Å; T1812-G1856 PolarHBondContact OG1-N 3.29Å; T1812-G1856 VanDerWaalsContact OG1-N 3.11Å; T1812-G1856 PolarHBondContact OG1-O 2.61Å; G1856-F1858 VanDerWaalsContact O-CD2 3.27Å; G1856-F1858 WeakPolarHBondContact O-CD2 3.38Å; G1856-F1858 WeakPolarHBondContact O-CE2 3.43Å |
| 1857 | N | 90.1 | Very high | 87.9 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 17% | 0.166 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.7 | 174.5 | -171.7 | -52.6 | 0 | 0 | 0 | 111.7 | N1811 H1848 P2009 R2011 | N1811-N1857 VanDerWaalsContact OD1-CA 3.3Å; N1811-N1857 WeakPolarHBondContact OD1-CA 3.34Å; N1811-N1857 WeakPolarHBondContact OD1-CB 3.47Å; N1811-N1857 PolarHBondContact OD1-ND2 3.11Å; N1811-N1857 VanDerWaalsContact OD1-ND2 3.08Å; H1848-N1857 PolarHBondContact ND1-N 2.75Å; N1857-P2009 HydrophobicContact CB-CB 4.46Å; N1857-P2009 VanDerWaalsContact OD1-CA 3.3Å; N1857-P2009 WeakPolarHBondContact OD1-CA 3.26Å; N1857-P2009 WeakPolarHBondContact OD1-CB 3.44Å; N1857-R2011 VanDerWaalsContact O-CZ 3.25Å; N1857-R2011 PolarHBondContact O-NE 3.45Å; N1857-R2011 PolarHBondContact O-NH2 3.09Å |
| 1858 | F | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | -46.9 | -172.8 | -56 | -75.4 | 0 | 0 | 0 | 114.4 | V1809 W1810 T1812 I1830 V1832 T1845 D1846 H1848 G1856 W1860 | V1809-F1858 HydrophobicContact CG1-CD2 3.85Å; V1809-F1858 HydrophobicContact CG1-CG 4.48Å; W1810-F1858 PolarHBondContact O-N 3.44Å; T1812-F1858 HydrophobicContact CG2-CE2 3.88Å; I1830-F1858 HydrophobicContact CG2-CZ 4.11Å; I1830-F1858 WeakPolarHBondContact O-CE1 3.39Å; I1830-F1858 WeakPolarHBondContact O-CZ 3.19Å; V1832-F1858 HydrophobicContact CG2-CE2 4.12Å; V1832-F1858 HydrophobicContact CG2-CZ 4.45Å; T1845-F1858 HydrophobicContact CG2-CB 4.34Å; T1845-F1858 HydrophobicContact CG2-CD1 4.26Å; T1845-F1858 HydrophobicContact CG2-CG 4.18Å; T1845-F1858 WeakPolarHBondContact OG1-CD1 3.46Å; T1845-F1858 WeakPolarHBondContact OG1-CE1 3.27Å; D1846-F1858 VanDerWaalsContact O-CD1 3.23Å; D1846-F1858 WeakPolarHBondContact O-CD1 3.11Å; D1846-F1858 WeakPolarHBondContact O-CE1 3.44Å; H1848-F1858 HydrophobicContact CB-CE1 4.09Å; H1848-F1858 HydrophobicContact CB-CZ 4.37Å; G1856-F1858 VanDerWaalsContact O-CD2 3.27Å; G1856-F1858 WeakPolarHBondContact O-CD2 3.38Å; G1856-F1858 WeakPolarHBondContact O-CE2 3.43Å; F1858-W1860 VanDerWaalsContact C-N 3.34Å; F1858-W1860 HydrophobicContact CB-CB 3.93Å |
| 1859 | N | 91.8 | Very high | 87.5 | Confident | 19 Ų | 19 | 28.5 Ų | 28.5 | 10% | 0.102 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.7 | 56.4 | -167.3 | -60.5 | -12.5 | 0 | 0 | 0 | 111.5 | V1809 W1810 R1997 E2007 | V1809-N1859 PolarHBondContact O-N 3.39Å; W1810-N1859 HydrophobicContact CE3-CB 4.45Å; W1810-N1859 VanDerWaalsContact CE3-OD1 3.28Å; W1810-N1859 HydrophobicContact CZ3-CB 4.45Å; W1810-N1859 PolarHBondContact O-N 2.94Å; N1859-R1997 WeakPolarHBondContact O-CG 3.3Å; N1859-E2007 WeakPolarHBondContact CB-O 3.33Å; N1859-E2007 PolarHBondContact ND2-O 3.01Å |
| 1860 | W | 93.4 | Very high | 87.1 | Confident | 47 Ų | 47 | 27.9 Ų | 27.9 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.4 | -166.7 | -165.5 | -81.8 | 0 | 0 | 0 | 112.3 | V1808 V1809 K1844 T1845 D1846 F1858 F1862 A1996 R1997 | V1808-W1860 CarbonylContact C-O 3.58Å; V1808-W1860 WeakPolarHBondContact CA-O 3.39Å; V1809-W1860 PolarHBondContact N-O 3.06Å; V1809-W1860 PolarHBondContact O-N 3.03Å; K1844-W1860 PolarHBondContact O-NE1 3.02Å; T1845-W1860 HydrophobicContact CG2-CB 3.84Å; T1845-W1860 HydrophobicContact CG2-CG 3.85Å; D1846-W1860 HydrophobicContact CB-CE3 4.11Å; D1846-W1860 HydrophobicContact CB-CH2 4.08Å; D1846-W1860 HydrophobicContact CB-CZ3 3.58Å; F1858-W1860 VanDerWaalsContact C-N 3.34Å; F1858-W1860 HydrophobicContact CB-CB 3.93Å; W1860-F1862 AromaticContact CD1-CD1 3.54Å; W1860-F1862 AromaticContact CD1-CE1 3.26Å; W1860-F1862 HydrophobicContact CG-CE1 4.43Å; W1860-F1862 AromaticContact NE1-CD1 3.78Å; W1860-F1862 AromaticContact NE1-CE1 3.46Å; W1860-A1996 HydrophobicContact CD2-CB 3.78Å; W1860-A1996 HydrophobicContact CE3-CB 4.12Å; W1860-A1996 HydrophobicContact CH2-CB 3.56Å; W1860-A1996 HydrophobicContact CZ2-CB 3.19Å; W1860-A1996 HydrophobicContact CZ3-CB 4Å; W1860-R1997 VanDerWaalsContact CZ3-NH2 3.33Å |
| 1861 | R | 94.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.8 | 179 | -157.7 | 176.9 | -47.9 | 162.7 | 0.7 | 112.3 | L1807 V1808 V1863 A1993 G1994 A1996 N2001 E2002 P2004 L2006 | L1807-R1861 CarbonylContact O-C 3.58Å; L1807-R1861 WeakPolarHBondContact O-CA 3.36Å; V1808-R1861 HydrophobicContact CG2-CG 4.1Å; R1861-V1863 HydrophobicContact CG-CG2 4.09Å; R1861-A1993 VanDerWaalsContact NH1-CA 3.26Å; R1861-G1994 WeakPolarHBondContact CD-O 3.02Å; R1861-G1994 PolarHBondContact NH1-O 3.3Å; R1861-A1996 WeakPolarHBondContact CB-O 3.3Å; R1861-A1996 PolarHBondContact N-O 3.48Å; R1861-A1996 VanDerWaalsContact N-O 3.17Å; R1861-A1996 WeakPolarHBondContact O-CA 3.42Å; R1861-A1996 PolarHBondContact O-N 3.37Å; R1861-N2001 PolarHBondContact NH2-OD1 3.15Å; R1861-E2002 PolarHBondContact NH1-O 3.35Å; R1861-E2002 PolarHBondContact NH2-O 2.93Å; R1861-P2004 PolarHBondContact NH2-O 3.4Å; R1861-L2006 HydrophobicContact CB-CD1 3.75Å |
| 1862 | F | 95 | Very high | 86.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.9 | 159.3 | -56.6 | -29.8 | 0 | 0 | 0 | 110.3 | R1806 L1807 V1809 Q1843 K1844 T1845 W1860 F1864 L1899 | R1806-F1862 WeakPolarHBondContact CA-O 3.48Å; L1807-F1862 HydrophobicContact CB-CB 4.27Å; L1807-F1862 HydrophobicContact CD2-CD2 3.96Å; L1807-F1862 HydrophobicContact CG-CD2 4.46Å; L1807-F1862 PolarHBondContact N-O 2.79Å; L1807-F1862 PolarHBondContact O-N 3.02Å; V1809-F1862 HydrophobicContact CG2-CD2 4.33Å; V1809-F1862 HydrophobicContact CG2-CE2 3.98Å; V1809-F1862 HydrophobicContact CG2-CZ 4.48Å; Q1843-F1862 HydrophobicContact CB-CB 4.43Å; Q1843-F1862 HydrophobicContact CB-CD1 3.59Å; Q1843-F1862 HydrophobicContact CB-CE1 3.9Å; Q1843-F1862 HydrophobicContact CB-CG 3.99Å; Q1843-F1862 VanDerWaalsContact OE1-CA 3.23Å; K1844-F1862 VanDerWaalsContact C-CE1 3.47Å; T1845-F1862 HydrophobicContact CG2-CE1 3.99Å; T1845-F1862 HydrophobicContact CG2-CZ 3.59Å; W1860-F1862 AromaticContact CD1-CD1 3.54Å; W1860-F1862 AromaticContact CD1-CE1 3.26Å; W1860-F1862 HydrophobicContact CG-CE1 4.43Å; W1860-F1862 AromaticContact NE1-CD1 3.78Å; W1860-F1862 AromaticContact NE1-CE1 3.46Å; F1862-F1864 HydrophobicContact CB-CD2 4.24Å; F1862-F1864 HydrophobicContact CB-CE1 4.32Å; F1862-F1864 HydrophobicContact CB-CE2 3.44Å; F1862-F1864 VanDerWaalsContact CB-CE2 3.44Å; F1862-F1864 HydrophobicContact CB-CZ 3.49Å; F1862-F1864 VanDerWaalsContact CB-CZ 3.49Å; F1862-F1864 HydrophobicContact CD2-CE2 4.1Å; F1862-F1864 AromaticContact CD2-CZ 3.84Å; F1862-F1864 HydrophobicContact CD2-CZ 3.84Å; F1862-F1864 HydrophobicContact CG-CE2 4.18Å; F1862-F1864 AromaticContact CG-CZ 3.89Å; F1862-F1864 HydrophobicContact CG-CZ 3.89Å; F1862-L1899 HydrophobicContact CE2-CD2 4.34Å |
| 1863 | V | 91.8 | Very high | 86 | Confident | 17 Ų | 17 | 25.2 Ų | 25.2 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 105.4 | -179.1 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | I1804 Q1843 R1861 P1865 K1995 | I1804-V1863 HydrophobicContact CG2-CG1 3.4Å; Q1843-V1863 PolarHBondContact NE2-O 3.12Å; Q1843-V1863 VanDerWaalsContact OE1-N 3.09Å; R1861-V1863 HydrophobicContact CG-CG2 4.09Å; V1863-P1865 WeakPolarHBondContact O-CD 3.3Å; V1863-K1995 HydrophobicContact CB-CG 4.03Å; V1863-K1995 HydrophobicContact CG2-CG 4.13Å |
| 1864 | F | 92.5 | Very high | 86 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 101.9 | -177.8 | -54 | -69.2 | 0 | 0 | 0 | 109.7 | I1804 L1805 L1807 G1834 L1836 D1841 Q1843 F1862 F1866 L1897 | I1804-F1864 WeakPolarHBondContact CA-O 3.34Å; L1805-F1864 HydrophobicContact CB-CB 4.37Å; L1805-F1864 HydrophobicContact CD2-CD2 4.17Å; L1805-F1864 HydrophobicContact CG-CD2 4.42Å; L1805-F1864 PolarHBondContact N-O 2.83Å; L1805-F1864 PolarHBondContact O-N 3.02Å; L1807-F1864 HydrophobicContact CD2-CE2 4.46Å; G1834-F1864 WeakPolarHBondContact O-CE1 3.45Å; G1834-F1864 VanDerWaalsContact O-CZ 3.3Å; G1834-F1864 WeakPolarHBondContact O-CZ 3.47Å; L1836-F1864 HydrophobicContact CD1-CB 3.7Å; L1836-F1864 HydrophobicContact CD1-CG 4.43Å; L1836-F1864 HydrophobicContact CG-CB 4.21Å; L1836-F1864 HydrophobicContact CG-CG 4.41Å; D1841-F1864 WeakPolarHBondContact O-CE1 3.44Å; Q1843-F1864 HydrophobicContact CB-CE1 3.98Å; Q1843-F1864 HydrophobicContact CB-CZ 4.21Å; Q1843-F1864 HydrophobicContact CG-CD1 4.48Å; Q1843-F1864 HydrophobicContact CG-CE1 3.75Å; Q1843-F1864 HydrophobicContact CG-CZ 4.43Å; F1862-F1864 HydrophobicContact CB-CD2 4.24Å; F1862-F1864 HydrophobicContact CB-CE1 4.32Å; F1862-F1864 HydrophobicContact CB-CE2 3.44Å; F1862-F1864 VanDerWaalsContact CB-CE2 3.44Å; F1862-F1864 HydrophobicContact CB-CZ 3.49Å; F1862-F1864 VanDerWaalsContact CB-CZ 3.49Å; F1862-F1864 HydrophobicContact CD2-CE2 4.1Å; F1862-F1864 AromaticContact CD2-CZ 3.84Å; F1862-F1864 HydrophobicContact CD2-CZ 3.84Å; F1862-F1864 HydrophobicContact CG-CE2 4.18Å; F1862-F1864 AromaticContact CG-CZ 3.89Å; F1862-F1864 HydrophobicContact CG-CZ 3.89Å; F1864-F1866 WeakPolarHBondContact O-CD1 3.41Å; F1864-L1897 HydrophobicContact CE2-CD1 4.16Å |
| 1865 | P | 89.5 | Confident | 86 | Confident | 63 Ų | 63 | 22.3 Ų | 22.3 | 41% | 0.409 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.6 | 167.6 | 30.9 | -32.1 | 0 | 0 | 0 | 109.9 | Y1803 I1804 V1863 | Y1803-P1865 CarbonylContact O-C 3.57Å; Y1803-P1865 WeakPolarHBondContact O-CA 3.46Å; I1804-P1865 HydrophobicContact CG1-CB 4.34Å; V1863-P1865 WeakPolarHBondContact O-CD 3.3Å |
| 1866 | F | 89.6 | Confident | 85.7 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 152.7 | 178.8 | 68.1 | -79.4 | 0 | 0 | 0 | 111.3 | Y1803 L1805 L1836 L1839 F1864 Y1868 I1875 L1920 F1951 L1982 | Y1803-F1866 PolarHBondContact N-O 2.78Å; Y1803-F1866 PolarHBondContact O-N 2.89Å; L1805-F1866 HydrophobicContact CB-CD1 4.46Å; L1805-F1866 HydrophobicContact CB-CE1 3.77Å; L1836-F1866 HydrophobicContact CD1-CB 4.09Å; L1836-F1866 HydrophobicContact CD1-CD1 3.52Å; L1836-F1866 HydrophobicContact CD1-CD2 4.49Å; L1836-F1866 HydrophobicContact CD1-CE1 3.99Å; L1836-F1866 HydrophobicContact CD1-CG 3.81Å; L1839-F1866 HydrophobicContact CD1-CB 3.65Å; F1864-F1866 WeakPolarHBondContact O-CD1 3.41Å; F1866-Y1868 HydrophobicContact CE2-CD2 4.35Å; F1866-Y1868 HydrophobicContact CE2-CG 4.18Å; F1866-I1875 HydrophobicContact CB-CG2 4.08Å; F1866-I1875 HydrophobicContact CD2-CB 4.4Å; F1866-I1875 HydrophobicContact CD2-CD1 3.59Å; F1866-I1875 HydrophobicContact CD2-CG1 3.64Å; F1866-I1875 HydrophobicContact CD2-CG2 4.07Å; F1866-I1875 HydrophobicContact CE2-CD1 3.93Å; F1866-I1875 HydrophobicContact CE2-CG1 3.95Å; F1866-I1875 HydrophobicContact CG-CD1 4.19Å; F1866-L1920 HydrophobicContact CZ-CD1 4.41Å; F1866-F1951 AromaticContact CE2-CE1 3.95Å; F1866-F1951 HydrophobicContact CE2-CE1 3.95Å; F1866-F1951 AromaticContact CE2-CZ 3.94Å; F1866-F1951 HydrophobicContact CE2-CZ 3.94Å; F1866-F1951 AromaticContact CZ-CE1 3.91Å; F1866-F1951 HydrophobicContact CZ-CE1 3.91Å; F1866-F1951 HydrophobicContact CZ-CZ 4.03Å; F1866-L1982 HydrophobicContact CE1-CD1 3.64Å; F1866-L1982 HydrophobicContact CZ-CD1 3.57Å |
| 1867 | F | 87.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 19.8 Ų | 19.8 | 29% | 0.294 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.2 | 170.6 | -60.3 | -87.3 | 0 | 0 | 0 | 108.9 | P1800 N1801 E1802 I1875 V1876 | P1800-F1867 HydrophobicContact CB-CB 3.93Å; P1800-F1867 HydrophobicContact CG-CB 4.03Å; N1801-F1867 CarbonylContact O-C 3.54Å; N1801-F1867 WeakPolarHBondContact O-CA 3.5Å; E1802-F1867 HydrophobicContact CB-CD1 3.9Å; E1802-F1867 HydrophobicContact CB-CE1 3.81Å; E1802-F1867 HydrophobicContact CG-CD1 4.16Å; E1802-F1867 HydrophobicContact CG-CE1 3.86Å; E1802-F1867 HydrophobicContact CG-CZ 4.27Å; F1867-I1875 CarbonylContact O-C 3.52Å; F1867-I1875 WeakPolarHBondContact O-CA 3.38Å; F1867-I1875 VanDerWaalsContact O-CG2 3.32Å; F1867-I1875 WeakPolarHBondContact O-CG2 3.2Å; F1867-V1876 HydrophobicContact CB-CB 4.19Å; F1867-V1876 WeakPolarHBondContact CB-O 3.38Å; F1867-V1876 PolarHBondContact O-N 2.95Å |
| 1868 | Y | 84.8 | Confident | 84.6 | Confident | 6 Ų | 6 | 23 Ų | 23 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.2 | -177.8 | 179.6 | -115.1 | 0 | 0 | 0 | 110.2 | N1801 Y1803 F1866 P1870 N1873 N1874 I1875 P1895 F1951 | N1801-Y1868 PolarHBondContact N-O 3.2Å; N1801-Y1868 PolarHBondContact O-N 3.02Å; Y1803-Y1868 HydrophobicContact CD2-CD1 4.35Å; Y1803-Y1868 HydrophobicContact CE2-CD1 4.05Å; F1866-Y1868 HydrophobicContact CE2-CD2 4.35Å; F1866-Y1868 HydrophobicContact CE2-CG 4.18Å; Y1868-P1870 HydrophobicContact CD1-CB 4.32Å; Y1868-P1870 HydrophobicContact CD1-CG 3.85Å; Y1868-P1870 VanDerWaalsContact CE1-CA 3.43Å; Y1868-P1870 HydrophobicContact CE1-CB 3.86Å; Y1868-P1870 HydrophobicContact CE1-CG 3.91Å; Y1868-P1870 WeakPolarHBondContact O-CD 3.39Å; Y1868-N1873 PolarHBondContact OH-OD1 3.08Å; Y1868-N1874 WeakPolarHBondContact CD2-O 3.41Å; Y1868-I1875 HydrophobicContact CD2-CG1 4.34Å; Y1868-P1895 HydrophobicContact CD2-CB 4.38Å; Y1868-P1895 HydrophobicContact CE2-CB 4.13Å; Y1868-P1895 HydrophobicContact CE2-CG 3.87Å; Y1868-F1951 AromaticContact CD1-CD1 3.39Å; Y1868-F1951 HydrophobicContact CD1-CD1 3.39Å; Y1868-F1951 AromaticContact CD1-CE1 3.14Å; Y1868-F1951 HydrophobicContact CD1-CE1 3.14Å; Y1868-F1951 HydrophobicContact CD1-CE2 4.47Å; Y1868-F1951 HydrophobicContact CD1-CG 4.2Å; Y1868-F1951 AromaticContact CD1-CZ 3.76Å; Y1868-F1951 HydrophobicContact CD1-CZ 3.76Å; Y1868-F1951 AromaticContact CD2-CE1 3.85Å; Y1868-F1951 HydrophobicContact CD2-CE1 3.85Å; Y1868-F1951 HydrophobicContact CD2-CE2 4.34Å; Y1868-F1951 AromaticContact CD2-CZ 3.61Å; Y1868-F1951 HydrophobicContact CD2-CZ 3.61Å; Y1868-F1951 HydrophobicContact CE1-CB 4.38Å; Y1868-F1951 AromaticContact CE1-CD1 3.23Å; Y1868-F1951 HydrophobicContact CE1-CD1 3.23Å; Y1868-F1951 AromaticContact CE1-CD2 3.88Å; Y1868-F1951 HydrophobicContact CE1-CD2 3.88Å; Y1868-F1951 AromaticContact CE1-CE1 3.3Å; Y1868-F1951 HydrophobicContact CE1-CE1 3.3Å; Y1868-F1951 AromaticContact CE1-CE2 3.91Å; Y1868-F1951 HydrophobicContact CE1-CE2 3.91Å; Y1868-F1951 AromaticContact CE1-CG 3.56Å; Y1868-F1951 HydrophobicContact CE1-CG 3.56Å; Y1868-F1951 AromaticContact CE1-CZ 3.65Å; Y1868-F1951 HydrophobicContact CE1-CZ 3.65Å; Y1868-F1951 HydrophobicContact CE2-CD2 4.46Å; Y1868-F1951 HydrophobicContact CE2-CE1 4.01Å; Y1868-F1951 AromaticContact CE2-CE2 3.79Å; Y1868-F1951 HydrophobicContact CE2-CE2 3.79Å; Y1868-F1951 AromaticContact CE2-CZ 3.53Å; Y1868-F1951 HydrophobicContact CE2-CZ 3.53Å; Y1868-F1951 HydrophobicContact CG-CD1 4.16Å; Y1868-F1951 AromaticContact CG-CE1 3.43Å; Y1868-F1951 HydrophobicContact CG-CE1 3.43Å; Y1868-F1951 VanDerWaalsContact CG-CE1 3.43Å; Y1868-F1951 AromaticContact CG-CZ 3.73Å; Y1868-F1951 HydrophobicContact CG-CZ 3.73Å; Y1868-F1951 AromaticContact CZ-CD1 3.93Å; Y1868-F1951 AromaticContact CZ-CD2 3.76Å; Y1868-F1951 AromaticContact CZ-CE1 3.74Å; Y1868-F1951 AromaticContact CZ-CE2 3.53Å; Y1868-F1951 AromaticContact CZ-CG 3.96Å; Y1868-F1951 AromaticContact CZ-CZ 3.54Å |
| 1869 | L | 81.8 | Confident | 83.8 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 98.2 | 175.1 | -156.4 | 105.2 | 0 | 0 | 0 | 108.8 | R1798 P1800 A1871 E1872 N1873 N1874 V1876 | R1798-L1869 HydrophobicContact CB-CD1 3.74Å; R1798-L1869 HydrophobicContact CB-CD2 3.97Å; R1798-L1869 HydrophobicContact CB-CG 4.23Å; R1798-L1869 VanDerWaalsContact O-CD1 3.22Å; R1798-L1869 WeakPolarHBondContact O-CD1 3.34Å; P1800-L1869 HydrophobicContact CB-CB 4.37Å; P1800-L1869 HydrophobicContact CB-CD1 3.97Å; L1869-A1871 PolarHBondContact O-N 2.93Å; L1869-A1871 VanDerWaalsContact O-N 3.15Å; L1869-E1872 HydrophobicContact CD2-CB 3.61Å; L1869-E1872 HydrophobicContact CD2-CG 3.39Å; L1869-E1872 PolarHBondContact O-N 2.84Å; L1869-N1873 PolarHBondContact O-N 2.8Å; L1869-N1873 VanDerWaalsContact O-N 3.11Å; L1869-N1874 PolarHBondContact N-O 2.91Å; L1869-V1876 HydrophobicContact CB-CG2 4.24Å |
| 1870 | P | 73 | Confident | 82.3 | Confident | 41 Ų | 41 | 31.7 Ų | 31.7 | 27% | 0.266 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.8 | -171.8 | -23.6 | 34.2 | 0 | 0 | 0 | 114.1 | Y1868 | Y1868-P1870 HydrophobicContact CD1-CB 4.32Å; Y1868-P1870 HydrophobicContact CD1-CG 3.85Å; Y1868-P1870 VanDerWaalsContact CE1-CA 3.43Å; Y1868-P1870 HydrophobicContact CE1-CB 3.86Å; Y1868-P1870 HydrophobicContact CE1-CG 3.91Å; Y1868-P1870 WeakPolarHBondContact O-CD 3.39Å |
| 1871 | A | 70.4 | Confident | 80.7 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1475 L1477 L1869 | K1475-A1871 WeakPolarHBondContact CA-O 3.36Å; L1477-A1871 HydrophobicContact CD1-CB 4.07Å; L1477-A1871 HydrophobicContact CD2-CB 3.7Å; L1477-A1871 HydrophobicContact CG-CB 3.97Å; L1869-A1871 PolarHBondContact O-N 2.93Å; L1869-A1871 VanDerWaalsContact O-N 3.15Å |
| 1872 | E | 74 | Confident | 79 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 1 | 174.7 | -66.2 | 176.9 | -165.4 | 0 | 0 | 112.6 | Y1467 K1475 L1869 N1874 R1892 | Y1467-E1872 PolarHBondContact OH-OE1 2.97Å; K1475-E1872 HydrophobicContact CB-CG 4.38Å; K1475-E1872 HydrophobicContact CD-CG 4.17Å; K1475-E1872 HydrophobicContact CG-CB 4.43Å; K1475-E1872 HydrophobicContact CG-CG 4.16Å; L1869-E1872 HydrophobicContact CD2-CB 3.61Å; L1869-E1872 HydrophobicContact CD2-CG 3.39Å; L1869-E1872 PolarHBondContact O-N 2.84Å; E1872-N1874 VanDerWaalsContact C-N 3.27Å; E1872-N1874 PolarHBondContact O-N 2.81Å; E1872-N1874 PolarHBondContact O-ND2 2.78Å; E1872-R1892 IonicContact OE1-NH1 2.65Å; E1872-R1892 PolarHBondContact OE1-NH1 2.84Å; E1872-R1892 IonicContact OE2-CZ 3.76Å; E1872-R1892 IonicContact OE2-NE 3.34Å; E1872-R1892 IonicContact OE2-NH1 3.54Å; E1872-R1892 PolarHBondContact OE2-NH1 2.93Å |
| 1873 | N | 76.5 | Confident | 77.1 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 41.3 | -179.1 | -167.9 | 17.6 | 0 | 0 | 0 | 113.7 | Y1868 L1869 P1895 S1921 | Y1868-N1873 PolarHBondContact OH-OD1 3.08Å; L1869-N1873 PolarHBondContact O-N 2.8Å; L1869-N1873 VanDerWaalsContact O-N 3.11Å; N1873-P1895 WeakPolarHBondContact O-CD 3.43Å; N1873-S1921 PolarHBondContact ND2-OG 2.79Å; N1873-S1921 WeakPolarHBondContact OD1-CB 3.49Å; N1873-S1921 PolarHBondContact OD1-OG 3.23Å |
| 1874 | N | 81.9 | Confident | 75.1 | Confident | 29 Ų | 29 | 56 Ų | 56 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.2 | -177.3 | -73.8 | -33.7 | 0 | 0 | 0 | 111.9 | Y1868 L1869 E1872 R1892 V1893 | Y1868-N1874 WeakPolarHBondContact CD2-O 3.41Å; L1869-N1874 PolarHBondContact N-O 2.91Å; E1872-N1874 VanDerWaalsContact C-N 3.27Å; E1872-N1874 PolarHBondContact O-N 2.81Å; E1872-N1874 PolarHBondContact O-ND2 2.78Å; N1874-R1892 HydrophobicContact CB-CB 4.23Å; N1874-V1893 CarbonylContact C-O 3.54Å; N1874-V1893 WeakPolarHBondContact CA-O 3.36Å |
| 1875 | I | 82.9 | Confident | 73.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 134 | 161.9 | -61.2 | -173.3 | 0 | 0 | 0 | 108.4 | L1836 F1866 F1867 Y1868 I1877 R1892 V1893 P1895 | L1836-I1875 HydrophobicContact CB-CD1 4.33Å; L1836-I1875 HydrophobicContact CD1-CD1 4.14Å; L1836-I1875 HydrophobicContact CD2-CD1 4.39Å; F1866-I1875 HydrophobicContact CB-CG2 4.08Å; F1866-I1875 HydrophobicContact CD2-CB 4.4Å; F1866-I1875 HydrophobicContact CD2-CD1 3.59Å; F1866-I1875 HydrophobicContact CD2-CG1 3.64Å; F1866-I1875 HydrophobicContact CD2-CG2 4.07Å; F1866-I1875 HydrophobicContact CE2-CD1 3.93Å; F1866-I1875 HydrophobicContact CE2-CG1 3.95Å; F1866-I1875 HydrophobicContact CG-CD1 4.19Å; F1867-I1875 CarbonylContact O-C 3.52Å; F1867-I1875 WeakPolarHBondContact O-CA 3.38Å; F1867-I1875 VanDerWaalsContact O-CG2 3.32Å; F1867-I1875 WeakPolarHBondContact O-CG2 3.2Å; Y1868-I1875 HydrophobicContact CD2-CG1 4.34Å; I1875-I1877 HydrophobicContact CG2-CG1 4.02Å; I1875-R1892 WeakPolarHBondContact O-CA 3.18Å; I1875-V1893 PolarHBondContact N-O 3.42Å; I1875-V1893 PolarHBondContact O-N 2.76Å; I1875-P1895 HydrophobicContact CD1-CB 3.88Å; I1875-P1895 HydrophobicContact CG1-CB 3.69Å |
| 1876 | V | 80.7 | Confident | 71.8 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.6 | 172.3 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | P1800 F1867 L1869 E1890 R1892 | P1800-V1876 HydrophobicContact CB-CB 3.98Å; P1800-V1876 HydrophobicContact CB-CG2 3.65Å; P1800-V1876 HydrophobicContact CG-CB 3.9Å; P1800-V1876 HydrophobicContact CG-CG1 4.13Å; P1800-V1876 HydrophobicContact CG-CG2 3.9Å; F1867-V1876 HydrophobicContact CB-CB 4.19Å; F1867-V1876 WeakPolarHBondContact CB-O 3.38Å; F1867-V1876 PolarHBondContact O-N 2.95Å; L1869-V1876 HydrophobicContact CB-CG2 4.24Å; V1876-E1890 HydrophobicContact CG1-CB 4.35Å; V1876-R1892 HydrophobicContact CG2-CG 4.46Å |
| 1877 | I | 77.5 | Confident | 70.7 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.7 | -179 | -61.3 | 148.6 | 0 | 0 | 0 | 107.7 | G1838 L1839 I1875 E1890 Q1891 V1893 | G1838-I1877 VanDerWaalsContact C-CD1 3.48Å; G1838-I1877 WeakPolarHBondContact O-CD1 3.41Å; L1839-I1877 HydrophobicContact CD2-CG1 4.11Å; L1839-I1877 HydrophobicContact CD2-CG2 4.25Å; L1839-I1877 HydrophobicContact CG-CG1 4.35Å; I1875-I1877 HydrophobicContact CG2-CG1 4.02Å; I1877-E1890 WeakPolarHBondContact O-CA 3.24Å; I1877-Q1891 HydrophobicContact CB-CB 4.46Å; I1877-Q1891 PolarHBondContact N-O 3.3Å; I1877-Q1891 PolarHBondContact O-N 2.94Å; I1877-V1893 HydrophobicContact CD1-CB 4.14Å; I1877-V1893 HydrophobicContact CD1-CG2 3.64Å |
| 1878 | K | 76.6 | Confident | 69.9 | Low | 99 Ų | 99 | 62.3 Ų | 62.3 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 112.7 | 175.1 | -56.1 | -161.6 | -172.9 | -138.8 | 0 | 109 | V1888 T1889 E1890 | K1878-V1888 HydrophobicContact CB-CG1 3.72Å; K1878-T1889 WeakPolarHBondContact CA-O 3.39Å; K1878-E1890 WeakPolarHBondContact CE-OE1 3.33Å; K1878-E1890 HydrophobicContact CG-CG 4.24Å; K1878-E1890 IonicContact NZ-OE1 3.77Å; K1878-E1890 PolarHBondContact NZ-OE1 3.34Å |
| 1879 | R | 73.1 | Confident | 69.1 | Low | 95 Ų | 95 | 63.1 Ų | 63.1 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152.8 | -178.8 | 68.5 | 178.9 | -176.4 | -172.7 | -1 | 112.8 | V1888 T1889 | R1879-V1888 CarbonylContact O-C 3.53Å; R1879-V1888 WeakPolarHBondContact O-CA 3.45Å; R1879-T1889 PolarHBondContact N-O 3.09Å; R1879-T1889 PolarHBondContact O-N 3.46Å; R1879-T1889 PolarHBondContact O-OG1 3.41Å |
| 1880 | K | 61.4 | Low | 68.8 | Low | 106 Ų | 106 | 68 Ų | 68 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | trans | -88.1 | 126.7 | 162 | -70.4 | 179.4 | 166.4 | -125.1 | 0 | 107.2 | H1882 S1885 M1886 V1888 | K1880-H1882 PolarHBondContact O-N 3.06Å; K1880-S1885 WeakPolarHBondContact CD-O 3.34Å; K1880-S1885 PolarHBondContact NZ-O 2.84Å; K1880-M1886 WeakPolarHBondContact CE-O 3.45Å; K1880-M1886 PolarHBondContact NZ-O 2.85Å; K1880-V1888 HydrophobicContact CG-CG2 4.03Å | ||
| 1881 | E | 59.2 | Low | 68.9 | Low | 69 Ų | 69 | 70 Ų | 70 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -57.4 | -38.4 | -176.8 | -81.8 | -162.2 | 136.5 | 0 | 0 | 112.4 | ||
| 1882 | H | 58.4 | Low | 69.3 | Low | 98 Ų | 98 | 73.5 Ų | 73.5 | 45% | 0.454 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -141.3 | 163.9 | 177.4 | -53.6 | -47.7 | 0 | 0 | 0 | 110.6 | K199 K1880 W1884 S1885 | K199-H1882 WeakPolarHBondContact CE-NE2 3.41Å; K1880-H1882 PolarHBondContact O-N 3.06Å; H1882-W1884 PolarHBondContact O-N 2.96Å; H1882-S1885 WeakPolarHBondContact O-CB 3.26Å; H1882-S1885 PolarHBondContact O-N 2.84Å |
| 1883 | F | 55 | Low | 69.6 | Low | 184 Ų | 184 | 74.7 Ų | 74.7 | 81% | 0.807 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.1 | -177.6 | -169.5 | -96.6 | 0 | 0 | 0 | 114.1 | ||
| 1884 | W | 51.5 | Low | 69.9 | Low | 226 Ų | 226 | 80 Ų | 80 | 86% | 0.856 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -4.5 | 179.4 | -53 | 110.8 | 0 | 0 | 0 | 114.7 | H1882 M1886 | H1882-W1884 PolarHBondContact O-N 2.96Å; W1884-M1886 PolarHBondContact O-N 2.88Å |
| 1885 | S | 51.8 | Low | 70.1 | Confident | 30 Ų | 30 | 78.6 Ų | 78.6 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | trans | -65.8 | 123.3 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 109.1 | K1880 H1882 D1887 | K1880-S1885 WeakPolarHBondContact CD-O 3.34Å; K1880-S1885 PolarHBondContact NZ-O 2.84Å; H1882-S1885 WeakPolarHBondContact O-CB 3.26Å; H1882-S1885 PolarHBondContact O-N 2.84Å; S1885-D1887 PolarHBondContact OG-O 3.04Å; S1885-D1887 VanDerWaalsContact OG-O 3.12Å | ||
| 1886 | M | 59.3 | Low | 70.4 | Confident | 130 Ų | 130 | 81.3 Ų | 81.3 | 64% | 0.64 | 37% | 0.365 | S | S | * | . | trans | -69.9 | -41 | 178.6 | -64.8 | -159.4 | -30.6 | 0 | 0 | 110.6 | K1880 W1884 | K1880-M1886 WeakPolarHBondContact CE-O 3.45Å; K1880-M1886 PolarHBondContact NZ-O 2.85Å; W1884-M1886 PolarHBondContact O-N 2.88Å | ||
| 1887 | D | 68.2 | Low | 71 | Confident | 41 Ų | 41 | 81.2 Ų | 81.2 | 22% | 0.219 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -94.4 | 149.2 | -169.6 | -61.1 | -33.7 | 0 | 0 | 0 | 113.2 | Y1603 P1605 S1885 | Y1603-D1887 PolarHBondContact OH-OD1 3.44Å; Y1603-D1887 PolarHBondContact OH-OD2 3.02Å; P1605-D1887 HydrophobicContact CB-CB 3.88Å; P1605-D1887 HydrophobicContact CG-CB 4.07Å; S1885-D1887 PolarHBondContact OG-O 3.04Å; S1885-D1887 VanDerWaalsContact OG-O 3.12Å |
| 1888 | V | 69.1 | Low | 71.7 | Confident | 69 Ų | 69 | 81.3 Ų | 81.3 | 42% | 0.418 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 117.2 | 177.1 | 180 | 0 | 0 | 0 | 0 | 107.4 | K1878 R1879 K1880 | K1878-V1888 HydrophobicContact CB-CG1 3.72Å; R1879-V1888 CarbonylContact O-C 3.53Å; R1879-V1888 WeakPolarHBondContact O-CA 3.45Å; K1880-V1888 HydrophobicContact CG-CG2 4.03Å |
| 1889 | T | 69 | Low | 72.6 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 147.5 | 175.1 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | N1606 K1878 R1879 | N1606-T1889 HydrophobicContact CB-CG2 4.15Å; K1878-T1889 WeakPolarHBondContact CA-O 3.39Å; R1879-T1889 PolarHBondContact N-O 3.09Å; R1879-T1889 PolarHBondContact O-N 3.46Å; R1879-T1889 PolarHBondContact O-OG1 3.41Å |
| 1890 | E | 74.6 | Confident | 73.6 | Confident | 106 Ų | 106 | 73.7 Ų | 73.7 | 50% | 0.495 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.1 | 177.7 | -59.7 | -161 | 164.1 | 0 | 0 | 110.7 | V1876 I1877 K1878 | V1876-E1890 HydrophobicContact CG1-CB 4.35Å; I1877-E1890 WeakPolarHBondContact O-CA 3.24Å; K1878-E1890 WeakPolarHBondContact CE-OE1 3.33Å; K1878-E1890 HydrophobicContact CG-CG 4.24Å; K1878-E1890 IonicContact NZ-OE1 3.77Å; K1878-E1890 PolarHBondContact NZ-OE1 3.34Å |
| 1891 | Q | 75.9 | Confident | 75.2 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.4 | 174.4 | -169.3 | -180 | 5 | 0 | 0 | 110.3 | I1877 V1893 | I1877-Q1891 HydrophobicContact CB-CB 4.46Å; I1877-Q1891 PolarHBondContact N-O 3.3Å; I1877-Q1891 PolarHBondContact O-N 2.94Å; Q1891-V1893 HydrophobicContact CG-CG2 4.03Å |
| 1892 | R | 79.3 | Confident | 76.7 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.5 | 176.9 | -58.1 | -171.3 | -171.9 | 159.6 | 15.2 | 110.3 | E1611 E1872 N1874 I1875 V1876 | E1611-R1892 IonicContact OE1-NH1 2.77Å; E1611-R1892 IonicContact OE2-CZ 3.54Å; E1611-R1892 IonicContact OE2-NH1 2.82Å; E1611-R1892 PolarHBondContact OE2-NH1 2.95Å; E1611-R1892 VanDerWaalsContact OE2-NH1 3.1Å; E1611-R1892 IonicContact OE2-NH2 3.46Å; E1611-R1892 PolarHBondContact OE2-NH2 3.01Å; E1872-R1892 IonicContact OE1-NH1 2.65Å; E1872-R1892 PolarHBondContact OE1-NH1 2.84Å; E1872-R1892 IonicContact OE2-CZ 3.76Å; E1872-R1892 IonicContact OE2-NE 3.34Å; E1872-R1892 IonicContact OE2-NH1 3.54Å; E1872-R1892 PolarHBondContact OE2-NH1 2.93Å; N1874-R1892 HydrophobicContact CB-CB 4.23Å; I1875-R1892 WeakPolarHBondContact O-CA 3.18Å; V1876-R1892 HydrophobicContact CG2-CG 4.46Å |
| 1893 | V | 80.6 | Confident | 78.2 | Confident | 31 Ų | 31 | 63 Ų | 63 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.7 | -178.1 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | A1837 N1874 I1875 I1877 Q1891 | A1837-V1893 HydrophobicContact CB-CG1 4.32Å; N1874-V1893 CarbonylContact C-O 3.54Å; N1874-V1893 WeakPolarHBondContact CA-O 3.36Å; I1875-V1893 PolarHBondContact N-O 3.42Å; I1875-V1893 PolarHBondContact O-N 2.76Å; I1877-V1893 HydrophobicContact CD1-CB 4.14Å; I1877-V1893 HydrophobicContact CD1-CG2 3.64Å; Q1891-V1893 HydrophobicContact CG-CG2 4.03Å |
| 1894 | R | 82.1 | Confident | 79.5 | Confident | 163 Ų | 163 | 55.6 Ų | 55.6 | 62% | 0.615 | 25% | 0.254 | S | S | * | . | trans | -58.7 | 145.2 | 176.1 | -66.1 | 179.7 | -179.8 | -179.3 | -0.3 | 110.7 | Q1896 | R1894-Q1896 PolarHBondContact O-N 2.77Š| ||
| 1895 | P | 85.1 | Confident | 81 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -72.6 | 74.9 | -179.8 | 32.7 | -38.7 | 0 | 0 | 0 | 111.2 | Y1868 N1873 I1875 L1920 F1951 | Y1868-P1895 HydrophobicContact CD2-CB 4.38Å; Y1868-P1895 HydrophobicContact CE2-CB 4.13Å; Y1868-P1895 HydrophobicContact CE2-CG 3.87Å; N1873-P1895 WeakPolarHBondContact O-CD 3.43Å; I1875-P1895 HydrophobicContact CD1-CB 3.88Å; I1875-P1895 HydrophobicContact CG1-CB 3.69Å; P1895-L1920 HydrophobicContact CB-CB 4.15Å; P1895-L1920 HydrophobicContact CB-CD1 4.28Å; P1895-L1920 HydrophobicContact CB-CG 4.47Å; P1895-L1920 WeakPolarHBondContact O-CB 3.44Å; P1895-L1920 VanDerWaalsContact O-CG 3.29Å; P1895-L1920 WeakPolarHBondContact O-CG 3.37Å; P1895-L1920 PolarHBondContact O-N 2.87Å; P1895-F1951 HydrophobicContact CB-CE2 4Å; P1895-F1951 HydrophobicContact CB-CZ 3.95Å; P1895-F1951 HydrophobicContact CG-CE2 3.99Å; P1895-F1951 HydrophobicContact CG-CZ 4.37Å | ||
| 1896 | Q | 89.4 | Confident | 81.8 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 27% | 0.271 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 112.9 | -173.7 | -171.8 | 168.7 | 2.9 | 0 | 0 | 110 | L1836 A1837 R1894 E1917 L1918 | L1836-Q1896 CarbonylContact C-O 3.55Å; L1836-Q1896 WeakPolarHBondContact CA-O 3.35Å; A1837-Q1896 HydrophobicContact CB-CB 3.89Å; A1837-Q1896 WeakPolarHBondContact CB-O 3.48Å; A1837-Q1896 PolarHBondContact N-O 3.34Å; R1894-Q1896 PolarHBondContact O-N 2.77Å; Q1896-E1917 PolarHBondContact NE2-OE2 3.01Å; Q1896-L1918 CarbonylContact C-O 3.25Å; Q1896-L1918 WeakPolarHBondContact CA-O 3.38Å |
| 1897 | L | 93.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122 | 172.3 | 174.3 | 69.9 | 0 | 0 | 0 | 108.9 | L1805 L1807 L1836 F1864 L1899 E1917 L1918 L1920 M1980 | L1805-L1897 HydrophobicContact CD2-CD1 4.08Å; L1805-L1897 HydrophobicContact CD2-CD2 4.32Å; L1807-L1897 HydrophobicContact CD2-CD1 4.32Å; L1807-L1897 HydrophobicContact CD2-CD2 4.11Å; L1836-L1897 HydrophobicContact CD2-CB 3.99Å; L1836-L1897 HydrophobicContact CD2-CD1 4.14Å; F1864-L1897 HydrophobicContact CE2-CD1 4.16Å; L1897-L1899 HydrophobicContact CD1-CG 4.49Å; L1897-L1899 HydrophobicContact CD2-CD1 4.03Å; L1897-L1899 HydrophobicContact CD2-CG 4.4Å; L1897-L1899 HydrophobicContact CG-CD1 4.34Å; L1897-L1899 HydrophobicContact CG-CG 4.18Å; L1897-E1917 WeakPolarHBondContact O-CA 3.44Å; L1897-L1918 HydrophobicContact CB-CB 4.47Å; L1897-L1918 PolarHBondContact N-O 2.82Å; L1897-L1918 PolarHBondContact O-N 2.79Å; L1897-L1920 HydrophobicContact CB-CD2 3.84Å; L1897-L1920 HydrophobicContact CB-CG 4.36Å; L1897-L1920 HydrophobicContact CD2-CD2 4.31Å; L1897-M1980 HydrophobicContact CD2-SD 3.79Å |
| 1898 | V | 93.7 | Very high | 82.7 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.2 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | G1834 W1835 Q1900 E1917 | G1834-V1898 VanDerWaalsContact CA-O 3.3Å; G1834-V1898 WeakPolarHBondContact CA-O 3.39Å; W1835-V1898 HydrophobicContact CD2-CB 4.12Å; W1835-V1898 HydrophobicContact CD2-CG1 4.45Å; W1835-V1898 HydrophobicContact CH2-CB 4.39Å; W1835-V1898 HydrophobicContact CH2-CG1 3.68Å; W1835-V1898 HydrophobicContact CZ2-CB 3.87Å; W1835-V1898 HydrophobicContact CZ2-CG1 3.45Å; W1835-V1898 VanDerWaalsContact CZ2-CG1 3.45Å; W1835-V1898 HydrophobicContact CZ3-CG1 4.25Å; W1835-V1898 PolarHBondContact N-O 3.46Å; W1835-V1898 PolarHBondContact O-N 2.89Å; V1898-Q1900 HydrophobicContact CG1-CG 4.42Å; V1898-E1917 HydrophobicContact CG1-CG 4.33Å; V1898-E1917 HydrophobicContact CG2-CG 4.28Å |
| 1899 | L | 95.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142 | 173.7 | -66.5 | 164.4 | 0 | 0 | 0 | 108.8 | L1807 V1832 K1833 F1862 L1897 T1915 L1916 F1962 I1976 M1978 | L1807-L1899 HydrophobicContact CD2-CD1 4.03Å; L1807-L1899 HydrophobicContact CD2-CD2 3.6Å; L1807-L1899 HydrophobicContact CD2-CG 4.35Å; V1832-L1899 HydrophobicContact CG1-CD2 4.32Å; K1833-L1899 CarbonylContact O-C 3.55Å; K1833-L1899 WeakPolarHBondContact O-CA 3.42Å; F1862-L1899 HydrophobicContact CE2-CD2 4.34Å; L1897-L1899 HydrophobicContact CD1-CG 4.49Å; L1897-L1899 HydrophobicContact CD2-CD1 4.03Å; L1897-L1899 HydrophobicContact CD2-CG 4.4Å; L1897-L1899 HydrophobicContact CG-CD1 4.34Å; L1897-L1899 HydrophobicContact CG-CG 4.18Å; L1899-T1915 CarbonylContact O-C 3.46Å; L1899-T1915 VanDerWaalsContact O-CA 3.27Å; L1899-T1915 WeakPolarHBondContact O-CA 3.31Å; L1899-T1915 PolarHBondContact O-OG1 2.71Å; L1899-T1915 VanDerWaalsContact O-OG1 3.06Å; L1899-L1916 HydrophobicContact CB-CB 4.3Å; L1899-L1916 HydrophobicContact CD1-CD2 4.17Å; L1899-L1916 PolarHBondContact N-O 3.28Å; L1899-L1916 PolarHBondContact O-N 2.86Å; L1899-F1962 HydrophobicContact CB-CE1 3.89Å; L1899-F1962 HydrophobicContact CB-CZ 4.28Å; L1899-I1976 HydrophobicContact CD1-CD1 4.41Å; L1899-M1978 HydrophobicContact CD1-CE 3.77Å; L1899-M1978 HydrophobicContact CD1-SD 3.39Å; L1899-M1978 WeakPolarHBondContact CD1-SD 3.44Å |
| 1900 | Q | 93.9 | Very high | 83.8 | Confident | 35 Ų | 35 | 54 Ų | 54 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.3 | 176.8 | -64.8 | -177.6 | -27.2 | 0 | 0 | 110.4 | V1832 K1833 W1835 V1898 W1902 F1912 G1914 | V1832-Q1900 CarbonylContact C-O 3.51Å; V1832-Q1900 VanDerWaalsContact CA-O 3.31Å; V1832-Q1900 WeakPolarHBondContact CA-O 3.37Å; K1833-Q1900 PolarHBondContact N-O 2.95Å; K1833-Q1900 PolarHBondContact O-N 2.85Å; W1835-Q1900 VanDerWaalsContact CH2-CD 3.41Å; W1835-Q1900 HydrophobicContact CH2-CG 3.95Å; W1835-Q1900 HydrophobicContact CZ3-CG 4.11Å; V1898-Q1900 HydrophobicContact CG1-CG 4.42Å; Q1900-W1902 VanDerWaalsContact OE1-CZ2 3.28Å; Q1900-F1912 HydrophobicContact CB-CE2 4.26Å; Q1900-F1912 HydrophobicContact CG-CE2 4.04Å; Q1900-G1914 CarbonylContact C-O 3.54Å; Q1900-G1914 VanDerWaalsContact CA-O 3.24Å; Q1900-G1914 WeakPolarHBondContact CA-O 3.36Å |
| 1901 | V | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134.6 | 171.7 | 56.3 | 0 | 0 | 0 | 0 | 109 | V1815 I1830 I1913 G1914 F1962 | V1815-V1901 HydrophobicContact CG1-CG2 3.93Å; V1815-V1901 HydrophobicContact CG2-CG2 4.35Å; I1830-V1901 HydrophobicContact CG2-CG2 3.61Å; V1901-I1913 HydrophobicContact CG1-CB 4.01Å; V1901-I1913 HydrophobicContact CG1-CG2 4.13Å; V1901-I1913 HydrophobicContact CG2-CD1 4.36Å; V1901-I1913 WeakPolarHBondContact O-CB 3.29Å; V1901-I1913 PolarHBondContact O-N 2.96Å; V1901-G1914 PolarHBondContact N-O 2.78Å; V1901-G1914 PolarHBondContact O-N 2.82Å; V1901-F1962 HydrophobicContact CB-CD2 3.96Å; V1901-F1962 HydrophobicContact CB-CE2 3.73Å; V1901-F1962 HydrophobicContact CB-CG 4.45Å; V1901-F1962 HydrophobicContact CB-CZ 4.04Å; V1901-F1962 HydrophobicContact CG1-CB 4.11Å; V1901-F1962 HydrophobicContact CG1-CD1 4.12Å; V1901-F1962 HydrophobicContact CG1-CD2 3.53Å; V1901-F1962 HydrophobicContact CG1-CE1 4.41Å; V1901-F1962 HydrophobicContact CG1-CE2 3.84Å; V1901-F1962 HydrophobicContact CG1-CG 3.68Å; V1901-F1962 HydrophobicContact CG1-CZ 4.28Å |
| 1902 | W | 91.6 | Very high | 84.8 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.1 | -172.8 | -69 | 77.3 | 0 | 0 | 0 | 110.1 | I1830 Y1831 K1833 Q1900 D1910 D1911 F1912 | I1830-W1902 WeakPolarHBondContact CA-O 3.24Å; Y1831-W1902 HydrophobicContact CD1-CB 3.94Å; Y1831-W1902 HydrophobicContact CE1-CB 3.39Å; Y1831-W1902 HydrophobicContact CE1-CG 4.38Å; Y1831-W1902 HydrophobicContact CE2-CB 4.25Å; Y1831-W1902 PolarHBondContact N-O 3.12Å; Y1831-W1902 PolarHBondContact O-N 3.34Å; K1833-W1902 HydrophobicContact CD-CG 4.48Å; Q1900-W1902 VanDerWaalsContact OE1-CZ2 3.28Å; W1902-D1910 HydrophobicContact CE3-CB 3.9Å; W1902-D1910 VanDerWaalsContact CE3-O 3.25Å; W1902-D1910 WeakPolarHBondContact CZ3-O 3.45Å; W1902-D1911 CarbonylContact C-O 3.21Å; W1902-D1911 VanDerWaalsContact CA-O 3.29Å; W1902-D1911 WeakPolarHBondContact CA-O 3.33Å; W1902-F1912 HydrophobicContact CD2-CB 4.41Å; W1902-F1912 HydrophobicContact CD2-CD2 4.49Å; W1902-F1912 AromaticContact CE2-CD2 3.96Å; W1902-F1912 HydrophobicContact CE3-CB 4.06Å; W1902-F1912 HydrophobicContact CH2-CB 3.86Å; W1902-F1912 HydrophobicContact CH2-CD2 4.37Å; W1902-F1912 HydrophobicContact CZ2-CB 4.22Å; W1902-F1912 AromaticContact CZ2-CD2 3.9Å; W1902-F1912 HydrophobicContact CZ2-CD2 3.9Å; W1902-F1912 HydrophobicContact CZ2-CG 4.5Å; W1902-F1912 HydrophobicContact CZ3-CB 3.77Å |
| 1903 | D | 89.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132.2 | 163.8 | -150.7 | -19.1 | 0 | 0 | 0 | 108.5 | S1828 D1829 D1910 D1911 I1913 | S1828-D1903 WeakPolarHBondContact CA-OD1 3.38Å; S1828-D1903 WeakPolarHBondContact CA-OD2 3.41Å; S1828-D1903 WeakPolarHBondContact CB-OD2 3.3Å; S1828-D1903 PolarHBondContact OG-OD2 3.32Å; D1829-D1903 WeakPolarHBondContact CA-OD1 3.41Å; D1829-D1903 PolarHBondContact N-OD1 3.03Å; D1903-D1910 CarbonylContact O-C 3.43Å; D1903-D1910 VanDerWaalsContact O-CA 3.25Å; D1903-D1910 WeakPolarHBondContact O-CA 3.31Å; D1903-D1910 WeakPolarHBondContact O-CB 3.45Å; D1903-D1911 HydrophobicContact CB-CB 4.04Å; D1903-D1911 PolarHBondContact N-O 2.73Å; D1903-D1911 PolarHBondContact O-N 2.98Å; D1903-I1913 HydrophobicContact CB-CD1 4.01Å; D1903-I1913 HydrophobicContact CB-CG1 4.38Å |
| 1904 | N | 83.4 | Confident | 85.6 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | trans | -92 | 112.5 | 179.1 | 178.5 | -125.1 | 0 | 0 | 0 | 111 | D1829 Y1831 V1847 D1910 | D1829-N1904 HydrophobicContact CB-CB 3.93Å; D1829-N1904 WeakPolarHBondContact CB-O 3.31Å; D1829-N1904 WeakPolarHBondContact O-CB 3.22Å; D1829-N1904 PolarHBondContact O-N 3.05Å; Y1831-N1904 HydrophobicContact CD1-CB 3.82Å; Y1831-N1904 HydrophobicContact CE1-CB 3.85Å; V1847-N1904 HydrophobicContact CG1-CB 3.77Å; V1847-N1904 HydrophobicContact CG2-CB 4.04Å; N1904-D1910 WeakPolarHBondContact CA-OD1 3.26Å; N1904-D1910 PolarHBondContact ND2-OD1 3.07Å | ||
| 1905 | D | 82 | Confident | 86.1 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | trans | -98.8 | 128.2 | -179.7 | -77.7 | -79.9 | 0 | 0 | 0 | 110.9 | S1908 D1910 D1911 | D1905-S1908 WeakPolarHBondContact CB-O 3.16Å; D1905-S1908 WeakPolarHBondContact CB-OG 3.34Å; D1905-S1908 PolarHBondContact OD1-OG 3.2Å; D1905-D1910 PolarHBondContact N-OD1 2.8Å; D1905-D1911 PolarHBondContact OD2-N 2.8Å; D1905-D1911 VanDerWaalsContact OD2-N 3.13Å | ||
| 1906 | L | 69.7 | Low | 86.5 | Confident | 77 Ų | 77 | 39.1 Ų | 39.1 | 40% | 0.403 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -74.7 | -30.9 | -175.3 | -171.6 | 63.3 | 0 | 0 | 0 | 113.2 | L2017 | L1906-L2017 HydrophobicContact CD1-CD1 4.35Å; L1906-L2017 HydrophobicContact CD1-CD2 4Å; L1906-L2017 HydrophobicContact CD2-CD2 4.33Å |
| 1907 | F | 72.6 | Confident | 86.6 | Confident | 178 Ų | 178 | 41.4 Ų | 41.4 | 78% | 0.781 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -127.6 | -3.7 | -173.2 | -58.8 | -68.8 | 0 | 0 | 0 | 114 | ||
| 1908 | S | 72.7 | Confident | 86.4 | Confident | 64 Ų | 64 | 41.4 Ų | 41.4 | 45% | 0.448 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -118.5 | 163.6 | 174 | 17 | 0 | 0 | 0 | 0 | 109.4 | D1905 D1910 | D1905-S1908 WeakPolarHBondContact CB-O 3.16Å; D1905-S1908 WeakPolarHBondContact CB-OG 3.34Å; D1905-S1908 PolarHBondContact OD1-OG 3.2Å; S1908-D1910 PolarHBondContact O-N 3Å |
| 1909 | P | 77.3 | Confident | 86.1 | Confident | 114 Ų | 114 | 42.9 Ų | 42.9 | 74% | 0.74 | 22% | 0.223 | S | C | * | . | P | Polyproline II helix | trans | -55.7 | 135 | 162.1 | -17.6 | 31.1 | 0 | 0 | 0 | 109.3 | D1911 | P1909-D1911 PolarHBondContact O-N 2.85Š|
| 1910 | D | 83.3 | Confident | 85.7 | Confident | 37 Ų | 37 | 42.9 Ų | 42.9 | 20% | 0.198 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -50.7 | 133.7 | 174.2 | -66.4 | -22.4 | 0 | 0 | 0 | 111.4 | Y1831 W1902 D1903 N1904 D1905 S1908 | Y1831-D1910 HydrophobicContact CE1-CB 4.37Å; Y1831-D1910 PolarHBondContact OH-OD2 2.85Å; W1902-D1910 HydrophobicContact CE3-CB 3.9Å; W1902-D1910 VanDerWaalsContact CE3-O 3.25Å; W1902-D1910 WeakPolarHBondContact CZ3-O 3.45Å; D1903-D1910 CarbonylContact O-C 3.43Å; D1903-D1910 VanDerWaalsContact O-CA 3.25Å; D1903-D1910 WeakPolarHBondContact O-CA 3.31Å; D1903-D1910 WeakPolarHBondContact O-CB 3.45Å; N1904-D1910 WeakPolarHBondContact CA-OD1 3.26Å; N1904-D1910 PolarHBondContact ND2-OD1 3.07Å; D1905-D1910 PolarHBondContact N-OD1 2.8Å; S1908-D1910 PolarHBondContact O-N 3Å |
| 1911 | D | 84.9 | Confident | 85.1 | Confident | 77 Ų | 77 | 41.6 Ų | 41.6 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -78.7 | 134.4 | 178.3 | -74.6 | -28.2 | 0 | 0 | 0 | 112.7 | W1902 D1903 D1905 P1909 | W1902-D1911 CarbonylContact C-O 3.21Å; W1902-D1911 VanDerWaalsContact CA-O 3.29Å; W1902-D1911 WeakPolarHBondContact CA-O 3.33Å; D1903-D1911 HydrophobicContact CB-CB 4.04Å; D1903-D1911 PolarHBondContact N-O 2.73Å; D1903-D1911 PolarHBondContact O-N 2.98Å; D1905-D1911 PolarHBondContact OD2-N 2.8Å; D1905-D1911 VanDerWaalsContact OD2-N 3.13Å; P1909-D1911 PolarHBondContact O-N 2.85Å |
| 1912 | F | 88.2 | Confident | 84.6 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.2 | 176.2 | 170.1 | -104.8 | 0 | 0 | 0 | 110.6 | Q1900 W1902 G1914 T1915 N1964 | Q1900-F1912 HydrophobicContact CB-CE2 4.26Å; Q1900-F1912 HydrophobicContact CG-CE2 4.04Å; W1902-F1912 HydrophobicContact CD2-CB 4.41Å; W1902-F1912 HydrophobicContact CD2-CD2 4.49Å; W1902-F1912 AromaticContact CE2-CD2 3.96Å; W1902-F1912 HydrophobicContact CE3-CB 4.06Å; W1902-F1912 HydrophobicContact CH2-CB 3.86Å; W1902-F1912 HydrophobicContact CH2-CD2 4.37Å; W1902-F1912 HydrophobicContact CZ2-CB 4.22Å; W1902-F1912 AromaticContact CZ2-CD2 3.9Å; W1902-F1912 HydrophobicContact CZ2-CD2 3.9Å; W1902-F1912 HydrophobicContact CZ2-CG 4.5Å; W1902-F1912 HydrophobicContact CZ3-CB 3.77Å; F1912-G1914 VanDerWaalsContact CE2-O 3.29Å; F1912-G1914 WeakPolarHBondContact CE2-O 3.17Å; F1912-T1915 HydrophobicContact CZ-CG2 4.14Å; F1912-N1964 HydrophobicContact CE1-CB 4.46Å |
| 1913 | I | 85.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -42.6 | -178.7 | -58.3 | 170.9 | 0 | 0 | 0 | 111 | V1815 V1816 V1901 D1903 T1973 | V1815-I1913 HydrophobicContact CG1-CD1 3.8Å; V1815-I1913 HydrophobicContact CG1-CG2 3.89Å; V1816-I1913 HydrophobicContact CB-CG2 4.21Å; V1901-I1913 HydrophobicContact CG1-CB 4.01Å; V1901-I1913 HydrophobicContact CG1-CG2 4.13Å; V1901-I1913 HydrophobicContact CG2-CD1 4.36Å; V1901-I1913 WeakPolarHBondContact O-CB 3.29Å; V1901-I1913 PolarHBondContact O-N 2.96Å; D1903-I1913 HydrophobicContact CB-CD1 4.01Å; D1903-I1913 HydrophobicContact CB-CG1 4.38Å; I1913-T1973 WeakPolarHBondContact O-CB 2.87Å; I1913-T1973 WeakPolarHBondContact O-CG2 3.23Å; I1913-T1973 PolarHBondContact O-OG1 2.79Å |
| 1914 | G | 89.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | 164.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1900 V1901 F1912 V1963 T1973 | Q1900-G1914 CarbonylContact C-O 3.54Å; Q1900-G1914 VanDerWaalsContact CA-O 3.24Å; Q1900-G1914 WeakPolarHBondContact CA-O 3.36Å; V1901-G1914 PolarHBondContact N-O 2.78Å; V1901-G1914 PolarHBondContact O-N 2.82Å; F1912-G1914 VanDerWaalsContact CE2-O 3.29Å; F1912-G1914 WeakPolarHBondContact CE2-O 3.17Å; G1914-V1963 WeakPolarHBondContact CA-O 3.41Å; G1914-T1973 WeakPolarHBondContact CA-OG1 3.41Å |
| 1915 | T | 93.8 | Very high | 84.2 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 19% | 0.19 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.1 | -178.6 | -165.7 | 0 | 0 | 0 | 0 | 112.7 | L1899 F1912 V1963 | L1899-T1915 CarbonylContact O-C 3.46Å; L1899-T1915 VanDerWaalsContact O-CA 3.27Å; L1899-T1915 WeakPolarHBondContact O-CA 3.31Å; L1899-T1915 PolarHBondContact O-OG1 2.71Å; L1899-T1915 VanDerWaalsContact O-OG1 3.06Å; F1912-T1915 HydrophobicContact CZ-CG2 4.14Å; T1915-V1963 PolarHBondContact N-O 3.15Å; T1915-V1963 PolarHBondContact O-N 2.83Å |
| 1916 | L | 93.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 117.3 | 176.1 | 167 | 61.8 | 0 | 0 | 0 | 107 | L1899 L1918 L1938 W1960 F1962 I1976 M1978 | L1899-L1916 HydrophobicContact CB-CB 4.3Å; L1899-L1916 HydrophobicContact CD1-CD2 4.17Å; L1899-L1916 PolarHBondContact N-O 3.28Å; L1899-L1916 PolarHBondContact O-N 2.86Å; L1916-L1918 HydrophobicContact CD1-CD1 4.24Å; L1916-L1918 HydrophobicContact CD1-CD2 3.78Å; L1916-L1918 HydrophobicContact CD1-CG 3.8Å; L1916-L1918 HydrophobicContact CD2-CD1 3.95Å; L1916-L1918 HydrophobicContact CD2-CG 4.38Å; L1916-L1918 HydrophobicContact CG-CD1 4.05Å; L1916-L1918 HydrophobicContact CG-CD2 4.45Å; L1916-L1918 HydrophobicContact CG-CG 3.93Å; L1916-L1938 HydrophobicContact CD1-CD1 4.41Å; L1916-L1938 HydrophobicContact CD1-CD2 3.87Å; L1916-W1960 HydrophobicContact CD1-CB 4.3Å; L1916-W1960 HydrophobicContact CD2-CB 3.48Å; L1916-W1960 VanDerWaalsContact CD2-CB 3.48Å; L1916-W1960 HydrophobicContact CD2-CG 4.23Å; L1916-F1962 HydrophobicContact CB-CD1 3.54Å; L1916-F1962 HydrophobicContact CB-CE1 3.66Å; L1916-I1976 HydrophobicContact CD2-CG2 3.73Å; L1916-M1978 HydrophobicContact CD2-CE 4.07Å |
| 1917 | E | 90.6 | Very high | 85.4 | Confident | 105 Ų | 105 | 41.9 Ų | 41.9 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.9 | 176.4 | -60 | -170.3 | 176 | 0 | 0 | 109.8 | Q1896 L1897 V1898 | Q1896-E1917 PolarHBondContact NE2-OE2 3.01Å; L1897-E1917 WeakPolarHBondContact O-CA 3.44Å; V1898-E1917 HydrophobicContact CG1-CG 4.33Å; V1898-E1917 HydrophobicContact CG2-CG 4.28Å |
| 1918 | L | 90.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.3 | -176.4 | -66.5 | 171.8 | 0 | 0 | 0 | 110 | Q1896 L1897 L1916 L1920 M1923 P1924 W1960 M1978 | Q1896-L1918 CarbonylContact C-O 3.25Å; Q1896-L1918 WeakPolarHBondContact CA-O 3.38Å; L1897-L1918 HydrophobicContact CB-CB 4.47Å; L1897-L1918 PolarHBondContact N-O 2.82Å; L1897-L1918 PolarHBondContact O-N 2.79Å; L1916-L1918 HydrophobicContact CD1-CD1 4.24Å; L1916-L1918 HydrophobicContact CD1-CD2 3.78Å; L1916-L1918 HydrophobicContact CD1-CG 3.8Å; L1916-L1918 HydrophobicContact CD2-CD1 3.95Å; L1916-L1918 HydrophobicContact CD2-CG 4.38Å; L1916-L1918 HydrophobicContact CG-CD1 4.05Å; L1916-L1918 HydrophobicContact CG-CD2 4.45Å; L1916-L1918 HydrophobicContact CG-CG 3.93Å; L1918-L1920 PolarHBondContact O-N 2.73Å; L1918-M1923 HydrophobicContact CB-CB 4.4Å; L1918-M1923 HydrophobicContact CB-CE 4.27Å; L1918-M1923 HydrophobicContact CD1-CE 3.75Å; L1918-M1923 HydrophobicContact CD2-CB 4.19Å; L1918-M1923 HydrophobicContact CD2-CE 4.29Å; L1918-M1923 HydrophobicContact CG-CE 4.34Å; L1918-P1924 HydrophobicContact CD2-CG 4.12Å; L1918-W1960 HydrophobicContact CD1-CG 4.37Å; L1918-M1978 HydrophobicContact CD1-CE 3.48Å; L1918-M1978 VanDerWaalsContact CD1-CE 3.48Å |
| 1919 | N | 87.5 | Confident | 86.8 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 107.4 | 167.5 | -176 | -5.7 | 0 | 0 | 0 | 109.1 | S1921 N1922 M1923 | N1919-S1921 PolarHBondContact O-N 2.7Å; N1919-S1921 PolarHBondContact OD1-N 2.75Å; N1919-S1921 PolarHBondContact OD1-OG 2.81Å; N1919-N1922 CarbonylContact O-C 3.07Å; N1919-N1922 PolarHBondContact O-N 2.87Å; N1919-M1923 VanDerWaalsContact O-CB 3.24Å; N1919-M1923 WeakPolarHBondContact O-CB 3.19Å; N1919-M1923 PolarHBondContact O-N 3.34Å; N1919-M1923 VanDerWaalsContact O-N 3.11Å |
| 1920 | L | 86.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -26.1 | -172.8 | -62.1 | -179.3 | 0 | 0 | 0 | 113.5 | L1805 L1836 F1866 P1895 L1897 L1918 M1923 L1950 F1951 | L1805-L1920 HydrophobicContact CD2-CD1 4.03Å; L1805-L1920 HydrophobicContact CD2-CD2 4.26Å; L1836-L1920 HydrophobicContact CD2-CD1 3.78Å; F1866-L1920 HydrophobicContact CZ-CD1 4.41Å; P1895-L1920 HydrophobicContact CB-CB 4.15Å; P1895-L1920 HydrophobicContact CB-CD1 4.28Å; P1895-L1920 HydrophobicContact CB-CG 4.47Å; P1895-L1920 WeakPolarHBondContact O-CB 3.44Å; P1895-L1920 VanDerWaalsContact O-CG 3.29Å; P1895-L1920 WeakPolarHBondContact O-CG 3.37Å; P1895-L1920 PolarHBondContact O-N 2.87Å; L1897-L1920 HydrophobicContact CB-CD2 3.84Å; L1897-L1920 HydrophobicContact CB-CG 4.36Å; L1897-L1920 HydrophobicContact CD2-CD2 4.31Å; L1918-L1920 PolarHBondContact O-N 2.73Å; L1920-M1923 HydrophobicContact CD2-SD 4.43Å; L1920-L1950 HydrophobicContact CB-CB 4.48Å; L1920-L1950 HydrophobicContact CD2-CD2 3.89Å; L1920-L1950 VanDerWaalsContact O-CB 3.24Å; L1920-L1950 WeakPolarHBondContact O-CB 3.37Å; L1920-L1950 PolarHBondContact O-N 3.39Å; L1920-F1951 HydrophobicContact CB-CE2 3.75Å; L1920-F1951 HydrophobicContact CB-CZ 4.3Å; L1920-F1951 HydrophobicContact CD1-CZ 4.42Å |
| 1921 | S | 80.6 | Confident | 87 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -15.7 | 175.8 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | N1873 N1919 N1949 | N1873-S1921 PolarHBondContact ND2-OG 2.79Å; N1873-S1921 WeakPolarHBondContact OD1-CB 3.49Å; N1873-S1921 PolarHBondContact OD1-OG 3.23Å; N1919-S1921 PolarHBondContact O-N 2.7Å; N1919-S1921 PolarHBondContact OD1-N 2.75Å; N1919-S1921 PolarHBondContact OD1-OG 2.81Å; S1921-N1949 WeakPolarHBondContact O-CA 3.24Å; S1921-N1949 VanDerWaalsContact O-CB 3.22Å; S1921-N1949 WeakPolarHBondContact O-CB 3.41Å; S1921-N1949 VanDerWaalsContact O-CG 3.27Å |
| 1922 | N | 83.2 | Confident | 87.1 | Confident | 85 Ų | 85 | 46.8 Ų | 46.8 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -151.2 | 71.8 | -178.5 | -163.2 | 20.5 | 0 | 0 | 0 | 111.3 | N1919 L1947 | N1919-N1922 CarbonylContact O-C 3.07Å; N1919-N1922 PolarHBondContact O-N 2.87Å; N1922-L1947 WeakPolarHBondContact OD1-CB 3.45Å; N1922-L1947 WeakPolarHBondContact OD1-CD1 3.32Å |
| 1923 | M | 85.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 150.3 | -175 | 52.8 | -171.6 | -63.3 | 0 | 0 | 112.2 | L1918 N1919 L1920 S1925 L1947 V1948 L1950 L1956 W1960 M1980 | L1918-M1923 HydrophobicContact CB-CB 4.4Å; L1918-M1923 HydrophobicContact CB-CE 4.27Å; L1918-M1923 HydrophobicContact CD1-CE 3.75Å; L1918-M1923 HydrophobicContact CD2-CB 4.19Å; L1918-M1923 HydrophobicContact CD2-CE 4.29Å; L1918-M1923 HydrophobicContact CG-CE 4.34Å; N1919-M1923 VanDerWaalsContact O-CB 3.24Å; N1919-M1923 WeakPolarHBondContact O-CB 3.19Å; N1919-M1923 PolarHBondContact O-N 3.34Å; N1919-M1923 VanDerWaalsContact O-N 3.11Å; L1920-M1923 HydrophobicContact CD2-SD 4.43Å; M1923-S1925 PolarHBondContact O-N 3.29Å; M1923-L1947 CarbonylContact O-C 3.52Å; M1923-L1947 VanDerWaalsContact O-CA 3.31Å; M1923-L1947 WeakPolarHBondContact O-CA 3.31Å; M1923-V1948 HydrophobicContact CG-CG2 4.17Å; M1923-V1948 VanDerWaalsContact CG-O 3.27Å; M1923-V1948 WeakPolarHBondContact CG-O 3.46Å; M1923-V1948 PolarHBondContact N-O 2.86Å; M1923-V1948 VanDerWaalsContact O-CG2 3.27Å; M1923-V1948 WeakPolarHBondContact O-CG2 3.38Å; M1923-V1948 PolarHBondContact O-N 3.19Å; M1923-L1950 HydrophobicContact SD-CB 4.24Å; M1923-L1956 HydrophobicContact CE-CD1 4.32Å; M1923-L1956 HydrophobicContact SD-CD1 4.14Å; M1923-W1960 HydrophobicContact CE-CZ2 3.7Å; M1923-M1980 HydrophobicContact CE-CE 3.27Å; M1923-M1980 HydrophobicContact CE-SD 3.98Å; M1923-M1980 HydrophobicContact SD-CE 4.38Å |
| 1924 | P | 84.9 | Confident | 87.1 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 136.4 | 174.2 | 23.8 | -31.2 | 0 | 0 | 0 | 111.5 | L1918 M1937 L1938 T1945 L1947 W1960 | L1918-P1924 HydrophobicContact CD2-CG 4.12Å; P1924-M1937 WeakPolarHBondContact CB-O 3.46Å; P1924-M1937 WeakPolarHBondContact CG-O 3.34Å; P1924-L1938 HydrophobicContact CG-CD2 4.02Å; P1924-T1945 HydrophobicContact CB-CG2 4.41Å; P1924-L1947 HydrophobicContact CB-CD2 4.5Å; P1924-W1960 PolarHBondContact O-NE1 3.02Å |
| 1925 | S | 84.9 | Confident | 86.8 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 135.9 | 178.8 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | M1923 M1937 K1946 | M1923-S1925 PolarHBondContact O-N 3.29Å; S1925-M1937 WeakPolarHBondContact O-CE 3.39Å; S1925-K1946 WeakPolarHBondContact CB-O 3.34Å; S1925-K1946 PolarHBondContact N-O 3.49Å; S1925-K1946 PolarHBondContact OG-O 3.13Å |
| 1926 | P | 89.5 | Confident | 86.2 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 145.5 | 179.4 | 15.8 | -22.7 | 0 | 0 | 0 | 111.9 | L1956 N1957 W1960 | P1926-L1956 HydrophobicContact CG-CB 4.4Å; P1926-L1956 HydrophobicContact CG-CD2 4.31Å; P1926-N1957 WeakPolarHBondContact CG-O 3.17Å; P1926-W1960 HydrophobicContact CB-CD2 4.14Å; P1926-W1960 HydrophobicContact CB-CE3 4.14Å; P1926-W1960 HydrophobicContact CB-CH2 3.4Å; P1926-W1960 HydrophobicContact CB-CZ2 3.35Å; P1926-W1960 HydrophobicContact CB-CZ3 3.79Å; P1926-W1960 HydrophobicContact CG-CH2 3.55Å; P1926-W1960 HydrophobicContact CG-CZ2 3.48Å; P1926-W1960 VanDerWaalsContact CG-CZ2 3.48Å; P1926-W1960 HydrophobicContact CG-CZ3 4.39Å |
| 1927 | S | 88.9 | Confident | 85.6 | Confident | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 135.4 | 166.1 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | T1929 K1932 C1933 G1958 F1959 | S1927-T1929 VanDerWaalsContact C-N 3.27Å; S1927-T1929 PolarHBondContact O-N 3.45Å; S1927-T1929 PolarHBondContact OG-N 2.74Å; S1927-T1929 PolarHBondContact OG-O 3.1Å; S1927-K1932 WeakPolarHBondContact OG-CB 3.29Å; S1927-C1933 PolarHBondContact OG-N 3.01Å; S1927-G1958 WeakPolarHBondContact O-CA 3.39Å; S1927-F1959 PolarHBondContact N-O 3.36Å; S1927-F1959 WeakPolarHBondContact O-CD2 3.16Å; S1927-F1959 PolarHBondContact O-N 3.2Å |
| 1928 | K | 86.7 | Confident | 85 | Confident | 190 Ų | 190 | 49.8 Ų | 49.8 | 83% | 0.826 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -75 | -14.9 | 176.2 | -65.5 | -163.8 | 176.4 | -170.4 | 0 | 114 | ||
| 1929 | T | 86.9 | Confident | 83.8 | Confident | 71 Ų | 71 | 53.7 Ų | 53.7 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -140.7 | 137.1 | -175.7 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | S1927 G1931 K1932 | S1927-T1929 VanDerWaalsContact C-N 3.27Å; S1927-T1929 PolarHBondContact O-N 3.45Å; S1927-T1929 PolarHBondContact OG-N 2.74Å; S1927-T1929 PolarHBondContact OG-O 3.1Å; T1929-G1931 PolarHBondContact O-N 3.33Å; T1929-G1931 VanDerWaalsContact O-N 3.1Å; T1929-K1932 PolarHBondContact O-N 2.77Å |
| 1930 | R | 84.7 | Confident | 82.2 | Confident | 75 Ų | 75 | 57 Ų | 57 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -46.1 | -41.7 | 177.3 | 176.2 | -177.2 | 170.9 | 177.1 | 3.2 | 114.3 | F1813 D1814 E1855 K1932 C1933 F1959 K1975 | F1813-R1930 HydrophobicContact CB-CG 4.38Å; D1814-R1930 IonicContact OD1-CZ 2.77Å; D1814-R1930 IonicContact OD1-NE 2.81Å; D1814-R1930 IonicContact OD1-NH2 3.28Å; D1814-R1930 PolarHBondContact OD1-NH2 2.8Å; D1814-R1930 IonicContact OD2-CZ 2.79Å; D1814-R1930 IonicContact OD2-NE 2.83Å; D1814-R1930 PolarHBondContact OD2-NE 3.43Å; D1814-R1930 VanDerWaalsContact OD2-NE 3.07Å; D1814-R1930 IonicContact OD2-NH2 3.76Å; E1855-R1930 IonicContact OE1-CZ 2.74Å; E1855-R1930 IonicContact OE1-NH1 3.44Å; E1855-R1930 PolarHBondContact OE1-NH1 2.84Å; E1855-R1930 IonicContact OE1-NH2 3.08Å; R1930-K1932 VanDerWaalsContact C-N 3.26Å; R1930-K1932 PolarHBondContact O-N 3.05Å; R1930-C1933 WeakPolarHBondContact O-CB 3.12Å; R1930-C1933 PolarHBondContact O-N 2.81Å; R1930-F1959 HydrophobicContact CB-CD1 4.2Å; R1930-F1959 HydrophobicContact CB-CE1 3.95Å; R1930-F1959 HydrophobicContact CB-CZ 4.29Å; R1930-K1975 HydrophobicContact CG-CD 4.14Å; R1930-K1975 PolarHBondContact O-NZ 3.25Å |
| 1931 | G | 81.5 | Confident | 80.2 | Confident | 74 Ų | 74 | 63 Ų | 63 | 76% | 0.763 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -67 | -21.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | T1929 | T1929-G1931 PolarHBondContact O-N 3.33Å; T1929-G1931 VanDerWaalsContact O-N 3.1Å |
| 1932 | K | 85.6 | Confident | 78.8 | Confident | 163 Ų | 163 | 66.4 Ų | 66.4 | 71% | 0.709 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -96.6 | -7.5 | 176.8 | -68 | -175.4 | 179.1 | -174.6 | 0 | 113.3 | S1927 T1929 R1930 S1934 | S1927-K1932 WeakPolarHBondContact OG-CB 3.29Å; T1929-K1932 PolarHBondContact O-N 2.77Å; R1930-K1932 VanDerWaalsContact C-N 3.26Å; R1930-K1932 PolarHBondContact O-N 3.05Å; K1932-S1934 PolarHBondContact O-N 3Å |
| 1933 | C | 88.8 | Confident | 77.2 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.02 | 39% | 0.391 | C | S | . | . | trans | -76.1 | 112.9 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | S1927 R1930 M1937 F1959 P1961 K1975 | S1927-C1933 PolarHBondContact OG-N 3.01Å; R1930-C1933 WeakPolarHBondContact O-CB 3.12Å; R1930-C1933 PolarHBondContact O-N 2.81Å; C1933-M1937 HydrophobicContact CB-SD 4.39Å; C1933-F1959 HydrophobicContact CB-CB 3.78Å; C1933-P1961 VanDerWaalsContact SG-N 3.35Å; C1933-K1975 HydrophobicContact CB-CD 4.01Å; C1933-K1975 HydrophobicContact CB-CG 4.41Å; C1933-K1975 WeakPolarHBondContact O-CE 3.45Å | ||
| 1934 | S | 86.1 | Confident | 75.8 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | trans | -145.2 | 162.4 | -175.4 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | K1932 N1936 M1937 | K1932-S1934 PolarHBondContact O-N 3Å; S1934-N1936 PolarHBondContact O-N 2.97Å; S1934-N1936 VanDerWaalsContact O-N 3.12Å; S1934-M1937 WeakPolarHBondContact O-CB 3.46Å; S1934-M1937 WeakPolarHBondContact O-CG 3.38Å; S1934-M1937 PolarHBondContact O-N 3.47Å | ||
| 1935 | L | 83.2 | Confident | 74.8 | Confident | 28 Ų | 28 | 77.3 Ų | 77.3 | 15% | 0.147 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -57 | -28.4 | -177.7 | -152.6 | 109.2 | 0 | 0 | 0 | 113.3 | M1937 L1938 V1963 P1970 L1972 | L1935-M1937 PolarHBondContact O-N 2.8Å; L1935-L1938 PolarHBondContact O-N 2.88Å; L1935-V1963 HydrophobicContact CD1-CB 4.47Å; L1935-V1963 HydrophobicContact CD1-CG1 4.23Å; L1935-V1963 HydrophobicContact CD1-CG2 3.59Å; L1935-V1963 HydrophobicContact CG-CG2 4.22Å; L1935-P1970 HydrophobicContact CD2-CB 3.98Å; L1935-P1970 HydrophobicContact CD2-CG 3.96Å; L1935-P1970 WeakPolarHBondContact CD2-O 3.25Å; L1935-L1972 HydrophobicContact CD1-CB 3.8Å; L1935-L1972 VanDerWaalsContact CD1-N 3.33Å |
| 1936 | N | 80.4 | Confident | 74.2 | Confident | 90 Ų | 90 | 82.6 Ų | 82.6 | 48% | 0.481 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -57.7 | -20.3 | 177 | -65.7 | 3.4 | 0 | 0 | 0 | 113.4 | S1934 L1938 | S1934-N1936 PolarHBondContact O-N 2.97Å; S1934-N1936 VanDerWaalsContact O-N 3.12Å; N1936-L1938 VanDerWaalsContact C-N 3.27Å; N1936-L1938 PolarHBondContact O-N 3.31Å |
| 1937 | M | 81.6 | Confident | 73.7 | Confident | 23 Ų | 23 | 85.8 Ų | 85.8 | 11% | 0.113 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -68.2 | -24.1 | 176.1 | -65.7 | 176.4 | 61.9 | 0 | 0 | 113.4 | P1924 S1925 C1933 S1934 L1935 T1945 P1961 | P1924-M1937 WeakPolarHBondContact CB-O 3.46Å; P1924-M1937 WeakPolarHBondContact CG-O 3.34Å; S1925-M1937 WeakPolarHBondContact O-CE 3.39Å; C1933-M1937 HydrophobicContact CB-SD 4.39Å; S1934-M1937 WeakPolarHBondContact O-CB 3.46Å; S1934-M1937 WeakPolarHBondContact O-CG 3.38Å; S1934-M1937 PolarHBondContact O-N 3.47Å; L1935-M1937 PolarHBondContact O-N 2.8Å; M1937-T1945 WeakPolarHBondContact O-CG2 3.33Å; M1937-P1961 HydrophobicContact CB-CG 4.44Å |
| 1938 | L | 76.6 | Confident | 73.4 | Confident | 59 Ų | 59 | 86.4 Ų | 86.4 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -15.9 | -177.9 | -63.9 | 174 | 0 | 0 | 0 | 112.8 | L1916 P1924 L1935 N1936 S1940 P1961 V1963 | L1916-L1938 HydrophobicContact CD1-CD1 4.41Å; L1916-L1938 HydrophobicContact CD1-CD2 3.87Å; P1924-L1938 HydrophobicContact CG-CD2 4.02Å; L1935-L1938 PolarHBondContact O-N 2.88Å; N1936-L1938 VanDerWaalsContact C-N 3.27Å; N1936-L1938 PolarHBondContact O-N 3.31Å; L1938-S1940 PolarHBondContact O-N 2.97Å; L1938-P1961 HydrophobicContact CD1-CG 3.76Å; L1938-P1961 HydrophobicContact CG-CG 3.84Å; L1938-V1963 HydrophobicContact CD1-CG2 3.4Å; L1938-V1963 VanDerWaalsContact CD1-CG2 3.4Å |
| 1939 | Q | 66 | Low | 73.2 | Confident | 84 Ų | 84 | 79 Ų | 79 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | trans | -79.7 | 111.6 | 179.3 | -69.4 | 179.4 | -12 | 0 | 0 | 109.9 | V1941 T1945 | Q1939-V1941 VanDerWaalsContact C-N 3.28Å; Q1939-T1945 PolarHBondContact O-OG1 2.64Å | ||
| 1940 | S | 54.1 | Low | 73.1 | Confident | 109 Ų | 109 | 75.6 Ų | 75.6 | 76% | 0.762 | 43% | 0.428 | S | S | * | . | trans | -76.1 | -15 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | L1938 G1942 | L1938-S1940 PolarHBondContact O-N 2.97Å; S1940-G1942 PolarHBondContact O-N 2.78Å | ||
| 1941 | V | 45.7 | Very low | 73 | Confident | 128 Ų | 128 | 73 Ų | 73 | 78% | 0.776 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -88.8 | 104.8 | -171.9 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | Q1939 N1943 | Q1939-V1941 VanDerWaalsContact C-N 3.28Å; V1941-N1943 PolarHBondContact O-N 3.18Å |
| 1942 | G | 49.7 | Very low | 72.9 | Confident | 79 Ų | 79 | 76.8 Ų | 76.8 | 81% | 0.814 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 88.2 | -6.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | S1940 | S1940-G1942 PolarHBondContact O-N 2.78Š|
| 1943 | N | 49.4 | Very low | 72.8 | Confident | 85 Ų | 85 | 72 Ų | 72 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -103.3 | 143.2 | 175.3 | -77.6 | -30.8 | 0 | 0 | 0 | 111.4 | V1941 T1945 | V1941-N1943 PolarHBondContact O-N 3.18Å; N1943-T1945 PolarHBondContact O-N 2.83Å; N1943-T1945 PolarHBondContact O-OG1 2.64Å |
| 1944 | E | 56 | Low | 72.6 | Confident | 204 Ų | 204 | 75.9 Ų | 75.9 | 95% | 0.953 | 42% | 0.417 | S | S | * | . | trans | -70.2 | 48.8 | 172.9 | -66 | -176.7 | 160.3 | 0 | 0 | 112 | K1946 | E1944-K1946 PolarHBondContact O-N 3.35Å; E1944-K1946 VanDerWaalsContact O-N 3.09Å | ||
| 1945 | T | 64.5 | Low | 72.7 | Confident | 38 Ų | 38 | 80.1 Ų | 80.1 | 23% | 0.233 | 43% | 0.426 | C | S | . | . | trans | -71.6 | 107.4 | -178.8 | -23.7 | 0 | 0 | 0 | 0 | 108.3 | P1924 M1937 Q1939 N1943 L1947 | P1924-T1945 HydrophobicContact CB-CG2 4.41Å; M1937-T1945 WeakPolarHBondContact O-CG2 3.33Å; Q1939-T1945 PolarHBondContact O-OG1 2.64Å; N1943-T1945 PolarHBondContact O-N 2.83Å; N1943-T1945 PolarHBondContact O-OG1 2.64Å; T1945-L1947 PolarHBondContact O-N 3.24Å; T1945-L1947 VanDerWaalsContact O-N 3.11Å | ||
| 1946 | K | 71.7 | Confident | 73.1 | Confident | 153 Ų | 153 | 79.9 Ų | 79.9 | 67% | 0.665 | 43% | 0.425 | S | S | * | . | trans | -64 | 113.2 | -179.3 | -173.6 | 179.6 | 179.8 | -179.5 | 0 | 110.2 | S1925 E1944 | S1925-K1946 WeakPolarHBondContact CB-O 3.34Å; S1925-K1946 PolarHBondContact N-O 3.49Å; S1925-K1946 PolarHBondContact OG-O 3.13Å; E1944-K1946 PolarHBondContact O-N 3.35Å; E1944-K1946 VanDerWaalsContact O-N 3.09Å | ||
| 1947 | L | 80.4 | Confident | 73.6 | Confident | 88 Ų | 88 | 80.7 Ų | 80.7 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 149.4 | 174.1 | -58.1 | 170.5 | 0 | 0 | 0 | 110.6 | N1922 M1923 P1924 T1945 | N1922-L1947 WeakPolarHBondContact OD1-CB 3.45Å; N1922-L1947 WeakPolarHBondContact OD1-CD1 3.32Å; M1923-L1947 CarbonylContact O-C 3.52Å; M1923-L1947 VanDerWaalsContact O-CA 3.31Å; M1923-L1947 WeakPolarHBondContact O-CA 3.31Å; P1924-L1947 HydrophobicContact CB-CD2 4.5Å; T1945-L1947 PolarHBondContact O-N 3.24Å; T1945-L1947 VanDerWaalsContact O-N 3.11Å |
| 1948 | V | 81.9 | Confident | 74.1 | Confident | 24 Ų | 24 | 80 Ų | 80 | 15% | 0.145 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145 | 179.4 | -90.2 | 0 | 0 | 0 | 0 | 109.9 | M1923 L1956 | M1923-V1948 HydrophobicContact CG-CG2 4.17Å; M1923-V1948 VanDerWaalsContact CG-O 3.27Å; M1923-V1948 WeakPolarHBondContact CG-O 3.46Å; M1923-V1948 PolarHBondContact N-O 2.86Å; M1923-V1948 VanDerWaalsContact O-CG2 3.27Å; M1923-V1948 WeakPolarHBondContact O-CG2 3.38Å; M1923-V1948 PolarHBondContact O-N 3.19Å; V1948-L1956 HydrophobicContact CB-CD1 4.39Å; V1948-L1956 HydrophobicContact CG2-CD1 3.9Å |
| 1949 | N | 82.1 | Confident | 74.9 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 19% | 0.187 | 42% | 0.417 | C | S | . | . | trans | -102.7 | 116.1 | 173.8 | -174.7 | -22.7 | 0 | 0 | 0 | 109 | S1921 F1951 E1952 C1953 | S1921-N1949 WeakPolarHBondContact O-CA 3.24Å; S1921-N1949 VanDerWaalsContact O-CB 3.22Å; S1921-N1949 WeakPolarHBondContact O-CB 3.41Å; S1921-N1949 VanDerWaalsContact O-CG 3.27Å; N1949-F1951 VanDerWaalsContact C-N 3.28Å; N1949-F1951 PolarHBondContact O-N 3.17Å; N1949-F1951 WeakPolarHBondContact OD1-CB 3.38Å; N1949-F1951 WeakPolarHBondContact OD1-CD2 3.48Å; N1949-F1951 PolarHBondContact OD1-N 3.26Å; N1949-E1952 HydrophobicContact CB-CB 4.27Å; N1949-E1952 HydrophobicContact CB-CG 4.09Å; N1949-E1952 PolarHBondContact O-N 3.01Å; N1949-C1953 PolarHBondContact O-N 3.02Å; N1949-C1953 PolarHBondContact O-SG 2.92Å | ||
| 1950 | L | 85.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.3 | -28.9 | -179.4 | -173.7 | 67.4 | 0 | 0 | 0 | 112.1 | L1805 L1920 M1923 E1952 R1954 L1956 M1980 L1982 | L1805-L1950 HydrophobicContact CD1-CD2 3.63Å; L1920-L1950 HydrophobicContact CB-CB 4.48Å; L1920-L1950 HydrophobicContact CD2-CD2 3.89Å; L1920-L1950 VanDerWaalsContact O-CB 3.24Å; L1920-L1950 WeakPolarHBondContact O-CB 3.37Å; L1920-L1950 PolarHBondContact O-N 3.39Å; M1923-L1950 HydrophobicContact SD-CB 4.24Å; L1950-E1952 PolarHBondContact O-N 2.89Å; L1950-R1954 VanDerWaalsContact O-CA 3.24Å; L1950-R1954 WeakPolarHBondContact O-CA 3.28Å; L1950-R1954 PolarHBondContact O-N 2.79Å; L1950-L1956 HydrophobicContact CD1-CB 4.26Å; L1950-L1956 HydrophobicContact CD1-CD1 3.92Å; L1950-L1956 HydrophobicContact CD1-CG 4.01Å; L1950-M1980 HydrophobicContact CD1-CB 4.18Å; L1950-M1980 HydrophobicContact CD2-CB 4.16Å; L1950-M1980 HydrophobicContact CD2-SD 4.49Å; L1950-L1982 HydrophobicContact CD2-CB 4.23Å; L1950-L1982 HydrophobicContact CG-CB 4.12Å |
| 1951 | F | 82.9 | Confident | 78.1 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.3 | -24.3 | 176.4 | -61.2 | -86.8 | 0 | 0 | 0 | 112.4 | F1866 Y1868 P1895 L1920 N1949 R1954 L1982 | F1866-F1951 AromaticContact CE2-CE1 3.95Å; F1866-F1951 HydrophobicContact CE2-CE1 3.95Å; F1866-F1951 AromaticContact CE2-CZ 3.94Å; F1866-F1951 HydrophobicContact CE2-CZ 3.94Å; F1866-F1951 AromaticContact CZ-CE1 3.91Å; F1866-F1951 HydrophobicContact CZ-CE1 3.91Å; F1866-F1951 HydrophobicContact CZ-CZ 4.03Å; Y1868-F1951 AromaticContact CD1-CD1 3.39Å; Y1868-F1951 HydrophobicContact CD1-CD1 3.39Å; Y1868-F1951 AromaticContact CD1-CE1 3.14Å; Y1868-F1951 HydrophobicContact CD1-CE1 3.14Å; Y1868-F1951 HydrophobicContact CD1-CE2 4.47Å; Y1868-F1951 HydrophobicContact CD1-CG 4.2Å; Y1868-F1951 AromaticContact CD1-CZ 3.76Å; Y1868-F1951 HydrophobicContact CD1-CZ 3.76Å; Y1868-F1951 AromaticContact CD2-CE1 3.85Å; Y1868-F1951 HydrophobicContact CD2-CE1 3.85Å; Y1868-F1951 HydrophobicContact CD2-CE2 4.34Å; Y1868-F1951 AromaticContact CD2-CZ 3.61Å; Y1868-F1951 HydrophobicContact CD2-CZ 3.61Å; Y1868-F1951 HydrophobicContact CE1-CB 4.38Å; Y1868-F1951 AromaticContact CE1-CD1 3.23Å; Y1868-F1951 HydrophobicContact CE1-CD1 3.23Å; Y1868-F1951 AromaticContact CE1-CD2 3.88Å; Y1868-F1951 HydrophobicContact CE1-CD2 3.88Å; Y1868-F1951 AromaticContact CE1-CE1 3.3Å; Y1868-F1951 HydrophobicContact CE1-CE1 3.3Å; Y1868-F1951 AromaticContact CE1-CE2 3.91Å; Y1868-F1951 HydrophobicContact CE1-CE2 3.91Å; Y1868-F1951 AromaticContact CE1-CG 3.56Å; Y1868-F1951 HydrophobicContact CE1-CG 3.56Å; Y1868-F1951 AromaticContact CE1-CZ 3.65Å; Y1868-F1951 HydrophobicContact CE1-CZ 3.65Å; Y1868-F1951 HydrophobicContact CE2-CD2 4.46Å; Y1868-F1951 HydrophobicContact CE2-CE1 4.01Å; Y1868-F1951 AromaticContact CE2-CE2 3.79Å; Y1868-F1951 HydrophobicContact CE2-CE2 3.79Å; Y1868-F1951 AromaticContact CE2-CZ 3.53Å; Y1868-F1951 HydrophobicContact CE2-CZ 3.53Å; Y1868-F1951 HydrophobicContact CG-CD1 4.16Å; Y1868-F1951 AromaticContact CG-CE1 3.43Å; Y1868-F1951 HydrophobicContact CG-CE1 3.43Å; Y1868-F1951 VanDerWaalsContact CG-CE1 3.43Å; Y1868-F1951 AromaticContact CG-CZ 3.73Å; Y1868-F1951 HydrophobicContact CG-CZ 3.73Å; Y1868-F1951 AromaticContact CZ-CD1 3.93Å; Y1868-F1951 AromaticContact CZ-CD2 3.76Å; Y1868-F1951 AromaticContact CZ-CE1 3.74Å; Y1868-F1951 AromaticContact CZ-CE2 3.53Å; Y1868-F1951 AromaticContact CZ-CG 3.96Å; Y1868-F1951 AromaticContact CZ-CZ 3.54Å; P1895-F1951 HydrophobicContact CB-CE2 4Å; P1895-F1951 HydrophobicContact CB-CZ 3.95Å; P1895-F1951 HydrophobicContact CG-CE2 3.99Å; P1895-F1951 HydrophobicContact CG-CZ 4.37Å; L1920-F1951 HydrophobicContact CB-CE2 3.75Å; L1920-F1951 HydrophobicContact CB-CZ 4.3Å; L1920-F1951 HydrophobicContact CD1-CZ 4.42Å; N1949-F1951 VanDerWaalsContact C-N 3.28Å; N1949-F1951 PolarHBondContact O-N 3.17Å; N1949-F1951 WeakPolarHBondContact OD1-CB 3.38Å; N1949-F1951 WeakPolarHBondContact OD1-CD2 3.48Å; N1949-F1951 PolarHBondContact OD1-N 3.26Å; F1951-R1954 WeakPolarHBondContact O-CD 3.49Å; F1951-R1954 PolarHBondContact O-NE 2.96Å; F1951-R1954 VanDerWaalsContact O-NE 3.12Å; F1951-L1982 HydrophobicContact CB-CD2 4.31Å; F1951-L1982 HydrophobicContact CD1-CD2 3.15Å; F1951-L1982 HydrophobicContact CE1-CD2 3.46Å; F1951-L1982 VanDerWaalsContact CE1-CD2 3.46Å; F1951-L1982 HydrophobicContact CG-CD2 3.83Å; F1951-L1982 HydrophobicContact CZ-CD2 4.37Å |
| 1952 | E | 79.5 | Confident | 80.4 | Confident | 153 Ų | 153 | 62.8 Ų | 62.8 | 72% | 0.715 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -90.2 | -50.1 | 174.1 | -64.1 | -179.5 | 176 | 0 | 0 | 112.3 | N1949 L1950 R1954 | N1949-E1952 HydrophobicContact CB-CB 4.27Å; N1949-E1952 HydrophobicContact CB-CG 4.09Å; N1949-E1952 PolarHBondContact O-N 3.01Å; L1950-E1952 PolarHBondContact O-N 2.89Å; E1952-R1954 VanDerWaalsContact C-N 3.29Å; E1952-R1954 PolarHBondContact O-N 3.47Å |
| 1953 | C | 81.8 | Confident | 82.2 | Confident | 62 Ų | 62 | 59.6 Ų | 59.6 | 42% | 0.419 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.1 | -23 | -176.6 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | N1949 R1955 | N1949-C1953 PolarHBondContact O-N 3.02Å; N1949-C1953 PolarHBondContact O-SG 2.92Å; C1953-R1955 PolarHBondContact O-N 3.29Å |
| 1954 | R | 84.8 | Confident | 84 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | trans | 59.2 | -24.2 | -177 | -61.5 | -62 | -170 | 115.4 | 6.2 | 116.6 | L1950 F1951 E1952 E1981 L1982 E1987 | L1950-R1954 VanDerWaalsContact O-CA 3.24Å; L1950-R1954 WeakPolarHBondContact O-CA 3.28Å; L1950-R1954 PolarHBondContact O-N 2.79Å; F1951-R1954 WeakPolarHBondContact O-CD 3.49Å; F1951-R1954 PolarHBondContact O-NE 2.96Å; F1951-R1954 VanDerWaalsContact O-NE 3.12Å; E1952-R1954 VanDerWaalsContact C-N 3.29Å; E1952-R1954 PolarHBondContact O-N 3.47Å; R1954-E1981 CarbonylContact O-C 3.52Å; R1954-E1981 WeakPolarHBondContact O-CA 3.38Å; R1954-L1982 PolarHBondContact O-N 2.8Å; R1954-E1987 IonicContact NH1-OE2 2.84Å; R1954-E1987 PolarHBondContact NH1-OE2 3.45Å | ||
| 1955 | R | 89.4 | Confident | 85 | Confident | 134 Ų | 134 | 53.5 Ų | 53.5 | 51% | 0.506 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 134.4 | 179.4 | -168.3 | 172.2 | 177.6 | 176.4 | 0.1 | 111.5 | C1953 E1979 M1980 E1981 | C1953-R1955 PolarHBondContact O-N 3.29Å; R1955-E1979 IonicContact CZ-OE1 2.86Å; R1955-E1979 IonicContact NE-OE1 3.4Å; R1955-E1979 PolarHBondContact NE-OE1 2.51Å; R1955-E1979 IonicContact NH2-OE1 2.98Å; R1955-E1979 PolarHBondContact NH2-OE1 2.77Å; R1955-M1980 CarbonylContact C-O 3.54Å; R1955-M1980 VanDerWaalsContact CA-O 3.24Å; R1955-M1980 WeakPolarHBondContact CA-O 3.21Å; R1955-E1981 HydrophobicContact CG-CB 4.37Å; R1955-E1981 HydrophobicContact CG-CG 4.48Å |
| 1956 | L | 90.8 | Very high | 85.4 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 12% | 0.12 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 137.1 | 178.2 | -74.4 | 174 | 0 | 0 | 0 | 110 | M1923 P1926 V1948 L1950 W1960 E1979 M1980 | M1923-L1956 HydrophobicContact CE-CD1 4.32Å; M1923-L1956 HydrophobicContact SD-CD1 4.14Å; P1926-L1956 HydrophobicContact CG-CB 4.4Å; P1926-L1956 HydrophobicContact CG-CD2 4.31Å; V1948-L1956 HydrophobicContact CB-CD1 4.39Å; V1948-L1956 HydrophobicContact CG2-CD1 3.9Å; L1950-L1956 HydrophobicContact CD1-CB 4.26Å; L1950-L1956 HydrophobicContact CD1-CD1 3.92Å; L1950-L1956 HydrophobicContact CD1-CG 4.01Å; L1956-W1960 HydrophobicContact CB-CH2 4.3Å; L1956-E1979 CarbonylContact O-C 3.51Å; L1956-E1979 WeakPolarHBondContact O-CA 3.25Å; L1956-M1980 HydrophobicContact CB-CE 4.39Å; L1956-M1980 PolarHBondContact N-O 2.83Å; L1956-M1980 PolarHBondContact O-N 2.9Å |
| 1957 | N | 90.5 | Very high | 85.1 | Confident | 107 Ų | 107 | 55.8 Ų | 55.8 | 57% | 0.572 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.8 | 175 | 68.3 | -22.5 | 0 | 0 | 0 | 111.6 | P1926 E1979 | P1926-N1957 WeakPolarHBondContact CG-O 3.17Å; N1957-E1979 HydrophobicContact CB-CB 4.22Å; N1957-E1979 HydrophobicContact CB-CG 4.14Å |
| 1958 | G | 92.9 | Very high | 84.5 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.4 | -151.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | S1927 W1960 E1977 M1978 | S1927-G1958 WeakPolarHBondContact O-CA 3.39Å; G1958-W1960 WeakPolarHBondContact O-CZ3 3.43Å; G1958-E1977 WeakPolarHBondContact O-CA 3.41Å; G1958-M1978 PolarHBondContact N-O 3.18Å; G1958-M1978 PolarHBondContact O-N 2.97Å |
| 1959 | F | 93.3 | Very high | 84.2 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.8 | -169.2 | -61.1 | -97 | 0 | 0 | 0 | 112.2 | F1813 S1927 R1930 C1933 I1976 E1977 | F1813-F1959 HydrophobicContact CD2-CD1 4.3Å; F1813-F1959 AromaticContact CD2-CE1 3.73Å; F1813-F1959 HydrophobicContact CD2-CE1 3.73Å; F1813-F1959 AromaticContact CE2-CE1 3.63Å; F1813-F1959 HydrophobicContact CE2-CE1 3.63Å; F1813-F1959 HydrophobicContact CE2-CZ 4.4Å; S1927-F1959 PolarHBondContact N-O 3.36Å; S1927-F1959 WeakPolarHBondContact O-CD2 3.16Å; S1927-F1959 PolarHBondContact O-N 3.2Å; R1930-F1959 HydrophobicContact CB-CD1 4.2Å; R1930-F1959 HydrophobicContact CB-CE1 3.95Å; R1930-F1959 HydrophobicContact CB-CZ 4.29Å; C1933-F1959 HydrophobicContact CB-CB 3.78Å; F1959-I1976 VanDerWaalsContact CA-O 3.24Å; F1959-I1976 WeakPolarHBondContact CA-O 3.44Å; F1959-E1977 HydrophobicContact CD1-CB 3.87Å; F1959-E1977 HydrophobicContact CD1-CG 4.31Å; F1959-E1977 HydrophobicContact CE1-CB 3.59Å; F1959-E1977 HydrophobicContact CE1-CG 3.83Å; F1959-E1977 HydrophobicContact CE2-CG 4.32Å; F1959-E1977 HydrophobicContact CZ-CB 4.12Å; F1959-E1977 HydrophobicContact CZ-CG 3.81Å; F1959-E1977 WeakPolarHBondContact CZ-OE1 3.42Å |
| 1960 | W | 93.7 | Very high | 84 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.8 | 170 | -71.5 | -93.8 | 0 | 0 | 0 | 111.3 | L1916 L1918 M1923 P1924 P1926 L1956 G1958 K1975 I1976 M1978 M1980 | L1916-W1960 HydrophobicContact CD1-CB 4.3Å; L1916-W1960 HydrophobicContact CD2-CB 3.48Å; L1916-W1960 VanDerWaalsContact CD2-CB 3.48Å; L1916-W1960 HydrophobicContact CD2-CG 4.23Å; L1918-W1960 HydrophobicContact CD1-CG 4.37Å; M1923-W1960 HydrophobicContact CE-CZ2 3.7Å; P1924-W1960 PolarHBondContact O-NE1 3.02Å; P1926-W1960 HydrophobicContact CB-CD2 4.14Å; P1926-W1960 HydrophobicContact CB-CE3 4.14Å; P1926-W1960 HydrophobicContact CB-CH2 3.4Å; P1926-W1960 HydrophobicContact CB-CZ2 3.35Å; P1926-W1960 HydrophobicContact CB-CZ3 3.79Å; P1926-W1960 HydrophobicContact CG-CH2 3.55Å; P1926-W1960 HydrophobicContact CG-CZ2 3.48Å; P1926-W1960 VanDerWaalsContact CG-CZ2 3.48Å; P1926-W1960 HydrophobicContact CG-CZ3 4.39Å; L1956-W1960 HydrophobicContact CB-CH2 4.3Å; G1958-W1960 WeakPolarHBondContact O-CZ3 3.43Å; W1960-K1975 CarbonylContact O-C 3.58Å; W1960-K1975 WeakPolarHBondContact O-CA 3.15Å; W1960-I1976 HydrophobicContact CB-CG2 4.05Å; W1960-I1976 PolarHBondContact N-O 2.81Å; W1960-I1976 PolarHBondContact O-N 2.66Å; W1960-M1978 HydrophobicContact CB-CE 4.47Å; W1960-M1978 HydrophobicContact CD2-CE 3.64Å; W1960-M1978 HydrophobicContact CE3-CE 3.33Å; W1960-M1978 HydrophobicContact CE3-CG 3.59Å; W1960-M1978 HydrophobicContact CE3-SD 4.22Å; W1960-M1978 HydrophobicContact CG-CE 4.17Å; W1960-M1978 HydrophobicContact CH2-CE 4.29Å; W1960-M1978 HydrophobicContact CZ3-CE 3.7Å; W1960-M1978 HydrophobicContact CZ3-CG 3.48Å; W1960-M1978 VanDerWaalsContact CZ3-CG 3.48Å; W1960-M1978 HydrophobicContact CZ3-SD 4.45Å; W1960-M1980 HydrophobicContact CH2-CE 3.11Å; W1960-M1980 HydrophobicContact CZ2-CE 3.37Å; W1960-M1980 HydrophobicContact CZ3-CE 3.81Å |
| 1961 | P | 93.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 141 | 179 | 32.5 | -32.7 | 0 | 0 | 0 | 111.5 | C1933 M1937 L1938 L1972 | C1933-P1961 VanDerWaalsContact SG-N 3.35Å; M1937-P1961 HydrophobicContact CB-CG 4.44Å; L1938-P1961 HydrophobicContact CD1-CG 3.76Å; L1938-P1961 HydrophobicContact CG-CG 3.84Å; P1961-L1972 HydrophobicContact CB-CD1 3.37Å |
| 1962 | F | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 144.8 | 163.2 | -77.7 | -61.7 | 0 | 0 | 0 | 110.2 | T1812 V1832 L1899 V1901 L1916 T1973 G1974 I1976 | T1812-F1962 HydrophobicContact CG2-CE2 4.26Å; V1832-F1962 HydrophobicContact CG1-CZ 4.32Å; L1899-F1962 HydrophobicContact CB-CE1 3.89Å; L1899-F1962 HydrophobicContact CB-CZ 4.28Å; V1901-F1962 HydrophobicContact CB-CD2 3.96Å; V1901-F1962 HydrophobicContact CB-CE2 3.73Å; V1901-F1962 HydrophobicContact CB-CG 4.45Å; V1901-F1962 HydrophobicContact CB-CZ 4.04Å; V1901-F1962 HydrophobicContact CG1-CB 4.11Å; V1901-F1962 HydrophobicContact CG1-CD1 4.12Å; V1901-F1962 HydrophobicContact CG1-CD2 3.53Å; V1901-F1962 HydrophobicContact CG1-CE1 4.41Å; V1901-F1962 HydrophobicContact CG1-CE2 3.84Å; V1901-F1962 HydrophobicContact CG1-CG 3.68Å; V1901-F1962 HydrophobicContact CG1-CZ 4.28Å; L1916-F1962 HydrophobicContact CB-CD1 3.54Å; L1916-F1962 HydrophobicContact CB-CE1 3.66Å; F1962-T1973 PolarHBondContact O-N 3.29Å; F1962-T1973 VanDerWaalsContact O-N 3.07Å; F1962-G1974 PolarHBondContact N-O 3.07Å; F1962-I1976 HydrophobicContact CD2-CB 4.32Å; F1962-I1976 HydrophobicContact CE2-CB 3.64Å; F1962-I1976 HydrophobicContact CE2-CD1 4.16Å; F1962-I1976 HydrophobicContact CE2-CG1 4.36Å; F1962-I1976 HydrophobicContact CE2-CG2 4.22Å; F1962-I1976 HydrophobicContact CZ-CB 4.03Å; F1962-I1976 HydrophobicContact CZ-CD1 3.86Å; F1962-I1976 HydrophobicContact CZ-CG2 4.27Å |
| 1963 | V | 89 | Confident | 84.6 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.4 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | G1914 T1915 L1935 L1938 E1965 P1970 L1971 | G1914-V1963 WeakPolarHBondContact CA-O 3.41Å; T1915-V1963 PolarHBondContact N-O 3.15Å; T1915-V1963 PolarHBondContact O-N 2.83Å; L1935-V1963 HydrophobicContact CD1-CB 4.47Å; L1935-V1963 HydrophobicContact CD1-CG1 4.23Å; L1935-V1963 HydrophobicContact CD1-CG2 3.59Å; L1935-V1963 HydrophobicContact CG-CG2 4.22Å; L1938-V1963 HydrophobicContact CD1-CG2 3.4Å; L1938-V1963 VanDerWaalsContact CD1-CG2 3.4Å; V1963-E1965 HydrophobicContact CG1-CG 4.01Å; V1963-P1970 HydrophobicContact CG1-CB 3.55Å; V1963-L1971 VanDerWaalsContact CA-O 3.26Å; V1963-L1971 WeakPolarHBondContact CA-O 3.15Å |
| 1964 | N | 86.1 | Confident | 85.1 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.8 | 165 | -172.1 | -19.5 | 0 | 0 | 0 | 109.1 | F1912 E1966 L1971 T1973 | F1912-N1964 HydrophobicContact CE1-CB 4.46Å; N1964-E1966 WeakPolarHBondContact OD1-CB 3.48Å; N1964-E1966 WeakPolarHBondContact OD1-CG 3.15Å; N1964-E1966 PolarHBondContact OD1-N 2.78Å; N1964-L1971 PolarHBondContact N-O 3.49Å; N1964-L1971 PolarHBondContact O-N 3.11Å; N1964-T1973 HydrophobicContact CB-CG2 3.54Å |
| 1965 | E | 76.8 | Confident | 85.5 | Confident | 135 Ų | 135 | 52.9 Ų | 52.9 | 63% | 0.631 | 29% | 0.291 | S | S | * | . | trans | -109.8 | 4.6 | -178.9 | -63.4 | -165.9 | 165 | 0 | 0 | 113.9 | V1963 S1967 G1968 P1970 | V1963-E1965 HydrophobicContact CG1-CG 4.01Å; E1965-S1967 PolarHBondContact O-N 3.03Å; E1965-G1968 PolarHBondContact O-N 3.11Å; E1965-P1970 HydrophobicContact CG-CB 4.06Å | ||
| 1966 | E | 72.7 | Confident | 85.7 | Confident | 162 Ų | 162 | 46.5 Ų | 46.5 | 76% | 0.757 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.8 | -176.5 | -76.5 | -177.6 | 159 | 0 | 0 | 114.2 | N1964 G1968 | N1964-E1966 WeakPolarHBondContact OD1-CB 3.48Å; N1964-E1966 WeakPolarHBondContact OD1-CG 3.15Å; N1964-E1966 PolarHBondContact OD1-N 2.78Å; E1966-G1968 VanDerWaalsContact C-N 3.34Å |
| 1967 | S | 66.8 | Low | 86 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.9 | 177.3 | 63.7 | 0 | 0 | 0 | 0 | 114.7 | E1965 T1969 L1971 | E1965-S1967 PolarHBondContact O-N 3.03Å; S1967-T1969 PolarHBondContact O-N 2.98Å; S1967-T1969 PolarHBondContact OG-O 3.25Å; S1967-L1971 WeakPolarHBondContact OG-CD1 3.41Å |
| 1968 | G | 68.2 | Low | 86.2 | Confident | 68 Ų | 68 | 42.9 Ų | 42.9 | 70% | 0.701 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 82 | -9.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1965 E1966 | E1965-G1968 PolarHBondContact O-N 3.11Å; E1966-G1968 VanDerWaalsContact C-N 3.34Å |
| 1969 | T | 75.3 | Confident | 86.2 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 53% | 0.534 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -120.5 | 131.5 | 170.5 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | S1967 L1971 | S1967-T1969 PolarHBondContact O-N 2.98Å; S1967-T1969 PolarHBondContact OG-O 3.25Å; T1969-L1971 PolarHBondContact O-N 2.73Å; T1969-L1971 VanDerWaalsContact O-N 3.15Å |
| 1970 | P | 77.2 | Confident | 86.2 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | trans | -69 | 113.2 | -177.5 | 28 | -34.7 | 0 | 0 | 0 | 110.7 | L1935 V1963 E1965 | L1935-P1970 HydrophobicContact CD2-CB 3.98Å; L1935-P1970 HydrophobicContact CD2-CG 3.96Å; L1935-P1970 WeakPolarHBondContact CD2-O 3.25Å; V1963-P1970 HydrophobicContact CG1-CB 3.55Å; E1965-P1970 HydrophobicContact CG-CB 4.06Å | ||
| 1971 | L | 83.8 | Confident | 86.2 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.2 | 179.9 | -74.9 | 158.4 | 0 | 0 | 0 | 110.3 | V1963 N1964 S1967 T1969 T1973 | V1963-L1971 VanDerWaalsContact CA-O 3.26Å; V1963-L1971 WeakPolarHBondContact CA-O 3.15Å; N1964-L1971 PolarHBondContact N-O 3.49Å; N1964-L1971 PolarHBondContact O-N 3.11Å; S1967-L1971 WeakPolarHBondContact OG-CD1 3.41Å; T1969-L1971 PolarHBondContact O-N 2.73Å; T1969-L1971 VanDerWaalsContact O-N 3.15Å; L1971-T1973 HydrophobicContact CB-CG2 4.39Å; L1971-T1973 PolarHBondContact O-N 2.64Å |
| 1972 | L | 88.3 | Confident | 86.1 | Confident | 70 Ų | 70 | 43.8 Ų | 43.8 | 37% | 0.366 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 106.4 | 172.9 | 177.2 | 69.9 | 0 | 0 | 0 | 108.5 | L1935 P1961 G1974 K1975 | L1935-L1972 HydrophobicContact CD1-CB 3.8Å; L1935-L1972 VanDerWaalsContact CD1-N 3.33Å; P1961-L1972 HydrophobicContact CB-CD1 3.37Å; L1972-G1974 WeakPolarHBondContact CD1-O 3.4Å; L1972-K1975 HydrophobicContact CD1-CG 4.48Å |
| 1973 | T | 89.3 | Confident | 86 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -3.9 | -176 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | V1815 V1816 I1913 G1914 F1962 N1964 L1971 | V1815-T1973 VanDerWaalsContact CA-O 3.32Å; V1815-T1973 WeakPolarHBondContact CA-O 3.27Å; V1816-T1973 HydrophobicContact CG2-CG2 4.31Å; V1816-T1973 PolarHBondContact N-O 3.09Å; I1913-T1973 WeakPolarHBondContact O-CB 2.87Å; I1913-T1973 WeakPolarHBondContact O-CG2 3.23Å; I1913-T1973 PolarHBondContact O-OG1 2.79Å; G1914-T1973 WeakPolarHBondContact CA-OG1 3.41Å; F1962-T1973 PolarHBondContact O-N 3.29Å; F1962-T1973 VanDerWaalsContact O-N 3.07Å; N1964-T1973 HydrophobicContact CB-CG2 3.54Å; L1971-T1973 HydrophobicContact CB-CG2 4.39Å; L1971-T1973 PolarHBondContact O-N 2.64Å |
| 1974 | G | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | 179.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1813 D1814 F1962 L1972 | F1813-G1974 CarbonylContact O-C 3.41Å; D1814-G1974 WeakPolarHBondContact O-CA 3.17Å; F1962-G1974 PolarHBondContact N-O 3.07Å; L1972-G1974 WeakPolarHBondContact CD1-O 3.4Å |
| 1975 | K | 94 | Very high | 86 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 10% | 0.1 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.8 | 174.7 | -60.6 | 169.1 | -172.7 | 167.5 | 0 | 108.8 | T1812 F1813 D1814 R1930 C1933 W1960 L1972 | T1812-K1975 CarbonylContact C-O 3.09Å; T1812-K1975 WeakPolarHBondContact CA-O 3.43Å; F1813-K1975 HydrophobicContact CB-CB 4.42Å; F1813-K1975 PolarHBondContact N-O 2.91Å; F1813-K1975 PolarHBondContact O-N 2.97Å; D1814-K1975 HydrophobicContact CB-CD 4.45Å; D1814-K1975 WeakPolarHBondContact OD2-CD 3.34Å; D1814-K1975 VanDerWaalsContact OD2-CE 3.31Å; D1814-K1975 WeakPolarHBondContact OD2-CE 3.39Å; D1814-K1975 IonicContact OD2-NZ 2.65Å; D1814-K1975 PolarHBondContact OD2-NZ 3.25Å; R1930-K1975 HydrophobicContact CG-CD 4.14Å; R1930-K1975 PolarHBondContact O-NZ 3.25Å; C1933-K1975 HydrophobicContact CB-CD 4.01Å; C1933-K1975 HydrophobicContact CB-CG 4.41Å; C1933-K1975 WeakPolarHBondContact O-CE 3.45Å; W1960-K1975 CarbonylContact O-C 3.58Å; W1960-K1975 WeakPolarHBondContact O-CA 3.15Å; L1972-K1975 HydrophobicContact CD1-CG 4.48Å |
| 1976 | I | 94.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.7 | 175.3 | -169.3 | 165.4 | 0 | 0 | 0 | 110.2 | V1809 T1812 V1832 L1899 L1916 F1959 W1960 F1962 M1978 | V1809-I1976 HydrophobicContact CG1-CD1 3.93Å; V1809-I1976 HydrophobicContact CG1-CG1 4.21Å; V1809-I1976 HydrophobicContact CG2-CD1 4.18Å; T1812-I1976 HydrophobicContact CG2-CB 4.46Å; T1812-I1976 HydrophobicContact CG2-CG1 4.27Å; V1832-I1976 HydrophobicContact CG1-CD1 3.99Å; V1832-I1976 HydrophobicContact CG2-CD1 4.35Å; L1899-I1976 HydrophobicContact CD1-CD1 4.41Å; L1916-I1976 HydrophobicContact CD2-CG2 3.73Å; F1959-I1976 VanDerWaalsContact CA-O 3.24Å; F1959-I1976 WeakPolarHBondContact CA-O 3.44Å; W1960-I1976 HydrophobicContact CB-CG2 4.05Å; W1960-I1976 PolarHBondContact N-O 2.81Å; W1960-I1976 PolarHBondContact O-N 2.66Å; F1962-I1976 HydrophobicContact CD2-CB 4.32Å; F1962-I1976 HydrophobicContact CE2-CB 3.64Å; F1962-I1976 HydrophobicContact CE2-CD1 4.16Å; F1962-I1976 HydrophobicContact CE2-CG1 4.36Å; F1962-I1976 HydrophobicContact CE2-CG2 4.22Å; F1962-I1976 HydrophobicContact CZ-CB 4.03Å; F1962-I1976 HydrophobicContact CZ-CD1 3.86Å; F1962-I1976 HydrophobicContact CZ-CG2 4.27Å; I1976-M1978 HydrophobicContact CD1-SD 4.08Å; I1976-M1978 HydrophobicContact CG1-CB 4.26Å; I1976-M1978 HydrophobicContact CG1-SD 4.35Å; I1976-M1978 HydrophobicContact CG2-CE 4.45Å; I1976-M1978 HydrophobicContact CG2-CG 4.47Å; I1976-M1978 HydrophobicContact CG2-SD 4Å |
| 1977 | E | 95.3 | Very high | 87.1 | Confident | 53 Ų | 53 | 40.2 Ų | 40.2 | 25% | 0.248 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.3 | 165.3 | -174.6 | -179.7 | -151.9 | 0 | 0 | 108.2 | W1810 N1811 F1813 G1958 F1959 | W1810-E1977 HydrophobicContact CB-CB 4.44Å; W1810-E1977 HydrophobicContact CB-CG 4.14Å; W1810-E1977 PolarHBondContact N-O 2.89Å; N1811-E1977 HydrophobicContact CB-CB 4.24Å; N1811-E1977 PolarHBondContact N-O 2.83Å; N1811-E1977 PolarHBondContact ND2-OE2 2.66Å; N1811-E1977 PolarHBondContact O-N 3.28Å; F1813-E1977 HydrophobicContact CE2-CB 4.1Å; G1958-E1977 WeakPolarHBondContact O-CA 3.41Å; F1959-E1977 HydrophobicContact CD1-CB 3.87Å; F1959-E1977 HydrophobicContact CD1-CG 4.31Å; F1959-E1977 HydrophobicContact CE1-CB 3.59Å; F1959-E1977 HydrophobicContact CE1-CG 3.83Å; F1959-E1977 HydrophobicContact CE2-CG 4.32Å; F1959-E1977 HydrophobicContact CZ-CB 4.12Å; F1959-E1977 HydrophobicContact CZ-CG 3.81Å; F1959-E1977 WeakPolarHBondContact CZ-OE1 3.42Å |
| 1978 | M | 94.7 | Very high | 88 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 160.2 | -178 | 66.4 | -173.2 | -173.7 | 0 | 0 | 112.7 | L1807 V1808 L1899 L1916 L1918 G1958 W1960 I1976 M1980 | L1807-M1978 HydrophobicContact CD1-CB 3.79Å; L1807-M1978 HydrophobicContact CD1-CG 3.87Å; L1807-M1978 HydrophobicContact CD1-SD 3.56Å; L1807-M1978 VanDerWaalsContact CD1-SD 3.56Å; L1807-M1978 HydrophobicContact CD2-SD 4.44Å; V1808-M1978 CarbonylContact O-C 3.42Å; V1808-M1978 WeakPolarHBondContact O-CA 3.45Å; V1808-M1978 WeakPolarHBondContact O-CB 3.43Å; L1899-M1978 HydrophobicContact CD1-CE 3.77Å; L1899-M1978 HydrophobicContact CD1-SD 3.39Å; L1899-M1978 WeakPolarHBondContact CD1-SD 3.44Å; L1916-M1978 HydrophobicContact CD2-CE 4.07Å; L1918-M1978 HydrophobicContact CD1-CE 3.48Å; L1918-M1978 VanDerWaalsContact CD1-CE 3.48Å; G1958-M1978 PolarHBondContact N-O 3.18Å; G1958-M1978 PolarHBondContact O-N 2.97Å; W1960-M1978 HydrophobicContact CB-CE 4.47Å; W1960-M1978 HydrophobicContact CD2-CE 3.64Å; W1960-M1978 HydrophobicContact CE3-CE 3.33Å; W1960-M1978 HydrophobicContact CE3-CG 3.59Å; W1960-M1978 HydrophobicContact CE3-SD 4.22Å; W1960-M1978 HydrophobicContact CG-CE 4.17Å; W1960-M1978 HydrophobicContact CH2-CE 4.29Å; W1960-M1978 HydrophobicContact CZ3-CE 3.7Å; W1960-M1978 HydrophobicContact CZ3-CG 3.48Å; W1960-M1978 VanDerWaalsContact CZ3-CG 3.48Å; W1960-M1978 HydrophobicContact CZ3-SD 4.45Å; I1976-M1978 HydrophobicContact CD1-SD 4.08Å; I1976-M1978 HydrophobicContact CG1-CB 4.26Å; I1976-M1978 HydrophobicContact CG1-SD 4.35Å; I1976-M1978 HydrophobicContact CG2-CE 4.45Å; I1976-M1978 HydrophobicContact CG2-CG 4.47Å; I1976-M1978 HydrophobicContact CG2-SD 4Å; M1978-M1980 HydrophobicContact CE-CE 3.81Å; M1978-M1980 HydrophobicContact CE-SD 4.1Å |
| 1979 | E | 93.7 | Very high | 88.8 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.9 | 174.3 | 177.3 | 172.7 | -165.3 | 0 | 0 | 109.3 | L1807 V1808 R1955 L1956 N1957 | L1807-E1979 CarbonylContact C-O 3.51Å; L1807-E1979 WeakPolarHBondContact CA-O 3.39Å; V1808-E1979 HydrophobicContact CB-CB 4.36Å; V1808-E1979 PolarHBondContact N-O 2.98Å; V1808-E1979 PolarHBondContact O-N 2.83Å; R1955-E1979 IonicContact CZ-OE1 2.86Å; R1955-E1979 IonicContact NE-OE1 3.4Å; R1955-E1979 PolarHBondContact NE-OE1 2.51Å; R1955-E1979 IonicContact NH2-OE1 2.98Å; R1955-E1979 PolarHBondContact NH2-OE1 2.77Å; L1956-E1979 CarbonylContact O-C 3.51Å; L1956-E1979 WeakPolarHBondContact O-CA 3.25Å; N1957-E1979 HydrophobicContact CB-CB 4.22Å; N1957-E1979 HydrophobicContact CB-CG 4.14Å |
| 1980 | M | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131 | 174.5 | -73.7 | 171 | -67.9 | 0 | 0 | 109.5 | L1805 R1806 L1807 L1897 M1923 L1950 R1955 L1956 W1960 M1978 | L1805-M1980 HydrophobicContact CD1-CB 4.28Å; L1805-M1980 HydrophobicContact CD1-CG 4.39Å; R1806-M1980 CarbonylContact O-C 3.56Å; R1806-M1980 WeakPolarHBondContact O-CA 3.39Å; L1807-M1980 HydrophobicContact CD1-CG 3.37Å; L1807-M1980 HydrophobicContact CD1-SD 4.34Å; L1897-M1980 HydrophobicContact CD2-SD 3.79Å; M1923-M1980 HydrophobicContact CE-CE 3.27Å; M1923-M1980 HydrophobicContact CE-SD 3.98Å; M1923-M1980 HydrophobicContact SD-CE 4.38Å; L1950-M1980 HydrophobicContact CD1-CB 4.18Å; L1950-M1980 HydrophobicContact CD2-CB 4.16Å; L1950-M1980 HydrophobicContact CD2-SD 4.49Å; R1955-M1980 CarbonylContact C-O 3.54Å; R1955-M1980 VanDerWaalsContact CA-O 3.24Å; R1955-M1980 WeakPolarHBondContact CA-O 3.21Å; L1956-M1980 HydrophobicContact CB-CE 4.39Å; L1956-M1980 PolarHBondContact N-O 2.83Å; L1956-M1980 PolarHBondContact O-N 2.9Å; W1960-M1980 HydrophobicContact CH2-CE 3.11Å; W1960-M1980 HydrophobicContact CZ2-CE 3.37Å; W1960-M1980 HydrophobicContact CZ3-CE 3.81Å; M1978-M1980 HydrophobicContact CE-CE 3.81Å; M1978-M1980 HydrophobicContact CE-SD 4.1Å |
| 1981 | E | 93.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.4 | 168.6 | -173.6 | -174.4 | -157.3 | 0 | 0 | 108.6 | R1806 R1954 R1955 V1983 R1991 | R1806-E1981 HydrophobicContact CB-CB 4.4Å; R1806-E1981 PolarHBondContact N-O 2.79Å; R1806-E1981 PolarHBondContact O-N 2.81Å; R1954-E1981 CarbonylContact O-C 3.52Å; R1954-E1981 WeakPolarHBondContact O-CA 3.38Å; R1955-E1981 HydrophobicContact CG-CB 4.37Å; R1955-E1981 HydrophobicContact CG-CG 4.48Å; E1981-V1983 HydrophobicContact CG-CG1 4.02Å; E1981-R1991 IonicContact OE1-CZ 3.07Å; E1981-R1991 VanDerWaalsContact OE1-CZ 3.23Å; E1981-R1991 IonicContact OE1-NH1 3.66Å; E1981-R1991 PolarHBondContact OE1-NH1 2.99Å; E1981-R1991 IonicContact OE1-NH2 3.78Å; E1981-R1991 PolarHBondContact OE1-NH2 3.1Å; E1981-R1991 IonicContact OE2-NH1 3.58Å |
| 1982 | L | 91.7 | Very high | 90 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 116.8 | 175.7 | -172.8 | 75.8 | 0 | 0 | 0 | 109.7 | Y1803 L1805 F1866 L1950 F1951 R1954 | Y1803-L1982 HydrophobicContact CD1-CD1 4.21Å; Y1803-L1982 HydrophobicContact CD1-CD2 3.84Å; Y1803-L1982 HydrophobicContact CD1-CG 3.82Å; Y1803-L1982 HydrophobicContact CE1-CD2 4.15Å; Y1803-L1982 HydrophobicContact CE1-CG 4.49Å; Y1803-L1982 HydrophobicContact CG-CD1 4.46Å; L1805-L1982 HydrophobicContact CB-CD1 4.09Å; L1805-L1982 HydrophobicContact CD1-CD1 4.39Å; F1866-L1982 HydrophobicContact CE1-CD1 3.64Å; F1866-L1982 HydrophobicContact CZ-CD1 3.57Å; L1950-L1982 HydrophobicContact CD2-CB 4.23Å; L1950-L1982 HydrophobicContact CG-CB 4.12Å; F1951-L1982 HydrophobicContact CB-CD2 4.31Å; F1951-L1982 HydrophobicContact CD1-CD2 3.15Å; F1951-L1982 HydrophobicContact CE1-CD2 3.46Å; F1951-L1982 VanDerWaalsContact CE1-CD2 3.46Å; F1951-L1982 HydrophobicContact CG-CD2 3.83Å; F1951-L1982 HydrophobicContact CZ-CD2 4.37Å; R1954-L1982 PolarHBondContact O-N 2.8Å |
| 1983 | V | 90.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.6 | 178.5 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | Y1803 I1804 E1981 E1987 A1988 | Y1803-V1983 CarbonylContact C-O 3.12Å; Y1803-V1983 WeakPolarHBondContact CA-O 3.37Å; I1804-V1983 HydrophobicContact CB-CG2 3.97Å; I1804-V1983 PolarHBondContact N-O 3.33Å; I1804-V1983 WeakPolarHBondContact O-CG2 3.3Å; I1804-V1983 PolarHBondContact O-N 3.45Å; I1804-V1983 VanDerWaalsContact O-N 3.08Å; E1981-V1983 HydrophobicContact CG-CG1 4.02Å; V1983-E1987 HydrophobicContact CB-CB 3.98Å; V1983-E1987 HydrophobicContact CG1-CB 4.47Å; V1983-A1988 HydrophobicContact CG2-CB 3.72Å |
| 1984 | T | 87.8 | Confident | 89.9 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 158.8 | 165.7 | 57 | 0 | 0 | 0 | 0 | 109.8 | Y1803 A1986 E1987 A1988 | Y1803-T1984 HydrophobicContact CD1-CG2 4.09Å; Y1803-T1984 HydrophobicContact CE1-CG2 3.61Å; T1984-A1986 PolarHBondContact O-N 2.77Å; T1984-E1987 PolarHBondContact N-OE2 3.5Å; T1984-E1987 PolarHBondContact O-N 3.42Å; T1984-E1987 VanDerWaalsContact O-N 3.09Å; T1984-E1987 WeakPolarHBondContact OG1-CB 3.26Å; T1984-E1987 VanDerWaalsContact OG1-CD 3.22Å; T1984-E1987 WeakPolarHBondContact OG1-CG 3.39Å; T1984-E1987 PolarHBondContact OG1-N 3.3Å; T1984-E1987 PolarHBondContact OG1-OE2 3.08Å; T1984-A1988 WeakPolarHBondContact O-CB 3.21Å; T1984-A1988 PolarHBondContact O-N 2.92Å |
| 1985 | K | 86.5 | Confident | 89.8 | Confident | 87 Ų | 87 | 43.2 Ų | 43.2 | 38% | 0.378 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -51.8 | -45.2 | 174.5 | -169 | -166.9 | -164.7 | 128.5 | 0 | 112.3 | E1802 E1987 A1988 D1989 | E1802-K1985 HydrophobicContact CB-CB 4.02Å; E1802-K1985 HydrophobicContact CB-CD 4.43Å; E1802-K1985 HydrophobicContact CG-CB 4.17Å; E1802-K1985 HydrophobicContact CG-CD 4.33Å; E1802-K1985 HydrophobicContact CG-CG 4.47Å; E1802-K1985 PolarHBondContact O-N 3.12Å; E1802-K1985 WeakPolarHBondContact OE1-CE 3.49Å; E1802-K1985 IonicContact OE1-NZ 2.81Å; E1802-K1985 PolarHBondContact OE1-NZ 3.24Å; E1802-K1985 VanDerWaalsContact OE2-CD 3.3Å; E1802-K1985 WeakPolarHBondContact OE2-CD 3.26Å; E1802-K1985 IonicContact OE2-NZ 2.64Å; E1802-K1985 PolarHBondContact OE2-NZ 3.23Å; K1985-E1987 PolarHBondContact O-N 2.9Å; K1985-A1988 WeakPolarHBondContact O-CA 3.28Å; K1985-A1988 WeakPolarHBondContact O-CB 3.3Å; K1985-A1988 PolarHBondContact O-N 3.2Å; K1985-D1989 VanDerWaalsContact O-CG 3.24Å; K1985-D1989 PolarHBondContact O-N 2.68Å |
| 1986 | A | 83.9 | Confident | 89.6 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1984 A1988 L1990 | T1984-A1986 PolarHBondContact O-N 2.77Å; A1986-A1988 VanDerWaalsContact C-N 3.31Å; A1986-L1990 WeakPolarHBondContact O-CG 3.31Å; A1986-L1990 PolarHBondContact O-N 3.32Å |
| 1987 | E | 88.4 | Confident | 89.3 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.2 | -32.7 | 173.6 | -72.7 | 164.6 | 153.6 | 0 | 0 | 112 | R1954 V1983 T1984 K1985 L1990 R1991 | R1954-E1987 IonicContact NH1-OE2 2.84Å; R1954-E1987 PolarHBondContact NH1-OE2 3.45Å; V1983-E1987 HydrophobicContact CB-CB 3.98Å; V1983-E1987 HydrophobicContact CG1-CB 4.47Å; T1984-E1987 PolarHBondContact N-OE2 3.5Å; T1984-E1987 PolarHBondContact O-N 3.42Å; T1984-E1987 VanDerWaalsContact O-N 3.09Å; T1984-E1987 WeakPolarHBondContact OG1-CB 3.26Å; T1984-E1987 VanDerWaalsContact OG1-CD 3.22Å; T1984-E1987 WeakPolarHBondContact OG1-CG 3.39Å; T1984-E1987 PolarHBondContact OG1-N 3.3Å; T1984-E1987 PolarHBondContact OG1-OE2 3.08Å; K1985-E1987 PolarHBondContact O-N 2.9Å; E1987-L1990 PolarHBondContact O-N 3.21Å; E1987-R1991 PolarHBondContact O-N 2.94Å |
| 1988 | A | 86.3 | Confident | 89 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1804 R1806 V1983 T1984 K1985 A1986 L1990 R1991 P1992 | I1804-A1988 HydrophobicContact CB-CB 4.41Å; I1804-A1988 HydrophobicContact CD1-CB 3.51Å; I1804-A1988 HydrophobicContact CG1-CB 4.11Å; R1806-A1988 VanDerWaalsContact NH2-CA 3.25Å; R1806-A1988 PolarHBondContact NH2-O 2.85Å; V1983-A1988 HydrophobicContact CG2-CB 3.72Å; T1984-A1988 WeakPolarHBondContact O-CB 3.21Å; T1984-A1988 PolarHBondContact O-N 2.92Å; K1985-A1988 WeakPolarHBondContact O-CA 3.28Å; K1985-A1988 WeakPolarHBondContact O-CB 3.3Å; K1985-A1988 PolarHBondContact O-N 3.2Å; A1986-A1988 VanDerWaalsContact C-N 3.31Å; A1988-L1990 VanDerWaalsContact C-N 3.26Å; A1988-L1990 PolarHBondContact O-N 3.15Å; A1988-R1991 CarbonylContact O-C 3.55Å; A1988-R1991 PolarHBondContact O-N 2.91Å; A1988-P1992 WeakPolarHBondContact O-CA 3.44Å; A1988-P1992 VanDerWaalsContact O-N 3.13Å |
| 1989 | D | 84.3 | Confident | 88.3 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 62% | 0.615 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.2 | -34.8 | 174.6 | -65.4 | -24.5 | 0 | 0 | 0 | 111.1 | K1985 | K1985-D1989 VanDerWaalsContact O-CG 3.24Å; K1985-D1989 PolarHBondContact O-N 2.68Å |
| 1990 | L | 85.8 | Confident | 88 | Confident | 148 Ų | 148 | 57.9 Ų | 57.9 | 78% | 0.775 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -74.8 | -30.8 | 174.4 | -73.2 | 169.4 | 0 | 0 | 0 | 113.7 | A1986 E1987 A1988 P1992 | A1986-L1990 WeakPolarHBondContact O-CG 3.31Å; A1986-L1990 PolarHBondContact O-N 3.32Å; E1987-L1990 PolarHBondContact O-N 3.21Å; A1988-L1990 VanDerWaalsContact C-N 3.26Å; A1988-L1990 PolarHBondContact O-N 3.15Å; L1990-P1992 VanDerWaalsContact C-CD 3.5Å |
| 1991 | R | 90.2 | Very high | 87.7 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -124.6 | 67.1 | -179.4 | -63.8 | -170.8 | -65.4 | 139.6 | -4.9 | 109.8 | R1806 E1981 E1987 A1988 | R1806-R1991 PolarHBondContact NH1-O 3.08Å; R1806-R1991 PolarHBondContact NH2-O 2.92Å; E1981-R1991 IonicContact OE1-CZ 3.07Å; E1981-R1991 VanDerWaalsContact OE1-CZ 3.23Å; E1981-R1991 IonicContact OE1-NH1 3.66Å; E1981-R1991 PolarHBondContact OE1-NH1 2.99Å; E1981-R1991 IonicContact OE1-NH2 3.78Å; E1981-R1991 PolarHBondContact OE1-NH2 3.1Å; E1981-R1991 IonicContact OE2-NH1 3.58Å; E1987-R1991 PolarHBondContact O-N 2.94Å; A1988-R1991 CarbonylContact O-C 3.55Å; A1988-R1991 PolarHBondContact O-N 2.91Å |
| 1992 | P | 85.8 | Confident | 87.1 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | trans | -63.8 | 149.4 | -173.2 | 28.9 | -36.5 | 0 | 0 | 0 | 111.1 | A1988 L1990 P2000 N2003 | A1988-P1992 WeakPolarHBondContact O-CA 3.44Å; A1988-P1992 VanDerWaalsContact O-N 3.13Å; L1990-P1992 VanDerWaalsContact C-CD 3.5Å; P1992-P2000 HydrophobicContact CB-CG 3.83Å; P1992-P2000 HydrophobicContact CG-CG 4.22Å; P1992-N2003 PolarHBondContact O-ND2 3.46Å | ||
| 1993 | A | 87.8 | Confident | 86.8 | Confident | 19 Ų | 19 | 66 Ų | 66 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | trans | -147.2 | 118.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 109 | R1861 | R1861-A1993 VanDerWaalsContact NH1-CA 3.26Š| ||
| 1994 | G | 87.4 | Confident | 86.4 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | trans | -69.5 | 161.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | R1861 P2000 | R1861-G1994 WeakPolarHBondContact CD-O 3.02Å; R1861-G1994 PolarHBondContact NH1-O 3.3Å; G1994-P2000 PolarHBondContact N-O 2.8Å | ||
| 1995 | K | 90.1 | Very high | 86.4 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -73.3 | 155.3 | 169 | -71.2 | -172.6 | 178.3 | -167.2 | 0 | 109.3 | D1841 V1863 R1997 E1998 | D1841-K1995 IonicContact OD1-NZ 2.66Å; D1841-K1995 PolarHBondContact OD1-NZ 2.94Å; D1841-K1995 IonicContact OD2-NZ 3.5Å; D1841-K1995 PolarHBondContact OD2-NZ 3.42Å; V1863-K1995 HydrophobicContact CB-CG 4.03Å; V1863-K1995 HydrophobicContact CG2-CG 4.13Å; K1995-R1997 PolarHBondContact O-N 2.81Å; K1995-R1997 VanDerWaalsContact O-N 3.1Å; K1995-E1998 VanDerWaalsContact O-CB 3.31Å; K1995-E1998 WeakPolarHBondContact O-CB 3.25Å; K1995-E1998 PolarHBondContact O-N 3.03Å |
| 1996 | A | 89.8 | Confident | 86.5 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | 56.5 | -112.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1860 R1861 L2006 | W1860-A1996 HydrophobicContact CD2-CB 3.78Å; W1860-A1996 HydrophobicContact CE3-CB 4.12Å; W1860-A1996 HydrophobicContact CH2-CB 3.56Å; W1860-A1996 HydrophobicContact CZ2-CB 3.19Å; W1860-A1996 HydrophobicContact CZ3-CB 4Å; R1861-A1996 WeakPolarHBondContact CB-O 3.3Å; R1861-A1996 PolarHBondContact N-O 3.48Å; R1861-A1996 VanDerWaalsContact N-O 3.17Å; R1861-A1996 WeakPolarHBondContact O-CA 3.42Å; R1861-A1996 PolarHBondContact O-N 3.37Å; A1996-L2006 WeakPolarHBondContact O-CD1 3.32Å |
| 1997 | R | 88.6 | Confident | 86.6 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 27% | 0.268 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 17.7 | 174.7 | -71.3 | 169.6 | -83.4 | 162 | -15.3 | 110.7 | D1846 N1859 W1860 K1995 N2001 L2006 | D1846-R1997 VanDerWaalsContact CG-NH2 3.29Å; D1846-R1997 IonicContact OD1-NH2 2.74Å; D1846-R1997 IonicContact OD2-NH2 3.67Å; D1846-R1997 PolarHBondContact OD2-NH2 2.75Å; N1859-R1997 WeakPolarHBondContact O-CG 3.3Å; W1860-R1997 VanDerWaalsContact CZ3-NH2 3.33Å; K1995-R1997 PolarHBondContact O-N 2.81Å; K1995-R1997 VanDerWaalsContact O-N 3.1Å; R1997-N2001 PolarHBondContact O-ND2 3.43Å; R1997-L2006 HydrophobicContact CG-CB 4Å |
| 1998 | E | 88 | Confident | 86.3 | Confident | 128 Ų | 128 | 71.9 Ų | 71.9 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | trans | -78 | 160 | -178.3 | -61.2 | 179.6 | 168.7 | 0 | 0 | 111.2 | K1995 P2000 N2001 | K1995-E1998 VanDerWaalsContact O-CB 3.31Å; K1995-E1998 WeakPolarHBondContact O-CB 3.25Å; K1995-E1998 PolarHBondContact O-N 3.03Å; E1998-P2000 CarbonylContact O-C 3.34Å; E1998-N2001 PolarHBondContact O-N 2.94Å | ||
| 1999 | D | 80.8 | Confident | 86.2 | Confident | 145 Ų | 145 | 72.8 Ų | 72.8 | 78% | 0.775 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -71.9 | 141.7 | 177.3 | -73.1 | -43.2 | 0 | 0 | 0 | 112.5 | N2001 | D1999-N2001 PolarHBondContact OD1-N 2.67Š|
| 2000 | P | 85.7 | Confident | 85.9 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | S | Bend | cis | -76.7 | 112.2 | -0.3 | 27.3 | -28.9 | 0 | 0 | 0 | 111.7 | P1992 G1994 E1998 E2002 | P1992-P2000 HydrophobicContact CB-CG 3.83Å; P1992-P2000 HydrophobicContact CG-CG 4.22Å; G1994-P2000 PolarHBondContact N-O 2.8Å; E1998-P2000 CarbonylContact O-C 3.34Å; P2000-E2002 PolarHBondContact O-N 3.31Å |
| 2001 | N | 88 | Confident | 85.7 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 9% | 0.086 | 36% | 0.357 | C | S | . | . | trans | -84.7 | 61.5 | 179.3 | -173 | 7.1 | 0 | 0 | 0 | 109.2 | R1861 R1997 E1998 D1999 H2005 L2006 | R1861-N2001 PolarHBondContact NH2-OD1 3.15Å; R1997-N2001 PolarHBondContact O-ND2 3.43Å; E1998-N2001 PolarHBondContact O-N 2.94Å; D1999-N2001 PolarHBondContact OD1-N 2.67Å; N2001-H2005 WeakPolarHBondContact O-CA 3.35Å; N2001-H2005 PolarHBondContact O-ND1 3.28Å; N2001-L2006 PolarHBondContact ND2-O 3.07Å; N2001-L2006 PolarHBondContact OD1-N 3.26Å | ||
| 2002 | E | 82.3 | Confident | 84.8 | Confident | 124 Ų | 124 | 70.7 Ų | 70.7 | 58% | 0.579 | 37% | 0.365 | S | S | * | . | trans | -128 | 167.7 | 174.6 | -64.9 | -166.5 | 167.9 | 0 | 0 | 109.3 | R1861 P2000 | R1861-E2002 PolarHBondContact NH1-O 3.35Å; R1861-E2002 PolarHBondContact NH2-O 2.93Å; P2000-E2002 PolarHBondContact O-N 3.31Å | ||
| 2003 | N | 83.7 | Confident | 84.1 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 57.9 | 58.7 | 173.6 | -52.3 | -62.7 | 0 | 0 | 0 | 115.5 | P1992 | P1992-N2003 PolarHBondContact O-ND2 3.46Š|
| 2004 | P | 83.6 | Confident | 83.2 | Confident | 41 Ų | 41 | 75.8 Ų | 75.8 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | S | Bend | cis | -96.9 | 155.3 | -2.8 | 35.7 | -32.5 | 0 | 0 | 0 | 112.7 | V1808 R1861 L2006 | V1808-P2004 HydrophobicContact CG2-CG 4.36Å; R1861-P2004 PolarHBondContact NH2-O 3.4Å; P2004-L2006 HydrophobicContact CG-CD2 4.23Å; P2004-L2006 PolarHBondContact O-N 2.79Å |
| 2005 | H | 86.7 | Confident | 82.3 | Confident | 128 Ų | 128 | 76.4 Ų | 76.4 | 59% | 0.593 | 39% | 0.387 | S | S | * | . | trans | -62.4 | 124.1 | 174.5 | -173.7 | 75.5 | 0 | 0 | 0 | 111.4 | N2001 | N2001-H2005 WeakPolarHBondContact O-CA 3.35Å; N2001-H2005 PolarHBondContact O-ND1 3.28Å | ||
| 2006 | L | 89.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | trans | -105 | 108.5 | -177.7 | -62.5 | 178.1 | 0 | 0 | 0 | 110.8 | V1808 W1810 R1861 A1996 R1997 N2001 P2004 | V1808-L2006 HydrophobicContact CG1-CD1 4.23Å; V1808-L2006 HydrophobicContact CG1-CD2 3.72Å; W1810-L2006 HydrophobicContact CH2-CD2 3.5Å; W1810-L2006 VanDerWaalsContact CH2-CD2 3.5Å; W1810-L2006 HydrophobicContact CZ2-CD2 4.08Å; W1810-L2006 HydrophobicContact CZ3-CD2 3.86Å; R1861-L2006 HydrophobicContact CB-CD1 3.75Å; A1996-L2006 WeakPolarHBondContact O-CD1 3.32Å; R1997-L2006 HydrophobicContact CG-CB 4Å; N2001-L2006 PolarHBondContact ND2-O 3.07Å; N2001-L2006 PolarHBondContact OD1-N 3.26Å; P2004-L2006 HydrophobicContact CG-CD2 4.23Å; P2004-L2006 PolarHBondContact O-N 2.79Å | ||
| 2007 | E | 86.7 | Confident | 80.4 | Confident | 115 Ų | 115 | 73.8 Ų | 73.8 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 152.4 | 170.7 | -67.5 | -177.6 | -177.1 | 0 | 0 | 111 | N1859 | N1859-E2007 WeakPolarHBondContact CB-O 3.33Å; N1859-E2007 PolarHBondContact ND2-O 3.01Å |
| 2008 | P | 81.9 | Confident | 79.3 | Confident | 97 Ų | 97 | 75.4 Ų | 75.4 | 63% | 0.63 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 144.6 | 169.6 | -23.3 | 33 | 0 | 0 | 0 | 112.4 | ||
| 2009 | P | 83.4 | Confident | 78.3 | Confident | 22 Ų | 22 | 76.2 Ų | 76.2 | 14% | 0.143 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 140.6 | -176 | 26.7 | -33.9 | 0 | 0 | 0 | 111.9 | N1857 R2011 | N1857-P2009 HydrophobicContact CB-CB 4.46Å; N1857-P2009 VanDerWaalsContact OD1-CA 3.3Å; N1857-P2009 WeakPolarHBondContact OD1-CA 3.26Å; N1857-P2009 WeakPolarHBondContact OD1-CB 3.44Å; P2009-R2011 HydrophobicContact CB-CG 4.09Å; P2009-R2011 HydrophobicContact CG-CG 4.3Å; P2009-R2011 PolarHBondContact O-N 2.8Å; P2009-R2011 VanDerWaalsContact O-N 3.07Å |
| 2010 | K | 79.3 | Confident | 77.5 | Confident | 170 Ų | 170 | 73.9 Ų | 73.9 | 74% | 0.739 | 37% | 0.374 | S | S | * | . | trans | -83 | 81.7 | 176.9 | -73.2 | -179.1 | -177.7 | 171 | 0 | 110.2 | ||||
| 2011 | R | 81.5 | Confident | 76.6 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | trans | -96.5 | 149 | 179.3 | -57.1 | -169.7 | 178.8 | 144.5 | 9.3 | 112.1 | D1846 V1847 N1857 P2009 S2015 | D1846-R2011 IonicContact OD1-CZ 3.69Å; D1846-R2011 IonicContact OD1-NH1 2.77Å; D1846-R2011 IonicContact OD1-NH2 2.67Å; D1846-R2011 PolarHBondContact OD1-NH2 2.84Å; D1846-R2011 IonicContact OD2-CZ 3.88Å; D1846-R2011 VanDerWaalsContact OD2-CZ 3.28Å; D1846-R2011 IonicContact OD2-NH1 3.63Å; D1846-R2011 PolarHBondContact OD2-NH1 2.81Å; D1846-R2011 IonicContact OD2-NH2 3.15Å; D1846-R2011 PolarHBondContact OD2-NH2 3.14Å; V1847-R2011 PolarHBondContact O-NH1 3.23Å; N1857-R2011 VanDerWaalsContact O-CZ 3.25Å; N1857-R2011 PolarHBondContact O-NE 3.45Å; N1857-R2011 PolarHBondContact O-NH2 3.09Å; P2009-R2011 HydrophobicContact CB-CG 4.09Å; P2009-R2011 HydrophobicContact CG-CG 4.3Å; P2009-R2011 PolarHBondContact O-N 2.8Å; P2009-R2011 VanDerWaalsContact O-N 3.07Å; R2011-S2015 WeakPolarHBondContact CD-OG 3.42Å | ||
| 2012 | P | 71.5 | Confident | 75.6 | Confident | 73 Ų | 73 | 76 Ų | 76 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | trans | -56 | 148.3 | 170.4 | -21.8 | 32.3 | 0 | 0 | 0 | 111.3 | T2014 S2015 | P2012-T2014 WeakPolarHBondContact CB-OG1 3.49Å; P2012-T2014 PolarHBondContact O-N 2.92Å; P2012-S2015 WeakPolarHBondContact O-CB 3.22Å; P2012-S2015 PolarHBondContact O-N 3.1Å | ||
| 2013 | E | 70.6 | Confident | 75 | Confident | 142 Ų | 142 | 80.4 Ų | 80.4 | 66% | 0.664 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -14.4 | 176.2 | -70.2 | -168.1 | 167.6 | 0 | 0 | 113.6 | F2016 F2028 | E2013-F2016 WeakPolarHBondContact O-CD1 3.47Å; E2013-F2016 VanDerWaalsContact O-CE1 3.23Å; E2013-F2016 WeakPolarHBondContact O-CE1 3.34Å; E2013-F2028 HydrophobicContact CB-CZ 4.11Å; E2013-F2028 VanDerWaalsContact OE2-CZ 3.3Å; E2013-F2028 WeakPolarHBondContact OE2-CZ 3.37Å |
| 2014 | T | 67.8 | Low | 74.3 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -11.2 | 174.1 | 52 | 0 | 0 | 0 | 0 | 114.4 | P2012 F2016 F2028 | P2012-T2014 WeakPolarHBondContact CB-OG1 3.49Å; P2012-T2014 PolarHBondContact O-N 2.92Å; T2014-F2016 PolarHBondContact O-N 2.89Å; T2014-F2016 VanDerWaalsContact O-N 3.1Å; T2014-F2028 HydrophobicContact CG2-CB 4.13Å; T2014-F2028 HydrophobicContact CG2-CD1 4.18Å; T2014-F2028 HydrophobicContact CG2-CG 4.24Å |
| 2015 | S | 70 | Confident | 73.4 | Confident | 22 Ų | 22 | 81.3 Ų | 81.3 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | trans | -83 | 79.9 | -179.8 | 165.9 | 0 | 0 | 0 | 0 | 110.9 | Y1849 R2011 P2012 | Y1849-S2015 VanDerWaalsContact O-CA 3.26Å; Y1849-S2015 WeakPolarHBondContact O-CA 3.44Å; Y1849-S2015 VanDerWaalsContact O-CB 3.32Å; Y1849-S2015 WeakPolarHBondContact O-CB 3.49Å; Y1849-S2015 PolarHBondContact O-OG 2.95Å; R2011-S2015 WeakPolarHBondContact CD-OG 3.42Å; P2012-S2015 WeakPolarHBondContact O-CB 3.22Å; P2012-S2015 PolarHBondContact O-N 3.1Å | ||
| 2016 | F | 69.9 | Low | 72.5 | Confident | 14 Ų | 14 | 78.9 Ų | 78.9 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -148.8 | 153.1 | 172.9 | 57 | -91.5 | 0 | 0 | 0 | 110 | E2013 T2014 W2018 K2024 T2025 F2028 I2029 | E2013-F2016 WeakPolarHBondContact O-CD1 3.47Å; E2013-F2016 VanDerWaalsContact O-CE1 3.23Å; E2013-F2016 WeakPolarHBondContact O-CE1 3.34Å; T2014-F2016 PolarHBondContact O-N 2.89Å; T2014-F2016 VanDerWaalsContact O-N 3.1Å; F2016-W2018 PolarHBondContact O-N 3.31Å; F2016-K2024 HydrophobicContact CD1-CB 3.99Å; F2016-K2024 HydrophobicContact CD1-CD 3.72Å; F2016-K2024 HydrophobicContact CD2-CB 4.05Å; F2016-K2024 HydrophobicContact CE1-CB 3.5Å; F2016-K2024 VanDerWaalsContact CE1-CB 3.5Å; F2016-K2024 HydrophobicContact CE1-CD 4Å; F2016-K2024 HydrophobicContact CE1-CG 4.37Å; F2016-K2024 HydrophobicContact CE2-CB 3.59Å; F2016-K2024 HydrophobicContact CG-CB 4.26Å; F2016-K2024 HydrophobicContact CG-CD 4.02Å; F2016-K2024 HydrophobicContact CZ-CB 3.3Å; F2016-T2025 WeakPolarHBondContact CE2-OG1 3.43Å; F2016-F2028 HydrophobicContact CE1-CD2 4Å; F2016-F2028 HydrophobicContact CZ-CB 4.46Å; F2016-F2028 HydrophobicContact CZ-CD2 4.3Å; F2016-I2029 HydrophobicContact CE2-CD1 4.27Å; F2016-I2029 HydrophobicContact CZ-CD1 4.27Å |
| 2017 | L | 68.3 | Low | 71.5 | Confident | 24 Ų | 24 | 85 Ų | 85 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | trans | -66.9 | 122.3 | 172.4 | -158.8 | 93.8 | 0 | 0 | 0 | 109.5 | Y1849 L1906 F2019 T2020 S2021 | Y1849-L2017 HydrophobicContact CD1-CB 4.45Å; Y1849-L2017 HydrophobicContact CD1-CD1 3.63Å; Y1849-L2017 HydrophobicContact CD2-CB 4.5Å; Y1849-L2017 HydrophobicContact CE1-CB 4.28Å; Y1849-L2017 HydrophobicContact CE1-CD1 3.05Å; Y1849-L2017 HydrophobicContact CE1-CG 4.25Å; Y1849-L2017 HydrophobicContact CE2-CB 4.28Å; Y1849-L2017 HydrophobicContact CE2-CD1 4.38Å; Y1849-L2017 HydrophobicContact CG-CD1 4.5Å; Y1849-L2017 VanDerWaalsContact CZ-CD1 3.48Å; L1906-L2017 HydrophobicContact CD1-CD1 4.35Å; L1906-L2017 HydrophobicContact CD1-CD2 4Å; L1906-L2017 HydrophobicContact CD2-CD2 4.33Å; L2017-F2019 PolarHBondContact O-N 2.58Å; L2017-T2020 HydrophobicContact CB-CG2 4.48Å; L2017-T2020 HydrophobicContact CD2-CG2 3.75Å; L2017-T2020 PolarHBondContact O-N 3.45Å; L2017-T2020 PolarHBondContact O-OG1 3.06Å; L2017-T2020 VanDerWaalsContact O-OG1 3.06Å; L2017-S2021 PolarHBondContact O-N 3.27Å | ||
| 2018 | W | 65.4 | Low | 70.5 | Confident | 106 Ų | 106 | 82.1 Ų | 82.1 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.9 | -169.4 | 73.7 | -82.9 | 0 | 0 | 0 | 114 | F2016 T2025 I2029 | F2016-W2018 PolarHBondContact O-N 3.31Å; W2018-T2025 VanDerWaalsContact C-OG1 3.28Å; W2018-T2025 VanDerWaalsContact CA-OG1 3.22Å; W2018-T2025 WeakPolarHBondContact CA-OG1 3.42Å; W2018-T2025 HydrophobicContact CB-CG2 4.13Å; W2018-T2025 HydrophobicContact CE3-CG2 4.02Å; W2018-T2025 PolarHBondContact O-OG1 3.19Å; W2018-I2029 HydrophobicContact CB-CD1 4.07Å |
| 2019 | F | 67 | Low | 69.7 | Low | 144 Ų | 144 | 78.4 Ų | 78.4 | 63% | 0.632 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -30.3 | 179.3 | -165.2 | -98.1 | 0 | 0 | 0 | 113.3 | L2017 | L2017-F2019 PolarHBondContact O-N 2.58Š|
| 2020 | T | 65 | Low | 68.9 | Low | 97 Ų | 97 | 80.3 Ų | 80.3 | 60% | 0.595 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -19.3 | -178.6 | 57.2 | 0 | 0 | 0 | 0 | 113 | L2017 P2022 | L2017-T2020 HydrophobicContact CB-CG2 4.48Å; L2017-T2020 HydrophobicContact CD2-CG2 3.75Å; L2017-T2020 PolarHBondContact O-N 3.45Å; L2017-T2020 PolarHBondContact O-OG1 3.06Å; L2017-T2020 VanDerWaalsContact O-OG1 3.06Å; T2020-P2022 VanDerWaalsContact C-CD 3.44Å; T2020-P2022 WeakPolarHBondContact O-CD 3.31Å |
| 2021 | S | 66.8 | Low | 68.4 | Low | 31 Ų | 31 | 77.5 Ų | 77.5 | 22% | 0.217 | 37% | 0.366 | C | S | . | . | trans | -125.1 | 59.9 | -174.8 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | L2017 W2023 K2024 T2025 | L2017-S2021 PolarHBondContact O-N 3.27Å; S2021-W2023 PolarHBondContact O-N 2.93Å; S2021-K2024 PolarHBondContact O-N 3.14Å; S2021-T2025 PolarHBondContact O-N 3.45Å; S2021-T2025 PolarHBondContact O-OG1 3.17Å | ||
| 2022 | P | 66.6 | Low | 67.6 | Low | 83 Ų | 83 | 83.3 Ų | 83.3 | 54% | 0.539 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55 | -34 | -168.9 | 18.6 | -31.5 | 0 | 0 | 0 | 114.3 | T2020 T2025 F2026 | T2020-P2022 VanDerWaalsContact C-CD 3.44Å; T2020-P2022 WeakPolarHBondContact O-CD 3.31Å; P2022-T2025 WeakPolarHBondContact O-CB 3.23Å; P2022-T2025 PolarHBondContact O-N 2.91Å; P2022-F2026 PolarHBondContact O-N 3.45Å |
| 2023 | W | 69.9 | Low | 67.2 | Low | 218 Ų | 218 | 85 Ų | 85 | 83% | 0.826 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.9 | -41 | 175.7 | -72.6 | 111.6 | 0 | 0 | 0 | 113.7 | S2021 T2025 F2026 K2027 | S2021-W2023 PolarHBondContact O-N 2.93Å; W2023-T2025 VanDerWaalsContact C-N 3.35Å; W2023-F2026 PolarHBondContact O-N 2.96Å; W2023-K2027 WeakPolarHBondContact O-CB 3.14Å; W2023-K2027 PolarHBondContact O-N 3.3Å |
| 2024 | K | 68.4 | Low | 67.1 | Low | 105 Ų | 105 | 82.7 Ų | 82.7 | 46% | 0.457 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 174.4 | -65.8 | -171.6 | 176.8 | -179.7 | 0 | 109.9 | F2016 S2021 F2026 K2027 F2028 | F2016-K2024 HydrophobicContact CD1-CB 3.99Å; F2016-K2024 HydrophobicContact CD1-CD 3.72Å; F2016-K2024 HydrophobicContact CD2-CB 4.05Å; F2016-K2024 HydrophobicContact CE1-CB 3.5Å; F2016-K2024 VanDerWaalsContact CE1-CB 3.5Å; F2016-K2024 HydrophobicContact CE1-CD 4Å; F2016-K2024 HydrophobicContact CE1-CG 4.37Å; F2016-K2024 HydrophobicContact CE2-CB 3.59Å; F2016-K2024 HydrophobicContact CG-CB 4.26Å; F2016-K2024 HydrophobicContact CG-CD 4.02Å; F2016-K2024 HydrophobicContact CZ-CB 3.3Å; S2021-K2024 PolarHBondContact O-N 3.14Å; K2024-F2026 PolarHBondContact O-N 2.86Å; K2024-K2027 PolarHBondContact O-N 2.74Å; K2024-F2028 HydrophobicContact CB-CD2 4.11Å; K2024-F2028 HydrophobicContact CB-CE2 4.44Å; K2024-F2028 WeakPolarHBondContact O-CB 3.09Å; K2024-F2028 VanDerWaalsContact O-CD2 3.31Å; K2024-F2028 WeakPolarHBondContact O-CD2 3.37Å; K2024-F2028 PolarHBondContact O-N 2.94Å |
| 2025 | T | 64.8 | Low | 66.9 | Low | 9 Ų | 9 | 84.4 Ų | 84.4 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.5 | -49.8 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | F2016 W2018 S2021 P2022 W2023 I2029 I2030 | F2016-T2025 WeakPolarHBondContact CE2-OG1 3.43Å; W2018-T2025 VanDerWaalsContact C-OG1 3.28Å; W2018-T2025 VanDerWaalsContact CA-OG1 3.22Å; W2018-T2025 WeakPolarHBondContact CA-OG1 3.42Å; W2018-T2025 HydrophobicContact CB-CG2 4.13Å; W2018-T2025 HydrophobicContact CE3-CG2 4.02Å; W2018-T2025 PolarHBondContact O-OG1 3.19Å; S2021-T2025 PolarHBondContact O-N 3.45Å; S2021-T2025 PolarHBondContact O-OG1 3.17Å; P2022-T2025 WeakPolarHBondContact O-CB 3.23Å; P2022-T2025 PolarHBondContact O-N 2.91Å; W2023-T2025 VanDerWaalsContact C-N 3.35Å; T2025-I2029 HydrophobicContact CG2-CD1 3.86Å; T2025-I2029 WeakPolarHBondContact O-CA 3.42Å; T2025-I2029 WeakPolarHBondContact O-CB 3.42Å; T2025-I2029 WeakPolarHBondContact O-CG1 3.3Å; T2025-I2029 PolarHBondContact O-N 3.22Å; T2025-I2030 HydrophobicContact CG2-CD1 4.23Å; T2025-I2030 PolarHBondContact O-N 3.49Å |
| 2026 | F | 68.1 | Low | 67 | Low | 77 Ų | 77 | 92.3 Ų | 92.3 | 34% | 0.338 | 41% | 0.413 | S | S | . | . | I | π-helix | trans | -61.1 | -51.6 | 177.4 | -175.7 | -99.7 | 0 | 0 | 0 | 111.8 | P2022 W2023 K2024 I2030 W2031 I2038 | P2022-F2026 PolarHBondContact O-N 3.45Å; W2023-F2026 PolarHBondContact O-N 2.96Å; K2024-F2026 PolarHBondContact O-N 2.86Å; F2026-I2030 HydrophobicContact CD2-CB 4.18Å; F2026-I2030 HydrophobicContact CD2-CD1 4.48Å; F2026-I2030 HydrophobicContact CD2-CG2 4.13Å; F2026-I2030 HydrophobicContact CE2-CG2 4.27Å; F2026-I2030 PolarHBondContact O-N 2.93Å; F2026-W2031 HydrophobicContact CE1-CB 4.47Å; F2026-W2031 HydrophobicContact CE1-CD2 4.34Å; F2026-W2031 AromaticContact CE1-CE3 3.63Å; F2026-W2031 HydrophobicContact CE1-CE3 3.63Å; F2026-W2031 HydrophobicContact CE1-CZ3 4.24Å; F2026-W2031 AromaticContact CZ-CE3 3.5Å; F2026-W2031 HydrophobicContact CZ-CE3 3.5Å; F2026-W2031 VanDerWaalsContact CZ-CE3 3.5Å; F2026-W2031 AromaticContact CZ-CZ3 3.98Å; F2026-W2031 HydrophobicContact CZ-CZ3 3.98Å; F2026-W2031 WeakPolarHBondContact O-CB 3.14Å; F2026-W2031 PolarHBondContact O-N 3.05Å; F2026-I2038 HydrophobicContact CE2-CD1 4.19Å |
| 2027 | K | 69.3 | Low | 67.1 | Low | 132 Ų | 132 | 96 Ų | 96 | 57% | 0.574 | 44% | 0.436 | S | S | * | . | I | π-helix | trans | -61.8 | -47.6 | -176.7 | -177.1 | -177 | 176.7 | -170.6 | 0 | 113 | W2023 K2024 | W2023-K2027 WeakPolarHBondContact O-CB 3.14Å; W2023-K2027 PolarHBondContact O-N 3.3Å; K2024-K2027 PolarHBondContact O-N 2.74Å |
| 2028 | F | 65.4 | Low | 67.3 | Low | 54 Ų | 54 | 96.5 Ų | 96.5 | 24% | 0.237 | 44% | 0.439 | C | S | . | . | I | π-helix | trans | -94.4 | -23.3 | -170.1 | -67.1 | -70.2 | 0 | 0 | 0 | 113.8 | E2013 T2014 F2016 K2024 | E2013-F2028 HydrophobicContact CB-CZ 4.11Å; E2013-F2028 VanDerWaalsContact OE2-CZ 3.3Å; E2013-F2028 WeakPolarHBondContact OE2-CZ 3.37Å; T2014-F2028 HydrophobicContact CG2-CB 4.13Å; T2014-F2028 HydrophobicContact CG2-CD1 4.18Å; T2014-F2028 HydrophobicContact CG2-CG 4.24Å; F2016-F2028 HydrophobicContact CE1-CD2 4Å; F2016-F2028 HydrophobicContact CZ-CB 4.46Å; F2016-F2028 HydrophobicContact CZ-CD2 4.3Å; K2024-F2028 HydrophobicContact CB-CD2 4.11Å; K2024-F2028 HydrophobicContact CB-CE2 4.44Å; K2024-F2028 WeakPolarHBondContact O-CB 3.09Å; K2024-F2028 VanDerWaalsContact O-CD2 3.31Å; K2024-F2028 WeakPolarHBondContact O-CD2 3.37Å; K2024-F2028 PolarHBondContact O-N 2.94Å |
| 2029 | I | 64.6 | Low | 67.7 | Low | 18 Ų | 18 | 94.1 Ų | 94.1 | 9% | 0.092 | 43% | 0.433 | C | S | . | . | I | π-helix | trans | -112.5 | -63.4 | -171 | -43.6 | 174.5 | 0 | 0 | 0 | 110.6 | T1823 R1850 F2016 W2018 T2025 | T1823-I2029 HydrophobicContact CG2-CG2 4.19Å; R1850-I2029 VanDerWaalsContact CZ-CD1 3.44Å; F2016-I2029 HydrophobicContact CE2-CD1 4.27Å; F2016-I2029 HydrophobicContact CZ-CD1 4.27Å; W2018-I2029 HydrophobicContact CB-CD1 4.07Å; T2025-I2029 HydrophobicContact CG2-CD1 3.86Å; T2025-I2029 WeakPolarHBondContact O-CA 3.42Å; T2025-I2029 WeakPolarHBondContact O-CB 3.42Å; T2025-I2029 WeakPolarHBondContact O-CG1 3.3Å; T2025-I2029 PolarHBondContact O-N 3.22Å |
| 2030 | I | 67.3 | Low | 68.1 | Low | 62 Ų | 62 | 88.9 Ų | 88.9 | 32% | 0.318 | 42% | 0.421 | S | S | . | . | I | π-helix | trans | -72.9 | -48.8 | -171.3 | -61.6 | 174.7 | 0 | 0 | 0 | 110.6 | T2025 F2026 K2032 K2033 M2034 I2038 | T2025-I2030 HydrophobicContact CG2-CD1 4.23Å; T2025-I2030 PolarHBondContact O-N 3.49Å; F2026-I2030 HydrophobicContact CD2-CB 4.18Å; F2026-I2030 HydrophobicContact CD2-CD1 4.48Å; F2026-I2030 HydrophobicContact CD2-CG2 4.13Å; F2026-I2030 HydrophobicContact CE2-CG2 4.27Å; F2026-I2030 PolarHBondContact O-N 2.93Å; I2030-K2032 VanDerWaalsContact C-N 3.31Å; I2030-K2032 PolarHBondContact O-N 3.44Å; I2030-K2033 PolarHBondContact O-N 3.49Å; I2030-M2034 HydrophobicContact CG2-CE 3.99Å; I2030-M2034 PolarHBondContact O-N 3.26Å; I2030-I2038 HydrophobicContact CG2-CD1 3.55Å |
| 2031 | W | 68.5 | Low | 68.7 | Low | 112 Ų | 112 | 89.5 Ų | 89.5 | 42% | 0.424 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.3 | -35.2 | -176.7 | -173.3 | -100.2 | 0 | 0 | 0 | 112.7 | F2026 K2033 K2035 | F2026-W2031 HydrophobicContact CE1-CB 4.47Å; F2026-W2031 HydrophobicContact CE1-CD2 4.34Å; F2026-W2031 AromaticContact CE1-CE3 3.63Å; F2026-W2031 HydrophobicContact CE1-CE3 3.63Å; F2026-W2031 HydrophobicContact CE1-CZ3 4.24Å; F2026-W2031 AromaticContact CZ-CE3 3.5Å; F2026-W2031 HydrophobicContact CZ-CE3 3.5Å; F2026-W2031 VanDerWaalsContact CZ-CE3 3.5Å; F2026-W2031 AromaticContact CZ-CZ3 3.98Å; F2026-W2031 HydrophobicContact CZ-CZ3 3.98Å; F2026-W2031 WeakPolarHBondContact O-CB 3.14Å; F2026-W2031 PolarHBondContact O-N 3.05Å; W2031-K2033 PolarHBondContact O-N 3.35Å; W2031-K2035 WeakPolarHBondContact O-CA 3.41Å; W2031-K2035 WeakPolarHBondContact O-CB 3.14Å; W2031-K2035 PolarHBondContact O-N 2.92Å |
| 2032 | K | 64.6 | Low | 69.2 | Low | 179 Ų | 179 | 92.7 Ų | 92.7 | 78% | 0.778 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.3 | -35.1 | -174.9 | -147.4 | -178.3 | -177.3 | -173.7 | 0 | 112.9 | I2030 | I2030-K2032 VanDerWaalsContact C-N 3.31Å; I2030-K2032 PolarHBondContact O-N 3.44Å |
| 2033 | K | 63.5 | Low | 69.8 | Low | 108 Ų | 108 | 93 Ų | 93 | 47% | 0.47 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -105.2 | -37.3 | -179.5 | -68.8 | -170 | -177.6 | 175.6 | 0 | 114.2 | T1823 E1825 I2030 W2031 | T1823-K2033 HydrophobicContact CG2-CD 3.94Å; T1823-K2033 PolarHBondContact O-NZ 2.83Å; T1823-K2033 VanDerWaalsContact O-NZ 3.14Å; T1823-K2033 PolarHBondContact OG1-NZ 3.41Å; E1825-K2033 WeakPolarHBondContact OE1-CE 2.98Å; E1825-K2033 IonicContact OE1-NZ 3.43Å; E1825-K2033 PolarHBondContact OE1-NZ 3.03Å; I2030-K2033 PolarHBondContact O-N 3.49Å; W2031-K2033 PolarHBondContact O-N 3.35Å |
| 2034 | M | 67 | Low | 70.2 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -98.8 | 8.9 | -176.7 | -63.4 | -150 | -63.3 | 0 | 0 | 114.4 | I2030 W2036 V2037 I2038 | I2030-M2034 HydrophobicContact CG2-CE 3.99Å; I2030-M2034 PolarHBondContact O-N 3.26Å; M2034-W2036 PolarHBondContact O-N 3Å; M2034-W2036 VanDerWaalsContact O-N 3.1Å; M2034-V2037 HydrophobicContact CB-CB 4.47Å; M2034-V2037 PolarHBondContact O-N 3.1Å; M2034-I2038 HydrophobicContact CB-CD1 3.96Å; M2034-I2038 HydrophobicContact CB-CG1 4.2Å; M2034-I2038 WeakPolarHBondContact O-CG1 3.5Å; M2034-I2038 PolarHBondContact O-N 2.86Å |
| 2035 | K | 64.2 | Low | 70.7 | Confident | 83 Ų | 83 | 90.4 Ų | 90.4 | 36% | 0.361 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -43.1 | -49.4 | -180 | 125.9 | 178.1 | 174 | -179.5 | 0 | 112.9 | W2031 I2039 | W2031-K2035 WeakPolarHBondContact O-CA 3.41Å; W2031-K2035 WeakPolarHBondContact O-CB 3.14Å; W2031-K2035 PolarHBondContact O-N 2.92Å; K2035-I2039 HydrophobicContact CG-CD1 4.14Å; K2035-I2039 WeakPolarHBondContact O-CB 3.37Å; K2035-I2039 WeakPolarHBondContact O-CD1 3.38Å; K2035-I2039 WeakPolarHBondContact O-CG1 3.39Å; K2035-I2039 PolarHBondContact O-N 2.86Å |
| 2036 | W | 72.8 | Confident | 71.4 | Confident | 189 Ų | 189 | 94.5 Ų | 94.5 | 72% | 0.716 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -75.4 | -33.3 | -175.8 | -69 | 114.4 | 0 | 0 | 0 | 112.7 | M2034 G2040 | M2034-W2036 PolarHBondContact O-N 3Å; M2034-W2036 VanDerWaalsContact O-N 3.1Å; W2036-G2040 PolarHBondContact O-N 2.87Å |
| 2037 | V | 71.9 | Confident | 71.9 | Confident | 90 Ų | 90 | 95 Ų | 95 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | M2034 G2040 L2041 | M2034-V2037 HydrophobicContact CB-CB 4.47Å; M2034-V2037 PolarHBondContact O-N 3.1Å; V2037-G2040 PolarHBondContact O-N 3.5Å; V2037-L2041 WeakPolarHBondContact O-CB 3.3Å; V2037-L2041 PolarHBondContact O-N 2.96Å |
| 2038 | I | 71.4 | Confident | 72.4 | Confident | 35 Ų | 35 | 90.2 Ų | 90.2 | 18% | 0.179 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 178.5 | -65.8 | 166.8 | 0 | 0 | 0 | 110.8 | F2026 I2030 M2034 G2040 L2041 L2042 | F2026-I2038 HydrophobicContact CE2-CD1 4.19Å; I2030-I2038 HydrophobicContact CG2-CD1 3.55Å; M2034-I2038 HydrophobicContact CB-CD1 3.96Å; M2034-I2038 HydrophobicContact CB-CG1 4.2Å; M2034-I2038 WeakPolarHBondContact O-CG1 3.5Å; M2034-I2038 PolarHBondContact O-N 2.86Å; I2038-G2040 VanDerWaalsContact C-N 3.33Å; I2038-G2040 PolarHBondContact O-N 3.3Å; I2038-L2041 PolarHBondContact O-N 2.97Å; I2038-L2042 HydrophobicContact CG2-CD1 4.2Å; I2038-L2042 WeakPolarHBondContact O-CB 3.45Å; I2038-L2042 PolarHBondContact O-N 3.41Å |
| 2039 | I | 75.5 | Confident | 73.1 | Confident | 56 Ų | 56 | 92.4 Ų | 92.4 | 29% | 0.287 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 173.7 | -69.4 | 166.6 | 0 | 0 | 0 | 110.2 | K2035 L2042 I2043 | K2035-I2039 HydrophobicContact CG-CD1 4.14Å; K2035-I2039 WeakPolarHBondContact O-CB 3.37Å; K2035-I2039 WeakPolarHBondContact O-CD1 3.38Å; K2035-I2039 WeakPolarHBondContact O-CG1 3.39Å; K2035-I2039 PolarHBondContact O-N 2.86Å; I2039-L2042 PolarHBondContact O-N 3.35Å; I2039-I2043 HydrophobicContact CG2-CD1 3.83Å; I2039-I2043 HydrophobicContact CG2-CG1 4.44Å; I2039-I2043 VanDerWaalsContact O-CG1 3.3Å; I2039-I2043 WeakPolarHBondContact O-CG1 3.44Å; I2039-I2043 PolarHBondContact O-N 2.93Å |
| 2040 | G | 75.5 | Confident | 73.7 | Confident | 35 Ų | 35 | 96.6 Ų | 96.6 | 36% | 0.361 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | W2036 V2037 I2038 I2043 F2044 | W2036-G2040 PolarHBondContact O-N 2.87Å; V2037-G2040 PolarHBondContact O-N 3.5Å; I2038-G2040 VanDerWaalsContact C-N 3.33Å; I2038-G2040 PolarHBondContact O-N 3.3Å; G2040-I2043 PolarHBondContact O-N 2.91Å; G2040-F2044 WeakPolarHBondContact O-CB 3.43Å; G2040-F2044 PolarHBondContact O-N 3.32Å |
| 2041 | L | 77.8 | Confident | 74.2 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.8 | -42.6 | 174.8 | -110.8 | 159.7 | 0 | 0 | 0 | 111.8 | V2037 I2038 F2044 L2045 | V2037-L2041 WeakPolarHBondContact O-CB 3.3Å; V2037-L2041 PolarHBondContact O-N 2.96Å; I2038-L2041 PolarHBondContact O-N 2.97Å; L2041-F2044 PolarHBondContact O-N 2.88Å; L2041-L2045 WeakPolarHBondContact O-CB 3.25Å; L2041-L2045 PolarHBondContact O-N 2.86Å |
| 2042 | L | 76.7 | Confident | 74.7 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.4 | -96.5 | 156 | 0 | 0 | 0 | 112.1 | I2038 I2039 L2045 I2046 | I2038-L2042 HydrophobicContact CG2-CD1 4.2Å; I2038-L2042 WeakPolarHBondContact O-CB 3.45Å; I2038-L2042 PolarHBondContact O-N 3.41Å; I2039-L2042 PolarHBondContact O-N 3.35Å; L2042-L2045 PolarHBondContact O-N 3.41Å; L2042-I2046 VanDerWaalsContact O-CG1 3.25Å; L2042-I2046 WeakPolarHBondContact O-CG1 3.41Å; L2042-I2046 PolarHBondContact O-N 3.35Å |
| 2043 | I | 77.8 | Confident | 75.1 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.5 | -68.8 | 168.8 | 0 | 0 | 0 | 110.4 | I2039 G2040 L2045 I2046 I2047 | I2039-I2043 HydrophobicContact CG2-CD1 3.83Å; I2039-I2043 HydrophobicContact CG2-CG1 4.44Å; I2039-I2043 VanDerWaalsContact O-CG1 3.3Å; I2039-I2043 WeakPolarHBondContact O-CG1 3.44Å; I2039-I2043 PolarHBondContact O-N 2.93Å; G2040-I2043 PolarHBondContact O-N 2.91Å; I2043-L2045 VanDerWaalsContact C-N 3.34Å; I2043-L2045 PolarHBondContact O-N 2.91Å; I2043-I2046 PolarHBondContact O-N 3.36Å; I2043-I2047 HydrophobicContact CG2-CD1 3.79Å; I2043-I2047 HydrophobicContact CG2-CG1 4.4Å; I2043-I2047 WeakPolarHBondContact O-CG1 3.42Å; I2043-I2047 PolarHBondContact O-N 3.32Å |
| 2044 | F | 79.3 | Confident | 75.5 | Confident | 159 Ų | 159 | 95.6 Ų | 95.6 | 70% | 0.697 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -40.8 | 177.9 | -166.2 | -92.1 | 0 | 0 | 0 | 111.9 | G2040 L2041 I2047 G2048 | G2040-F2044 WeakPolarHBondContact O-CB 3.43Å; G2040-F2044 PolarHBondContact O-N 3.32Å; L2041-F2044 PolarHBondContact O-N 2.88Å; F2044-I2047 PolarHBondContact O-N 3.46Å; F2044-G2048 PolarHBondContact O-N 3.35Å |
| 2045 | L | 79.4 | Confident | 75.7 | Confident | 110 Ų | 110 | 95.5 Ų | 95.5 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 173.2 | -115.6 | 160.2 | 0 | 0 | 0 | 111.7 | L2041 L2042 I2043 G2048 L2049 | L2041-L2045 WeakPolarHBondContact O-CB 3.25Å; L2041-L2045 PolarHBondContact O-N 2.86Å; L2042-L2045 PolarHBondContact O-N 3.41Å; I2043-L2045 VanDerWaalsContact C-N 3.34Å; I2043-L2045 PolarHBondContact O-N 2.91Å; L2045-G2048 PolarHBondContact O-N 3.25Å; L2045-L2049 VanDerWaalsContact O-CB 3.26Å; L2045-L2049 WeakPolarHBondContact O-CB 3.26Å; L2045-L2049 PolarHBondContact O-N 2.85Å |
| 2046 | I | 79 | Confident | 76 | Confident | 95 Ų | 95 | 100.5 Ų | 100.5 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.4 | -70.3 | 165 | 0 | 0 | 0 | 111.1 | L2042 I2043 L2049 L2050 | L2042-I2046 VanDerWaalsContact O-CG1 3.25Å; L2042-I2046 WeakPolarHBondContact O-CG1 3.41Å; L2042-I2046 PolarHBondContact O-N 3.35Å; I2043-I2046 PolarHBondContact O-N 3.36Å; I2046-L2049 PolarHBondContact O-N 2.87Å; I2046-L2050 HydrophobicContact CG2-CD1 4.09Å; I2046-L2050 WeakPolarHBondContact O-CB 3.32Å; I2046-L2050 WeakPolarHBondContact O-CG 3.49Å; I2046-L2050 PolarHBondContact O-N 2.84Å |
| 2047 | I | 78.4 | Confident | 75.6 | Confident | 87 Ų | 87 | 93.5 Ų | 93.5 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 176.2 | -69 | 169.5 | 0 | 0 | 0 | 110.3 | I2043 F2044 L2049 L2050 I2051 | I2043-I2047 HydrophobicContact CG2-CD1 3.79Å; I2043-I2047 HydrophobicContact CG2-CG1 4.4Å; I2043-I2047 WeakPolarHBondContact O-CG1 3.42Å; I2043-I2047 PolarHBondContact O-N 3.32Å; F2044-I2047 PolarHBondContact O-N 3.46Å; I2047-L2049 VanDerWaalsContact C-N 3.3Å; I2047-L2049 PolarHBondContact O-N 3.41Å; I2047-L2050 PolarHBondContact O-N 2.89Å; I2047-I2051 HydrophobicContact CG2-CD1 3.92Å; I2047-I2051 HydrophobicContact CG2-CG1 4.49Å; I2047-I2051 WeakPolarHBondContact O-CG1 3.3Å; I2047-I2051 PolarHBondContact O-N 3.23Å |
| 2048 | G | 81 | Confident | 75.3 | Confident | 31 Ų | 31 | 92.3 Ų | 92.3 | 32% | 0.32 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2044 L2045 I2051 V2052 | F2044-G2048 PolarHBondContact O-N 3.35Å; L2045-G2048 PolarHBondContact O-N 3.25Å; G2048-I2051 PolarHBondContact O-N 2.86Å; G2048-V2052 VanDerWaalsContact O-CG2 3.3Å; G2048-V2052 WeakPolarHBondContact O-CG2 3.33Å; G2048-V2052 PolarHBondContact O-N 3.44Å |
| 2049 | L | 79.1 | Confident | 74.8 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 178.4 | -152.3 | 151.9 | 0 | 0 | 0 | 111.6 | L2045 I2046 I2047 V2052 L2053 | L2045-L2049 VanDerWaalsContact O-CB 3.26Å; L2045-L2049 WeakPolarHBondContact O-CB 3.26Å; L2045-L2049 PolarHBondContact O-N 2.85Å; I2046-L2049 PolarHBondContact O-N 2.87Å; I2047-L2049 VanDerWaalsContact C-N 3.3Å; I2047-L2049 PolarHBondContact O-N 3.41Å; L2049-V2052 PolarHBondContact O-N 3.31Å; L2049-L2053 HydrophobicContact CD2-CD1 3.58Å; L2049-L2053 HydrophobicContact CD2-CG 4.2Å; L2049-L2053 WeakPolarHBondContact O-CB 3.42Å; L2049-L2053 WeakPolarHBondContact O-CG 3.34Å; L2049-L2053 PolarHBondContact O-N 2.94Å |
| 2050 | L | 78.2 | Confident | 73.8 | Confident | 106 Ų | 106 | 95.7 Ų | 95.7 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 171.8 | -84.6 | 166 | 0 | 0 | 0 | 112.4 | I2046 I2047 L2053 F2054 | I2046-L2050 HydrophobicContact CG2-CD1 4.09Å; I2046-L2050 WeakPolarHBondContact O-CB 3.32Å; I2046-L2050 WeakPolarHBondContact O-CG 3.49Å; I2046-L2050 PolarHBondContact O-N 2.84Å; I2047-L2050 PolarHBondContact O-N 2.89Å; L2050-L2053 PolarHBondContact O-N 3.45Å; L2050-F2054 VanDerWaalsContact O-CB 3.23Å; L2050-F2054 WeakPolarHBondContact O-CB 3.35Å; L2050-F2054 PolarHBondContact O-N 2.92Å |
| 2051 | I | 77.2 | Confident | 73 | Confident | 99 Ų | 99 | 100 Ų | 100 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.6 | -68.9 | 167.1 | 0 | 0 | 0 | 110.2 | I2047 G2048 F2054 V2055 | I2047-I2051 HydrophobicContact CG2-CD1 3.92Å; I2047-I2051 HydrophobicContact CG2-CG1 4.49Å; I2047-I2051 WeakPolarHBondContact O-CG1 3.3Å; I2047-I2051 PolarHBondContact O-N 3.23Å; G2048-I2051 PolarHBondContact O-N 2.86Å; I2051-F2054 PolarHBondContact O-N 3.45Å; I2051-V2055 HydrophobicContact CG2-CG2 4.44Å; I2051-V2055 WeakPolarHBondContact O-CG2 3.44Å; I2051-V2055 PolarHBondContact O-N 3.45Å |
| 2052 | V | 78.5 | Confident | 72.1 | Confident | 102 Ų | 102 | 99.7 Ų | 99.7 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.6 | -45.2 | 176.1 | 171 | 0 | 0 | 0 | 0 | 110.8 | G2048 L2049 F2054 V2055 Y2056 | G2048-V2052 VanDerWaalsContact O-CG2 3.3Å; G2048-V2052 WeakPolarHBondContact O-CG2 3.33Å; G2048-V2052 PolarHBondContact O-N 3.44Å; L2049-V2052 PolarHBondContact O-N 3.31Å; V2052-F2054 VanDerWaalsContact C-N 3.32Å; V2052-F2054 PolarHBondContact O-N 2.81Å; V2052-V2055 PolarHBondContact O-N 3.44Å; V2052-Y2056 VanDerWaalsContact O-CB 3.24Å; V2052-Y2056 WeakPolarHBondContact O-CB 3.24Å; V2052-Y2056 PolarHBondContact O-N 2.88Å |
| 2053 | L | 73.2 | Confident | 71.3 | Confident | 95 Ų | 95 | 97.8 Ų | 97.8 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 174 | -84.5 | 166.2 | 0 | 0 | 0 | 112.2 | L2049 L2050 Y2056 A2057 | L2049-L2053 HydrophobicContact CD2-CD1 3.58Å; L2049-L2053 HydrophobicContact CD2-CG 4.2Å; L2049-L2053 WeakPolarHBondContact O-CB 3.42Å; L2049-L2053 WeakPolarHBondContact O-CG 3.34Å; L2049-L2053 PolarHBondContact O-N 2.94Å; L2050-L2053 PolarHBondContact O-N 3.45Å; L2053-Y2056 PolarHBondContact O-N 3.29Å; L2053-A2057 VanDerWaalsContact O-CB 3.29Å; L2053-A2057 WeakPolarHBondContact O-CB 3.23Å; L2053-A2057 PolarHBondContact O-N 3.45Å |
| 2054 | F | 72.2 | Confident | 70.2 | Confident | 143 Ų | 143 | 104.2 Ų | 104.2 | 63% | 0.627 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -47.2 | 178.5 | -174.4 | -100.6 | 0 | 0 | 0 | 111.6 | L2050 I2051 V2052 Y2056 A2057 I2058 | L2050-F2054 VanDerWaalsContact O-CB 3.23Å; L2050-F2054 WeakPolarHBondContact O-CB 3.35Å; L2050-F2054 PolarHBondContact O-N 2.92Å; I2051-F2054 PolarHBondContact O-N 3.45Å; V2052-F2054 VanDerWaalsContact C-N 3.32Å; V2052-F2054 PolarHBondContact O-N 2.81Å; F2054-Y2056 VanDerWaalsContact C-N 3.31Å; F2054-Y2056 PolarHBondContact O-N 3.19Å; F2054-A2057 PolarHBondContact O-N 3.21Å; F2054-I2058 HydrophobicContact CD1-CD1 3.97Å; F2054-I2058 HydrophobicContact CE1-CD1 3.7Å; F2054-I2058 HydrophobicContact CE1-CG1 4.4Å; F2054-I2058 HydrophobicContact CZ-CD1 4.36Å; F2054-I2058 WeakPolarHBondContact O-CG1 3.42Å; F2054-I2058 PolarHBondContact O-N 2.97Å |
| 2055 | V | 69.8 | Low | 69.1 | Low | 92 Ų | 92 | 105.5 Ų | 105.5 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | I2051 V2052 A2057 I2058 P2059 | I2051-V2055 HydrophobicContact CG2-CG2 4.44Å; I2051-V2055 WeakPolarHBondContact O-CG2 3.44Å; I2051-V2055 PolarHBondContact O-N 3.45Å; V2052-V2055 PolarHBondContact O-N 3.44Å; V2055-A2057 VanDerWaalsContact C-N 3.3Å; V2055-A2057 PolarHBondContact O-N 3.47Å; V2055-I2058 PolarHBondContact O-N 3.42Å; V2055-P2059 WeakPolarHBondContact O-CD 3.29Å |
| 2056 | Y | 70.6 | Confident | 68 | Low | 188 Ų | 188 | 108.5 Ų | 108.5 | 74% | 0.737 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.8 | -32.4 | 176.3 | -172.3 | -97.3 | 0 | 0 | 0 | 112.9 | V2052 L2053 F2054 | V2052-Y2056 VanDerWaalsContact O-CB 3.24Å; V2052-Y2056 WeakPolarHBondContact O-CB 3.24Å; V2052-Y2056 PolarHBondContact O-N 2.88Å; L2053-Y2056 PolarHBondContact O-N 3.29Å; F2054-Y2056 VanDerWaalsContact C-N 3.31Å; F2054-Y2056 PolarHBondContact O-N 3.19Å |
| 2057 | A | 65.7 | Low | 66.4 | Low | 42 Ų | 42 | 108.6 Ų | 108.6 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -84 | -12.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | L2053 F2054 V2055 P2060 | L2053-A2057 VanDerWaalsContact O-CB 3.29Å; L2053-A2057 WeakPolarHBondContact O-CB 3.23Å; L2053-A2057 PolarHBondContact O-N 3.45Å; F2054-A2057 PolarHBondContact O-N 3.21Å; V2055-A2057 VanDerWaalsContact C-N 3.3Å; V2055-A2057 PolarHBondContact O-N 3.47Å; A2057-P2060 WeakPolarHBondContact O-CD 3.43Å |
| 2058 | I | 65.8 | Low | 64.9 | Low | 65 Ų | 65 | 108.4 Ų | 108.4 | 33% | 0.333 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.5 | -46.9 | -177.1 | -78.2 | 168.2 | 0 | 0 | 0 | 114 | F2054 V2055 L2061 L2062 | F2054-I2058 HydrophobicContact CD1-CD1 3.97Å; F2054-I2058 HydrophobicContact CE1-CD1 3.7Å; F2054-I2058 HydrophobicContact CE1-CG1 4.4Å; F2054-I2058 HydrophobicContact CZ-CD1 4.36Å; F2054-I2058 WeakPolarHBondContact O-CG1 3.42Å; F2054-I2058 PolarHBondContact O-N 2.97Å; V2055-I2058 PolarHBondContact O-N 3.42Å; I2058-L2061 PolarHBondContact O-N 2.91Å; I2058-L2061 VanDerWaalsContact O-N 3.11Å; I2058-L2062 HydrophobicContact CG2-CD1 3.46Å; I2058-L2062 VanDerWaalsContact CG2-CD1 3.46Å; I2058-L2062 HydrophobicContact CG2-CG 4.16Å; I2058-L2062 PolarHBondContact O-N 3.11Å |
| 2059 | P | 61.1 | Low | 62.9 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -59.7 | -42.8 | -175.7 | -19.2 | 28.5 | 0 | 0 | 0 | 113.7 | V2055 L2061 L2062 A2063 | V2055-P2059 WeakPolarHBondContact O-CD 3.29Å; P2059-L2061 VanDerWaalsContact C-N 3.34Å; P2059-L2061 PolarHBondContact O-N 3.44Å; P2059-L2062 PolarHBondContact O-N 3.45Å; P2059-A2063 WeakPolarHBondContact O-CB 3.38Å; P2059-A2063 PolarHBondContact O-N 2.98Å |
| 2060 | P | 53.7 | Low | 62 | Low | 80 Ų | 80 | 116.9 Ų | 116.9 | 52% | 0.519 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.2 | -34.4 | 174.5 | -19.1 | 30.3 | 0 | 0 | 0 | 113.5 | A2057 R2064 | A2057-P2060 WeakPolarHBondContact O-CD 3.43Å; P2060-R2064 PolarHBondContact O-N 3.44Å; P2060-R2064 VanDerWaalsContact O-N 3.16Å |
| 2061 | L | 58.8 | Low | 61.2 | Low | 125 Ų | 125 | 117.5 Ų | 117.5 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.4 | -36.9 | 178.3 | -100.5 | 154.6 | 0 | 0 | 0 | 112.4 | I2058 P2059 K2065 | I2058-L2061 PolarHBondContact O-N 2.91Å; I2058-L2061 VanDerWaalsContact O-N 3.11Å; P2059-L2061 VanDerWaalsContact C-N 3.34Å; P2059-L2061 PolarHBondContact O-N 3.44Å; L2061-K2065 PolarHBondContact O-N 3.47Å |
| 2062 | L | 58.9 | Low | 60.3 | Low | 104 Ų | 104 | 118.5 Ų | 118.5 | 55% | 0.545 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.7 | -38.9 | 174.2 | -79 | 168.2 | 0 | 0 | 0 | 111.9 | I2058 P2059 R2064 K2065 M2066 | I2058-L2062 HydrophobicContact CG2-CD1 3.46Å; I2058-L2062 VanDerWaalsContact CG2-CD1 3.46Å; I2058-L2062 HydrophobicContact CG2-CG 4.16Å; I2058-L2062 PolarHBondContact O-N 3.11Å; P2059-L2062 PolarHBondContact O-N 3.45Å; L2062-R2064 VanDerWaalsContact C-N 3.34Å; L2062-R2064 PolarHBondContact O-N 3.1Å; L2062-K2065 PolarHBondContact O-N 3.08Å; L2062-K2065 VanDerWaalsContact O-N 3.08Å; L2062-M2066 PolarHBondContact O-N 3.44Å; L2062-M2066 VanDerWaalsContact O-N 3.1Å |
| 2063 | A | 58.9 | Low | 59.2 | Low | 58 Ų | 58 | 119.5 Ų | 119.5 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.3 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P2059 K2065 M2066 V2067 | P2059-A2063 WeakPolarHBondContact O-CB 3.38Å; P2059-A2063 PolarHBondContact O-N 2.98Å; A2063-K2065 PolarHBondContact O-N 3.16Å; A2063-M2066 PolarHBondContact O-N 3.31Å; A2063-V2067 PolarHBondContact O-N 3.23Å |
| 2064 | R | 55.8 | Low | 58.4 | Low | 223 Ų | 223 | 121 Ų | 121 | 84% | 0.842 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.3 | -20 | 174.1 | -95.8 | -176.5 | 173.6 | 169.7 | -0.4 | 114.6 | P2060 L2062 | P2060-R2064 PolarHBondContact O-N 3.44Å; P2060-R2064 VanDerWaalsContact O-N 3.16Å; L2062-R2064 VanDerWaalsContact C-N 3.34Å; L2062-R2064 PolarHBondContact O-N 3.1Å |
| 2065 | K | 56.6 | Low | 57.4 | Low | 186 Ų | 186 | 119.5 Ų | 119.5 | 81% | 0.809 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -93.8 | -24.1 | 179.2 | -129.1 | -179.1 | -177.2 | -178 | 0 | 113.1 | L2061 L2062 A2063 | L2061-K2065 PolarHBondContact O-N 3.47Å; L2062-K2065 PolarHBondContact O-N 3.08Å; L2062-K2065 VanDerWaalsContact O-N 3.08Å; A2063-K2065 PolarHBondContact O-N 3.16Å |
| 2066 | M | 54.6 | Low | 56.5 | Low | 173 Ų | 173 | 121.5 Ų | 121.5 | 85% | 0.852 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -88.9 | -30.5 | 178.9 | -85.8 | -169.6 | 153.4 | 0 | 0 | 113.9 | L2062 A2063 | L2062-M2066 PolarHBondContact O-N 3.44Å; L2062-M2066 VanDerWaalsContact O-N 3.1Å; A2063-M2066 PolarHBondContact O-N 3.31Å |
| 2067 | V | 46.8 | Very low | 55.5 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -99.6 | 97.6 | 170.6 | -171.8 | 0 | 0 | 0 | 0 | 106.6 | A2063 V2069 | A2063-V2067 PolarHBondContact O-N 3.23Å; V2067-V2069 HydrophobicContact CG1-CB 4.39Å; V2067-V2069 HydrophobicContact CG1-CG2 4.34Å; V2067-V2069 PolarHBondContact O-N 2.84Å |
| 2068 | G | 45.5 | Very low | 54.6 | Low | 83 Ų | 83 | 122.6 Ų | 122.6 | 86% | 0.856 | 68% | 0.683 | S | S | * | * | trans | -72.4 | 45.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2069 | V | 38.9 | Very low | 53.6 | Low | 194 Ų | 194 | 127.8 Ų | 127.8 | 100% | 1.176 | 71% | 0.714 | S | S | * | * | trans | -123.3 | 0 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 110 | V2067 | V2067-V2069 HydrophobicContact CG1-CB 4.39Å; V2067-V2069 HydrophobicContact CG1-CG2 4.34Å; V2067-V2069 PolarHBondContact O-N 2.84Å |
Retrieved 2,069 of 2,069 residues in 863.3 ms
(Link to these results)