| 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 | 60.1 | Low | 87.6 | Confident | 151 Ų | 151 | 36.9 Ų | 36.9 | 74% | 0.744 | 17% | 0.171 | S | C | * | . | 0 | 157.8 | 0 | -85.9 | 174.8 | -166.9 | 0 | 0 | 108.2 | |||||
| 2 | Y | 78.1 | Confident | 87.7 | Confident | 69 Ų | 69 | 37.1 Ų | 37.1 | 27% | 0.271 | 17% | 0.174 | S | C | . | . | trans | -88.5 | 123.7 | 163.2 | -67.5 | -77.4 | 0 | 0 | 0 | 107.8 | L57 P61 Y125 E126 F127 P128 | Y2-L57 WeakPolarHBondContact O-CB 3.31Å; Y2-L57 PolarHBondContact O-N 2.84Å; Y2-P61 HydrophobicContact CD1-CB 4.46Å; Y2-P61 HydrophobicContact CE1-CB 4.2Å; Y2-Y125 HydrophobicContact CD1-CE2 4.07Å; Y2-Y125 AromaticContact CD1-CZ 3.63Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.46Å; Y2-E126 WeakPolarHBondContact CA-O 3.43Å; Y2-F127 HydrophobicContact CE1-CB 4.43Å; Y2-F127 HydrophobicContact CE1-CD1 4.28Å; Y2-P128 HydrophobicContact CD1-CG 4.16Å; Y2-P128 HydrophobicContact CD2-CG 3.84Å; Y2-P128 HydrophobicContact CE1-CG 4.03Å; Y2-P128 HydrophobicContact CE2-CG 3.67Å; Y2-P128 HydrophobicContact CG-CG 4.08Å | ||
| 3 | A | 85.3 | Confident | 87.8 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I54 I55 Y125 E126 | A3-I54 HydrophobicContact CB-CG2 4.11Å; A3-I55 WeakPolarHBondContact CA-O 3.24Å; A3-Y125 WeakPolarHBondContact O-CD2 3.18Å; A3-E126 HydrophobicContact CB-CB 4.35Å; A3-E126 PolarHBondContact N-O 2.74Å; A3-E126 PolarHBondContact O-N 2.82Å |
| 4 | L | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119.6 | 170.8 | 176.2 | 65.8 | 0 | 0 | 0 | 108.6 | V6 F31 I55 L57 L62 L91 | L4-V6 HydrophobicContact CD2-CG2 4.16Å; L4-V6 HydrophobicContact CG-CG2 4Å; L4-F31 HydrophobicContact CD2-CD2 4.39Å; L4-F31 HydrophobicContact CD2-CG 4.49Å; L4-I55 HydrophobicContact CB-CB 4.4Å; L4-I55 PolarHBondContact N-O 3.11Å; L4-I55 PolarHBondContact O-N 2.9Å; L4-L57 HydrophobicContact CB-CD2 4.24Å; L4-L62 HydrophobicContact CD1-CD1 4.15Å; L4-L91 HydrophobicContact CD1-CD2 4.49Å; L4-L91 HydrophobicContact CD2-CD1 3.74Å; L4-L91 HydrophobicContact CD2-CD2 4.24Å |
| 5 | H | 90.8 | Very high | 87.4 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123 | 174.8 | -65.6 | -115.3 | 0 | 0 | 0 | 108.5 | E52 L123 R124 E126 | H5-E52 IonicContact CE1-OE1 2.71Å; H5-E52 IonicContact CG-OE1 3.67Å; H5-E52 IonicContact ND1-OE1 3.53Å; H5-E52 PolarHBondContact ND1-OE1 3.13Å; H5-L123 CarbonylContact O-C 3.48Å; H5-L123 VanDerWaalsContact O-CA 3.32Å; H5-L123 WeakPolarHBondContact O-CA 3.2Å; H5-R124 HydrophobicContact CB-CB 4.12Å; H5-R124 WeakPolarHBondContact CB-O 3.37Å; H5-R124 PolarHBondContact N-O 3.16Å; H5-R124 PolarHBondContact O-N 3.42Å; H5-E126 IonicContact NE2-OE2 3.34Å; H5-E126 PolarHBondContact NE2-OE2 3.15Å |
| 6 | V | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 100.9 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 108 | L4 V8 V29 I53 I55 I70 L123 | L4-V6 HydrophobicContact CD2-CG2 4.16Å; L4-V6 HydrophobicContact CG-CG2 4Å; V6-V8 HydrophobicContact CG1-CG2 4.22Å; V6-V29 HydrophobicContact CB-CG1 4.35Å; V6-V29 HydrophobicContact CG1-CG1 4.12Å; V6-V29 HydrophobicContact CG1-CG2 4.15Å; V6-V29 HydrophobicContact CG2-CG1 4.14Å; V6-I53 HydrophobicContact CB-CB 4.44Å; V6-I53 PolarHBondContact N-O 3.37Å; V6-I53 PolarHBondContact O-N 3.26Å; V6-I55 HydrophobicContact CG2-CD1 4.19Å; V6-I70 HydrophobicContact CG1-CD1 4.46Å; V6-L123 HydrophobicContact CB-CD2 3.98Å; V6-L123 HydrophobicContact CG1-CD2 3.74Å; V6-L123 HydrophobicContact CG2-CD2 3.69Å |
| 7 | N | 93.3 | Very high | 86.7 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 106.8 | 174 | -177.1 | -29.1 | 0 | 0 | 0 | 109.7 | K9 D50 E51 E52 L121 S122 | N7-K9 PolarHBondContact O-N 3.29Å; N7-D50 PolarHBondContact OD1-OD1 3.45Å; N7-E51 WeakPolarHBondContact CA-O 3.19Å; N7-E52 HydrophobicContact CB-CB 4.47Å; N7-L121 CarbonylContact O-C 3.57Å; N7-L121 WeakPolarHBondContact O-CA 3.25Å; N7-L121 WeakPolarHBondContact O-CB 3.39Å; N7-S122 PolarHBondContact N-O 3.43Å; N7-S122 PolarHBondContact O-N 3.12Å |
| 8 | V | 94.3 | Very high | 86 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 108 | 177.3 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | V6 V27 V29 T38 W49 D50 E51 I119 | V6-V8 HydrophobicContact CG1-CG2 4.22Å; V8-V27 HydrophobicContact CG1-CB 4.04Å; V8-V27 HydrophobicContact CG1-CG1 4.12Å; V8-V27 HydrophobicContact CG1-CG2 3.8Å; V8-V27 HydrophobicContact CG2-CG1 4.34Å; V8-V29 HydrophobicContact CG2-CG2 3.95Å; V8-T38 HydrophobicContact CB-CG2 4Å; V8-T38 HydrophobicContact CG1-CG2 4.22Å; V8-T38 HydrophobicContact CG2-CG2 4.16Å; V8-W49 HydrophobicContact CG1-CD2 4.42Å; V8-W49 HydrophobicContact CG1-CE3 3.83Å; V8-W49 HydrophobicContact CG1-CZ3 4.37Å; V8-D50 VanDerWaalsContact O-CA 3.28Å; V8-D50 WeakPolarHBondContact O-CA 3.43Å; V8-D50 PolarHBondContact O-N 2.69Å; V8-E51 PolarHBondContact N-O 2.64Å; V8-E51 PolarHBondContact O-N 3.33Å; V8-E51 VanDerWaalsContact O-N 3.08Å; V8-I119 HydrophobicContact CG1-CD1 4.35Å |
| 9 | K | 91.3 | Very high | 85.1 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -66.1 | -172.6 | -64.6 | -172.6 | 175.8 | -178.3 | 0 | 112.1 | N7 V48 W49 D50 E120 S122 | N7-K9 PolarHBondContact O-N 3.29Å; K9-V48 CarbonylContact O-C 3.07Å; K9-W49 PolarHBondContact O-N 2.78Å; K9-D50 PolarHBondContact O-N 2.81Å; K9-E120 WeakPolarHBondContact CA-O 3.43Å; K9-E120 HydrophobicContact CB-CB 4.47Å; K9-E120 WeakPolarHBondContact CB-O 3.34Å; K9-E120 PolarHBondContact N-O 2.86Å; K9-S122 VanDerWaalsContact CE-OG 3.31Å; K9-S122 WeakPolarHBondContact CE-OG 3.35Å |
| 10 | K | 93.3 | Very high | 84.1 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 162.4 | -175.8 | 61.8 | 174.1 | -180 | 165.4 | 0 | 112.6 | P47 V48 E120 | K10-P47 CarbonylContact C-O 3.52Å; K10-P47 WeakPolarHBondContact CA-O 3.41Å; K10-P47 WeakPolarHBondContact CB-O 3.37Å; K10-V48 HydrophobicContact CB-CB 4.24Å; K10-V48 HydrophobicContact CB-CG1 4.33Å; K10-V48 HydrophobicContact CB-CG2 3.89Å; K10-V48 HydrophobicContact CD-CG2 4.45Å; K10-E120 WeakPolarHBondContact CE-OE1 3.49Å; K10-E120 WeakPolarHBondContact CE-OE2 3.26Å; K10-E120 HydrophobicContact CG-CB 4.07Å; K10-E120 PolarHBondContact N-O 2.85Å; K10-E120 IonicContact NZ-OE1 2.84Å; K10-E120 PolarHBondContact NZ-OE1 3.39Å; K10-E120 IonicContact NZ-OE2 2.7Å; K10-E120 PolarHBondContact O-N 2.79Å |
| 11 | A | 93.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110 | L14 N46 P47 W49 T118 I119 | A11-L14 HydrophobicContact CB-CD1 3.99Å; A11-L14 HydrophobicContact CB-CD2 4.03Å; A11-L14 HydrophobicContact CB-CG 3.99Å; A11-N46 CarbonylContact O-C 3.53Å; A11-N46 WeakPolarHBondContact O-CA 3.37Å; A11-P47 HydrophobicContact CB-CG 4.09Å; A11-P47 PolarHBondContact N-O 3.13Å; A11-W49 HydrophobicContact CB-CH2 3.81Å; A11-W49 HydrophobicContact CB-CZ3 3.66Å; A11-T118 CarbonylContact C-O 3.56Å; A11-T118 WeakPolarHBondContact CA-O 3.3Å; A11-T118 WeakPolarHBondContact CB-O 3.33Å; A11-I119 HydrophobicContact CB-CB 4.48Å; A11-I119 HydrophobicContact CB-CG1 4.44Å |
| 12 | N | 89.3 | Confident | 84.8 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.5 | 176.8 | -50.4 | -69.7 | 0 | 0 | 0 | 110.2 | L14 N46 S117 T118 | N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 3.45Å; N12-N46 WeakPolarHBondContact CA-OD1 2.98Å; N12-S117 VanDerWaalsContact O-CA 3.29Å; N12-S117 WeakPolarHBondContact O-CA 3.46Å; N12-T118 PolarHBondContact N-O 3.31Å; N12-T118 PolarHBondContact ND2-OG1 2.84Å; N12-T118 PolarHBondContact O-N 2.68Å |
| 13 | N | 88.9 | Confident | 85.2 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 54.2 | 41.3 | 176.2 | -67.8 | -22.2 | 0 | 0 | 0 | 114.1 | N46 S117 | N13-N46 PolarHBondContact N-OD1 3.47Å; N13-S117 WeakPolarHBondContact O-CB 3.46Å; N13-S117 PolarHBondContact O-OG 2.85Å |
| 14 | L | 88.9 | Confident | 85.5 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 141.2 | 171.7 | -65.9 | 177.2 | 0 | 0 | 0 | 110.4 | A11 N12 N16 P25 L45 P47 V72 M84 L107 | A11-L14 HydrophobicContact CB-CD1 3.99Å; A11-L14 HydrophobicContact CB-CD2 4.03Å; A11-L14 HydrophobicContact CB-CG 3.99Å; N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 3.45Å; L14-N16 PolarHBondContact O-N 3.04Å; L14-P25 HydrophobicContact CD1-CB 3.58Å; L14-P25 HydrophobicContact CD1-CG 3.74Å; L14-L45 HydrophobicContact CB-CB 4.47Å; L14-L45 WeakPolarHBondContact CB-O 3.28Å; L14-L45 PolarHBondContact N-O 2.88Å; L14-P47 HydrophobicContact CD1-CG 3.61Å; L14-V72 HydrophobicContact CD1-CG1 3.94Å; L14-V72 HydrophobicContact CD2-CB 4.48Å; L14-V72 HydrophobicContact CD2-CG1 3.88Å; L14-M84 HydrophobicContact CB-CE 3.82Å; L14-M84 HydrophobicContact CD1-CE 4.35Å; L14-L107 HydrophobicContact CD2-CD1 3.8Å |
| 15 | K | 80.5 | Confident | 85.7 | Confident | 145 Ų | 145 | 52 Ų | 52 | 63% | 0.63 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 126.3 | 176.4 | -178.1 | -178.9 | 178.4 | -178.7 | 0 | 109.5 | I17 M84 | K15-I17 HydrophobicContact CB-CG2 4.44Å; K15-I17 HydrophobicContact CD-CG2 3.92Å; K15-I17 HydrophobicContact CG-CG2 3.92Å; K15-I17 PolarHBondContact O-N 3.23Å; K15-M84 WeakPolarHBondContact O-CE 3.39Å |
| 16 | N | 82.8 | Confident | 85.9 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 119.7 | 167.3 | -165.4 | 7.9 | 0 | 0 | 0 | 109.5 | L14 E18 G21 K22 S23 L45 | L14-N16 PolarHBondContact O-N 3.04Å; N16-E18 PolarHBondContact OD1-N 2.81Å; N16-G21 PolarHBondContact ND2-O 2.85Å; N16-K22 WeakPolarHBondContact OD1-CA 3.48Å; N16-S23 PolarHBondContact OD1-N 2.98Å; N16-S23 VanDerWaalsContact OD1-N 3.1Å; N16-S23 PolarHBondContact OD1-OG 2.79Å; N16-L45 HydrophobicContact CB-CD1 3.84Å; N16-L45 HydrophobicContact CB-CD2 3.98Å |
| 17 | I | 81.1 | Confident | 86.1 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 22% | 0.221 | 27% | 0.273 | C | S | . | . | trans | -114.7 | -0.2 | 177.2 | 61 | 179.6 | 0 | 0 | 0 | 113.2 | K15 S23 D74 K82 M84 | K15-I17 HydrophobicContact CB-CG2 4.44Å; K15-I17 HydrophobicContact CD-CG2 3.92Å; K15-I17 HydrophobicContact CG-CG2 3.92Å; K15-I17 PolarHBondContact O-N 3.23Å; I17-S23 WeakPolarHBondContact CG1-OG 3.34Å; I17-S23 PolarHBondContact N-OG 2.7Å; I17-D74 HydrophobicContact CD1-CB 3.69Å; I17-D74 HydrophobicContact CG1-CB 4.03Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.35Å; I17-K82 HydrophobicContact CD1-CB 3.38Å; I17-K82 HydrophobicContact CD1-CD 4.07Å; I17-K82 HydrophobicContact CD1-CG 4.39Å; I17-K82 HydrophobicContact CG1-CB 4.44Å; I17-K82 HydrophobicContact CG1-CD 4.36Å; I17-M84 HydrophobicContact CD1-CG 3.83Å | ||
| 18 | E | 72.8 | Confident | 86.2 | Confident | 43 Ų | 43 | 52 Ų | 52 | 20% | 0.201 | 27% | 0.274 | C | S | . | . | trans | -81.8 | 142.4 | 172.8 | -73.9 | -50.7 | 119.6 | 0 | 0 | 112.8 | N16 K82 | N16-E18 PolarHBondContact OD1-N 2.81Å; E18-K82 IonicContact OE1-NZ 2.68Å; E18-K82 PolarHBondContact OE1-NZ 3.25Å; E18-K82 IonicContact OE2-NZ 3.56Å | ||
| 19 | I | 69.5 | Low | 86.2 | Confident | 176 Ų | 176 | 52 Ų | 52 | 90% | 0.903 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -76.1 | -30.4 | 179.7 | -61.2 | 173.6 | 0 | 0 | 0 | 110.6 | ||
| 20 | S | 66 | Low | 86.3 | Confident | 113 Ų | 113 | 49.9 Ų | 49.9 | 79% | 0.79 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -141.2 | 120.8 | 177.7 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 21 | G | 75.7 | Confident | 86.2 | Confident | 41 Ų | 41 | 47 Ų | 47 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 101.1 | -172.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N16 | N16-G21 PolarHBondContact ND2-O 2.85Š|
| 22 | K | 81.6 | Confident | 85.7 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | trans | -102.7 | 160.8 | 165.7 | -72.7 | 170.3 | 176.6 | 178.4 | 0 | 108 | N16 D43 L45 | N16-K22 WeakPolarHBondContact OD1-CA 3.48Å; K22-D43 HydrophobicContact CB-CB 4.25Å; K22-D43 WeakPolarHBondContact CD-O 3.3Å; K22-D43 PolarHBondContact N-OD1 2.74Å; K22-D43 VanDerWaalsContact O-OD1 3.11Å; K22-L45 HydrophobicContact CB-CD2 4.38Å; K22-L45 HydrophobicContact CB-CG 4.27Å; K22-L45 HydrophobicContact CD-CG 4.35Å; K22-L45 HydrophobicContact CG-CD1 4.32Å; K22-L45 HydrophobicContact CG-CG 4.23Å | ||
| 23 | S | 87.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -59.3 | 150.1 | 170.7 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | N16 I17 P25 D44 D74 M84 | N16-S23 PolarHBondContact OD1-N 2.98Å; N16-S23 VanDerWaalsContact OD1-N 3.1Å; N16-S23 PolarHBondContact OD1-OG 2.79Å; I17-S23 WeakPolarHBondContact CG1-OG 3.34Å; I17-S23 PolarHBondContact N-OG 2.7Å; S23-P25 WeakPolarHBondContact O-CD 3.43Å; S23-D44 PolarHBondContact O-N 3.29Å; S23-D44 VanDerWaalsContact O-N 3.09Å; S23-D74 WeakPolarHBondContact CA-OD1 3.45Å; S23-D74 VanDerWaalsContact CB-CG 3.41Å; S23-D74 WeakPolarHBondContact CB-OD1 3.43Å; S23-D74 WeakPolarHBondContact CB-OD2 3.24Å; S23-D74 PolarHBondContact OG-OD2 2.8Å; S23-M84 VanDerWaalsContact CB-CE 3.49Å | ||
| 24 | D | 91.2 | Very high | 85 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | trans | -104.1 | 71.6 | 177.4 | -64.2 | -27.7 | 0 | 0 | 0 | 110.4 | V40 K41 D42 D43 D74 F75 | D24-V40 HydrophobicContact CB-CG1 3.89Å; D24-V40 WeakPolarHBondContact O-CG1 3.05Å; D24-K41 CarbonylContact C-O 3.58Å; D24-K41 VanDerWaalsContact CA-O 3.25Å; D24-K41 WeakPolarHBondContact CA-O 3.23Å; D24-D42 WeakPolarHBondContact OD1-CA 3.31Å; D24-D43 PolarHBondContact OD1-N 2.79Å; D24-D74 WeakPolarHBondContact CA-OD1 3.41Å; D24-D74 PolarHBondContact N-OD1 3.44Å; D24-F75 HydrophobicContact CB-CB 4.27Å; D24-F75 WeakPolarHBondContact O-CB 3.44Å; D24-F75 PolarHBondContact O-N 3.19Å | ||
| 25 | P | 93.7 | Very high | 85 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.7 | -167.8 | 30.5 | -40.5 | 0 | 0 | 0 | 115.4 | L14 S23 K41 D44 P47 W49 V72 M73 M84 | L14-P25 HydrophobicContact CD1-CB 3.58Å; L14-P25 HydrophobicContact CD1-CG 3.74Å; S23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-K41 WeakPolarHBondContact CD-O 3.38Å; P25-K41 PolarHBondContact O-N 3.38Å; P25-D44 WeakPolarHBondContact CD-O 2.98Å; P25-D44 WeakPolarHBondContact CG-O 3.4Å; 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 4.3Å; P25-W49 PolarHBondContact O-NE1 2.93Å; P25-V72 HydrophobicContact CB-CG1 4.24Å; P25-M73 CarbonylContact C-O 2.86Å; P25-M73 WeakPolarHBondContact CA-O 3.4Å; P25-M84 HydrophobicContact CB-SD 3.95Å |
| 26 | Y | 96.1 | Very high | 85.4 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 162.6 | 165.1 | 73.2 | -80.9 | 0 | 0 | 0 | 111.2 | V28 K37 V40 M73 F75 D81 | Y26-V28 HydrophobicContact CD2-CG2 4.16Å; Y26-V28 HydrophobicContact CE2-CG2 3.54Å; Y26-K37 HydrophobicContact CD2-CB 4.01Å; Y26-K37 HydrophobicContact CD2-CD 4.28Å; Y26-K37 HydrophobicContact CE2-CB 4.18Å; Y26-K37 HydrophobicContact CE2-CD 4.06Å; Y26-V40 HydrophobicContact CD1-CG2 4.03Å; Y26-V40 HydrophobicContact CG-CG2 4.17Å; Y26-M73 HydrophobicContact CD1-CB 3.97Å; Y26-M73 HydrophobicContact CE1-CB 3.39Å; Y26-M73 HydrophobicContact CE1-CG 4.38Å; Y26-M73 HydrophobicContact CE2-CB 4.07Å; Y26-M73 HydrophobicContact CE2-CG 4.3Å; Y26-M73 VanDerWaalsContact CZ-CB 3.42Å; Y26-M73 PolarHBondContact N-O 2.86Å; Y26-M73 PolarHBondContact O-N 3.34Å; Y26-F75 HydrophobicContact CD1-CB 3.96Å; Y26-F75 HydrophobicContact CE1-CB 4.11Å; Y26-D81 HydrophobicContact CE1-CB 4.24Å; Y26-D81 PolarHBondContact OH-OD2 2.94Å |
| 27 | V | 96.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.3 | -176.4 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | V8 V29 K37 T38 W49 I70 K71 V72 I119 | V8-V27 HydrophobicContact CG1-CB 4.04Å; V8-V27 HydrophobicContact CG1-CG1 4.12Å; V8-V27 HydrophobicContact CG1-CG2 3.8Å; V8-V27 HydrophobicContact CG2-CG1 4.34Å; V27-V29 HydrophobicContact CG1-CG2 4.49Å; V27-K37 CarbonylContact O-C 3.46Å; V27-K37 WeakPolarHBondContact O-CA 3.35Å; V27-T38 HydrophobicContact CB-CG2 4.03Å; V27-T38 PolarHBondContact N-OG1 2.88Å; V27-T38 PolarHBondContact O-N 3.15Å; V27-W49 HydrophobicContact CG2-CD2 4.07Å; V27-W49 HydrophobicContact CG2-CE3 3.86Å; V27-W49 HydrophobicContact CG2-CH2 3.34Å; V27-W49 HydrophobicContact CG2-CZ2 3.6Å; V27-W49 HydrophobicContact CG2-CZ3 3.48Å; V27-W49 VanDerWaalsContact CG2-CZ3 3.48Å; V27-I70 HydrophobicContact CG1-CG2 3.49Å; V27-I70 VanDerWaalsContact CG1-CG2 3.49Å; V27-K71 CarbonylContact C-O 3.48Å; V27-K71 WeakPolarHBondContact CA-O 3.44Å; V27-V72 HydrophobicContact CG2-CG2 4.25Å; V27-I119 HydrophobicContact CG1-CD1 4.07Å; V27-I119 HydrophobicContact CG2-CD1 3.8Å |
| 28 | V | 96 | Very high | 86.5 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.9 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | Y26 K35 Q36 K37 I70 K71 M73 | Y26-V28 HydrophobicContact CD2-CG2 4.16Å; Y26-V28 HydrophobicContact CE2-CG2 3.54Å; V28-K35 HydrophobicContact CG1-CB 4.42Å; V28-Q36 CarbonylContact C-O 3.5Å; V28-Q36 WeakPolarHBondContact CA-O 3.39Å; V28-K37 HydrophobicContact CG2-CB 4.28Å; V28-I70 WeakPolarHBondContact O-CA 3.43Å; V28-K71 HydrophobicContact CB-CB 4.38Å; V28-K71 PolarHBondContact N-O 2.95Å; V28-K71 PolarHBondContact O-N 2.9Å; V28-M73 HydrophobicContact CG2-CG 4.24Å |
| 29 | V | 94.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.3 | 173.1 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | V6 V8 V27 K35 Q36 I53 I55 V68 I70 | V6-V29 HydrophobicContact CB-CG1 4.35Å; V6-V29 HydrophobicContact CG1-CG1 4.12Å; V6-V29 HydrophobicContact CG1-CG2 4.15Å; V6-V29 HydrophobicContact CG2-CG1 4.14Å; V8-V29 HydrophobicContact CG2-CG2 3.95Å; V27-V29 HydrophobicContact CG1-CG2 4.49Å; V29-K35 VanDerWaalsContact O-CA 3.31Å; V29-K35 WeakPolarHBondContact O-CA 3.37Å; V29-Q36 PolarHBondContact N-O 3.27Å; V29-Q36 PolarHBondContact O-N 3.39Å; V29-I53 HydrophobicContact CB-CD1 4.24Å; V29-I53 HydrophobicContact CG2-CD1 3.59Å; V29-I55 HydrophobicContact CG1-CD1 3.96Å; V29-V68 HydrophobicContact CG1-CG2 3.65Å; V29-I70 HydrophobicContact CB-CD1 4.18Å; V29-I70 HydrophobicContact CG1-CD1 3.91Å; V29-I70 HydrophobicContact CG2-CD1 3.77Å |
| 30 | D | 93.2 | Very high | 88.5 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.1 | 179.6 | -171.4 | -3.2 | 0 | 0 | 0 | 110 | G33 Q34 K35 L69 | D30-G33 WeakPolarHBondContact OD1-CA 3.39Å; D30-G33 PolarHBondContact OD1-N 2.88Å; D30-Q34 WeakPolarHBondContact CA-O 3.42Å; D30-K35 HydrophobicContact CB-CG 3.95Å; D30-K35 WeakPolarHBondContact OD2-CE 3.5Å; D30-K35 IonicContact OD2-NZ 2.78Å; D30-L69 HydrophobicContact CB-CB 4.33Å; D30-L69 PolarHBondContact N-O 3.38Å; D30-L69 PolarHBondContact O-N 2.65Å |
| 31 | F | 90.7 | Very high | 89.5 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 115.9 | 174.2 | -179.7 | -99.5 | 0 | 0 | 0 | 109.6 | L4 G33 Q34 I55 L57 L62 D66 N67 V68 L91 | L4-F31 HydrophobicContact CD2-CD2 4.39Å; L4-F31 HydrophobicContact CD2-CG 4.49Å; F31-G33 PolarHBondContact O-N 3.27Å; F31-G33 VanDerWaalsContact O-N 3.07Å; F31-Q34 PolarHBondContact N-O 2.98Å; F31-Q34 VanDerWaalsContact N-O 3.15Å; F31-Q34 WeakPolarHBondContact O-CB 3.42Å; F31-Q34 PolarHBondContact O-N 3.01Å; F31-I55 HydrophobicContact CB-CD1 3.72Å; F31-I55 HydrophobicContact CB-CG2 4.46Å; F31-I55 HydrophobicContact CD1-CG2 4.16Å; F31-L57 HydrophobicContact CD1-CD2 3.95Å; F31-L57 HydrophobicContact CE1-CD2 3.53Å; F31-L57 HydrophobicContact CZ-CD2 4.37Å; F31-L62 HydrophobicContact CE1-CD2 4.29Å; F31-L62 HydrophobicContact CE2-CD2 3.9Å; F31-L62 HydrophobicContact CZ-CD2 3.46Å; F31-L62 VanDerWaalsContact CZ-CD2 3.46Å; F31-D66 HydrophobicContact CE2-CB 4.08Å; F31-D66 HydrophobicContact CZ-CB 4.37Å; F31-N67 WeakPolarHBondContact CD2-O 3.31Å; F31-V68 HydrophobicContact CB-CG2 4.2Å; F31-V68 HydrophobicContact CD2-CB 4.32Å; F31-L91 HydrophobicContact CD2-CD1 3.9Å; F31-L91 HydrophobicContact CE2-CD1 3.47Å; F31-L91 VanDerWaalsContact CE2-CD1 3.47Å; F31-L91 HydrophobicContact CZ-CD1 4.33Å |
| 32 | Q | 83.3 | Confident | 90 | Very high | 133 Ų | 133 | 58.3 Ų | 58.3 | 62% | 0.621 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 38.2 | -179.6 | -62.1 | -175.9 | -7.8 | 0 | 0 | 113.3 | D66 | Q32-D66 PolarHBondContact NE2-OD1 3.43Š|
| 33 | G | 79.8 | Confident | 90.1 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 63% | 0.629 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -7.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D30 F31 K35 | D30-G33 WeakPolarHBondContact OD1-CA 3.39Å; D30-G33 PolarHBondContact OD1-N 2.88Å; F31-G33 PolarHBondContact O-N 3.27Å; F31-G33 VanDerWaalsContact O-N 3.07Å; G33-K35 PolarHBondContact O-N 3.38Å |
| 34 | Q | 83.1 | Confident | 90.1 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 106.2 | 170.4 | -64.4 | -167.1 | 33.6 | 0 | 0 | 110 | D30 F31 I55 D56 | D30-Q34 WeakPolarHBondContact CA-O 3.42Å; F31-Q34 PolarHBondContact N-O 2.98Å; F31-Q34 VanDerWaalsContact N-O 3.15Å; F31-Q34 WeakPolarHBondContact O-CB 3.42Å; F31-Q34 PolarHBondContact O-N 3.01Å; Q34-I55 HydrophobicContact CB-CG2 4.29Å; Q34-D56 PolarHBondContact NE2-O 2.91Å |
| 35 | K | 90.1 | Very high | 90 | Very high | 140 Ų | 140 | 60.2 Ų | 60.2 | 61% | 0.609 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.7 | -179.3 | -67 | 174.8 | 179.8 | 170 | 0 | 111.5 | V28 V29 D30 G33 | V28-K35 HydrophobicContact CG1-CB 4.42Å; V29-K35 VanDerWaalsContact O-CA 3.31Å; V29-K35 WeakPolarHBondContact O-CA 3.37Å; D30-K35 HydrophobicContact CB-CG 3.95Å; D30-K35 WeakPolarHBondContact OD2-CE 3.5Å; D30-K35 IonicContact OD2-NZ 2.78Å; G33-K35 PolarHBondContact O-N 3.38Å |
| 36 | Q | 89.5 | Confident | 89.8 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 156.1 | 167.7 | -71.1 | -171 | 42.9 | 0 | 0 | 109.8 | V28 V29 I53 I54 | V28-Q36 CarbonylContact C-O 3.5Å; V28-Q36 WeakPolarHBondContact CA-O 3.39Å; V29-Q36 PolarHBondContact N-O 3.27Å; V29-Q36 PolarHBondContact O-N 3.39Å; Q36-I53 HydrophobicContact CB-CD1 4.29Å; Q36-I53 HydrophobicContact CB-CG2 3.73Å; Q36-I53 HydrophobicContact CG-CG2 4.25Å; Q36-I54 PolarHBondContact NE2-O 2.86Å |
| 37 | K | 92.1 | Very high | 89.7 | Confident | 138 Ų | 138 | 62.8 Ų | 62.8 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.9 | -178.2 | 66.5 | 176.7 | -177 | 174.1 | 0 | 112.1 | Y26 V27 V28 | Y26-K37 HydrophobicContact CD2-CB 4.01Å; Y26-K37 HydrophobicContact CD2-CD 4.28Å; Y26-K37 HydrophobicContact CE2-CB 4.18Å; Y26-K37 HydrophobicContact CE2-CD 4.06Å; V27-K37 CarbonylContact O-C 3.46Å; V27-K37 WeakPolarHBondContact O-CA 3.35Å; V28-K37 HydrophobicContact CG2-CB 4.28Å |
| 38 | T | 94.7 | Very high | 89.4 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 171 | 171.2 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | V8 V27 W49 E51 I53 | V8-T38 HydrophobicContact CB-CG2 4Å; V8-T38 HydrophobicContact CG1-CG2 4.22Å; V8-T38 HydrophobicContact CG2-CG2 4.16Å; V27-T38 HydrophobicContact CB-CG2 4.03Å; V27-T38 PolarHBondContact N-OG1 2.88Å; V27-T38 PolarHBondContact O-N 3.15Å; T38-W49 HydrophobicContact CG2-CB 4.48Å; T38-W49 HydrophobicContact CG2-CG 4.39Å; T38-W49 PolarHBondContact OG1-NE1 3.45Å; T38-E51 WeakPolarHBondContact CA-OE2 3.47Å; T38-E51 VanDerWaalsContact CB-OE2 3.26Å; T38-E51 WeakPolarHBondContact CB-OE2 3.49Å; T38-E51 HydrophobicContact CG2-CB 4.26Å; T38-I53 HydrophobicContact CG2-CD1 4.05Å |
| 39 | K | 90.4 | Very high | 89.3 | Confident | 143 Ų | 143 | 65.9 Ų | 65.9 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 147.3 | 165.6 | -69.2 | -174.5 | -161.6 | 98 | 0 | 111.2 | W49 E51 | K39-W49 PolarHBondContact O-NE1 3.46Å; K39-E51 VanDerWaalsContact CD-OE1 3.26Å; K39-E51 WeakPolarHBondContact CD-OE1 3.33Å; K39-E51 WeakPolarHBondContact CE-OE1 3.47Å; K39-E51 WeakPolarHBondContact CG-OE1 3.27Å; K39-E51 PolarHBondContact N-OE2 3.4Å; K39-E51 IonicContact NZ-OE1 3.97Å; K39-E51 PolarHBondContact NZ-OE1 2.69Å |
| 40 | V | 92.8 | Very high | 89.1 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 141.3 | 171.3 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | D24 Y26 F75 | D24-V40 HydrophobicContact CB-CG1 3.89Å; D24-V40 WeakPolarHBondContact O-CG1 3.05Å; Y26-V40 HydrophobicContact CD1-CG2 4.03Å; Y26-V40 HydrophobicContact CG-CG2 4.17Å; V40-F75 HydrophobicContact CB-CB 4.33Å; V40-F75 HydrophobicContact CG1-CB 3.57Å; V40-F75 HydrophobicContact CG1-CD1 4.01Å; V40-F75 HydrophobicContact CG1-CG 4.01Å; V40-F75 HydrophobicContact CG2-CB 3.73Å; V40-F75 HydrophobicContact CG2-CD1 4.27Å; V40-F75 HydrophobicContact CG2-CD2 4.15Å; V40-F75 HydrophobicContact CG2-CG 3.78Å |
| 41 | K | 88.1 | Confident | 88.9 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | trans | -114.9 | 106.3 | 174.9 | -70.7 | -74.4 | 172.8 | 157 | 0 | 109.3 | D24 P25 P47 V48 | D24-K41 CarbonylContact C-O 3.58Å; D24-K41 VanDerWaalsContact CA-O 3.25Å; D24-K41 WeakPolarHBondContact CA-O 3.23Å; P25-K41 WeakPolarHBondContact CD-O 3.38Å; P25-K41 PolarHBondContact O-N 3.38Å; K41-P47 HydrophobicContact CB-CB 3.92Å; K41-P47 HydrophobicContact CG-CB 4.01Å; K41-V48 WeakPolarHBondContact CE-O 3.07Å; K41-V48 PolarHBondContact NZ-O 3.04Å | ||
| 42 | D | 84.5 | Confident | 89 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 65% | 0.647 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 135.3 | -175.5 | -55.1 | -10.8 | 0 | 0 | 0 | 111.8 | D24 D44 | D24-D42 WeakPolarHBondContact OD1-CA 3.31Å; D42-D44 PolarHBondContact O-N 3.05Å |
| 43 | D | 83.8 | Confident | 89.3 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 40.1 | 173.2 | -83.7 | -48.3 | 0 | 0 | 0 | 115.7 | K22 D24 | K22-D43 HydrophobicContact CB-CB 4.25Å; K22-D43 WeakPolarHBondContact CD-O 3.3Å; K22-D43 PolarHBondContact N-OD1 2.74Å; K22-D43 VanDerWaalsContact O-OD1 3.11Å; D24-D43 PolarHBondContact OD1-N 2.79Å |
| 44 | D | 89 | Confident | 89.7 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | trans | -133.5 | 116.3 | -175.3 | -164 | -3.8 | 0 | 0 | 0 | 114.1 | S23 P25 D42 N46 P47 | S23-D44 PolarHBondContact O-N 3.29Å; S23-D44 VanDerWaalsContact O-N 3.09Å; P25-D44 WeakPolarHBondContact CD-O 2.98Å; P25-D44 WeakPolarHBondContact CG-O 3.4Å; D42-D44 PolarHBondContact O-N 3.05Å; D44-N46 PolarHBondContact OD1-N 2.89Å; D44-P47 WeakPolarHBondContact OD2-CA 3.45Å | ||
| 45 | L | 87.6 | Confident | 89.9 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -89.6 | -4.7 | 177 | -57.4 | 177 | 0 | 0 | 0 | 113.5 | L14 N16 K22 | L14-L45 HydrophobicContact CB-CB 4.47Å; L14-L45 WeakPolarHBondContact CB-O 3.28Å; L14-L45 PolarHBondContact N-O 2.88Å; N16-L45 HydrophobicContact CB-CD1 3.84Å; N16-L45 HydrophobicContact CB-CD2 3.98Å; K22-L45 HydrophobicContact CB-CD2 4.38Å; K22-L45 HydrophobicContact CB-CG 4.27Å; K22-L45 HydrophobicContact CD-CG 4.35Å; K22-L45 HydrophobicContact CG-CD1 4.32Å; K22-L45 HydrophobicContact CG-CG 4.23Å |
| 46 | N | 91.1 | Very high | 89.6 | Confident | 71 Ų | 71 | 64 Ų | 64 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -127.5 | 53.9 | 172.9 | -58.1 | -82.8 | 0 | 0 | 0 | 110.2 | A11 N12 N13 D44 | A11-N46 CarbonylContact O-C 3.53Å; A11-N46 WeakPolarHBondContact O-CA 3.37Å; N12-N46 WeakPolarHBondContact CA-OD1 2.98Å; N13-N46 PolarHBondContact N-OD1 3.47Å; D44-N46 PolarHBondContact OD1-N 2.89Å |
| 47 | P | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -64.8 | 139.5 | -169.4 | 31.2 | -40.1 | 0 | 0 | 0 | 111.7 | K10 A11 L14 P25 K41 D44 W49 | K10-P47 CarbonylContact C-O 3.52Å; K10-P47 WeakPolarHBondContact CA-O 3.41Å; K10-P47 WeakPolarHBondContact CB-O 3.37Å; A11-P47 HydrophobicContact CB-CG 4.09Å; A11-P47 PolarHBondContact N-O 3.13Å; L14-P47 HydrophobicContact CD1-CG 3.61Å; 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 3.92Å; K41-P47 HydrophobicContact CG-CB 4.01Å; D44-P47 WeakPolarHBondContact OD2-CA 3.45Å; P47-W49 HydrophobicContact CB-CD2 4.41Å; P47-W49 HydrophobicContact CB-CH2 3.93Å; P47-W49 HydrophobicContact CB-CZ2 3.71Å; P47-W49 HydrophobicContact CB-CZ3 4.34Å; P47-W49 HydrophobicContact CG-CE3 4.4Å; P47-W49 HydrophobicContact CG-CH2 3.18Å; P47-W49 HydrophobicContact CG-CZ2 3.4Å; P47-W49 HydrophobicContact CG-CZ3 3.74Å | ||
| 48 | V | 91.5 | Very high | 88.7 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 112.9 | 169.2 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | K9 K10 K41 | K9-V48 CarbonylContact O-C 3.07Å; K10-V48 HydrophobicContact CB-CB 4.24Å; K10-V48 HydrophobicContact CB-CG1 4.33Å; K10-V48 HydrophobicContact CB-CG2 3.89Å; K10-V48 HydrophobicContact CD-CG2 4.45Å; K41-V48 WeakPolarHBondContact CE-O 3.07Å; K41-V48 PolarHBondContact NZ-O 3.04Å |
| 49 | W | 92.8 | Very high | 87.6 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -52.6 | 177.2 | -63.1 | -81.9 | 0 | 0 | 0 | 111.4 | V8 K9 A11 P25 V27 T38 K39 P47 E51 V72 I119 | V8-W49 HydrophobicContact CG1-CD2 4.42Å; V8-W49 HydrophobicContact CG1-CE3 3.83Å; V8-W49 HydrophobicContact CG1-CZ3 4.37Å; K9-W49 PolarHBondContact O-N 2.78Å; A11-W49 HydrophobicContact CB-CH2 3.81Å; A11-W49 HydrophobicContact CB-CZ3 3.66Å; P25-W49 HydrophobicContact CB-CZ2 4.01Å; P25-W49 HydrophobicContact CG-CZ2 4.3Å; P25-W49 PolarHBondContact O-NE1 2.93Å; V27-W49 HydrophobicContact CG2-CD2 4.07Å; V27-W49 HydrophobicContact CG2-CE3 3.86Å; V27-W49 HydrophobicContact CG2-CH2 3.34Å; V27-W49 HydrophobicContact CG2-CZ2 3.6Å; V27-W49 HydrophobicContact CG2-CZ3 3.48Å; V27-W49 VanDerWaalsContact CG2-CZ3 3.48Å; T38-W49 HydrophobicContact CG2-CB 4.48Å; T38-W49 HydrophobicContact CG2-CG 4.39Å; T38-W49 PolarHBondContact OG1-NE1 3.45Å; K39-W49 PolarHBondContact O-NE1 3.46Å; P47-W49 HydrophobicContact CB-CD2 4.41Å; P47-W49 HydrophobicContact CB-CH2 3.93Å; P47-W49 HydrophobicContact CB-CZ2 3.71Å; P47-W49 HydrophobicContact CB-CZ3 4.34Å; P47-W49 HydrophobicContact CG-CE3 4.4Å; P47-W49 HydrophobicContact CG-CH2 3.18Å; P47-W49 HydrophobicContact CG-CZ2 3.4Å; P47-W49 HydrophobicContact CG-CZ3 3.74Å; W49-E51 VanDerWaalsContact C-N 3.25Å; W49-E51 HydrophobicContact CB-CB 4.5Å; W49-E51 HydrophobicContact CB-CG 4.31Å; W49-E51 PolarHBondContact O-N 2.94Å; W49-V72 HydrophobicContact CH2-CG1 4.43Å; W49-I119 HydrophobicContact CZ3-CD1 4.45Å |
| 50 | D | 90.4 | Very high | 87 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.3 | 46.7 | -171.8 | -152.3 | 30.6 | 0 | 0 | 0 | 111.9 | N7 V8 K9 | N7-D50 PolarHBondContact OD1-OD1 3.45Å; V8-D50 VanDerWaalsContact O-CA 3.28Å; V8-D50 WeakPolarHBondContact O-CA 3.43Å; V8-D50 PolarHBondContact O-N 2.69Å; K9-D50 PolarHBondContact O-N 2.81Å |
| 51 | E | 90.6 | Very high | 86.4 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124 | -177.6 | -69.4 | -165.3 | 156.6 | 0 | 0 | 111.5 | N7 V8 T38 K39 W49 | N7-E51 WeakPolarHBondContact CA-O 3.19Å; V8-E51 PolarHBondContact N-O 2.64Å; V8-E51 PolarHBondContact O-N 3.33Å; V8-E51 VanDerWaalsContact O-N 3.08Å; T38-E51 WeakPolarHBondContact CA-OE2 3.47Å; T38-E51 VanDerWaalsContact CB-OE2 3.26Å; T38-E51 WeakPolarHBondContact CB-OE2 3.49Å; T38-E51 HydrophobicContact CG2-CB 4.26Å; K39-E51 VanDerWaalsContact CD-OE1 3.26Å; K39-E51 WeakPolarHBondContact CD-OE1 3.33Å; K39-E51 WeakPolarHBondContact CE-OE1 3.47Å; K39-E51 WeakPolarHBondContact CG-OE1 3.27Å; K39-E51 PolarHBondContact N-OE2 3.4Å; K39-E51 IonicContact NZ-OE1 3.97Å; K39-E51 PolarHBondContact NZ-OE1 2.69Å; W49-E51 VanDerWaalsContact C-N 3.25Å; W49-E51 HydrophobicContact CB-CB 4.5Å; W49-E51 HydrophobicContact CB-CG 4.31Å; W49-E51 PolarHBondContact O-N 2.94Å |
| 52 | E | 91.2 | Very high | 86.1 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.5 | 174.7 | -170.4 | -178.8 | -152.2 | 0 | 0 | 111.2 | H5 N7 I54 | H5-E52 IonicContact CE1-OE1 2.71Å; H5-E52 IonicContact CG-OE1 3.67Å; H5-E52 IonicContact ND1-OE1 3.53Å; H5-E52 PolarHBondContact ND1-OE1 3.13Å; N7-E52 HydrophobicContact CB-CB 4.47Å; E52-I54 HydrophobicContact CG-CG1 4.3Å |
| 53 | I | 90.1 | Very high | 86 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.046 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.6 | 174.6 | -71.5 | 170.4 | 0 | 0 | 0 | 107.9 | V6 V29 Q36 T38 I55 | V6-I53 HydrophobicContact CB-CB 4.44Å; V6-I53 PolarHBondContact N-O 3.37Å; V6-I53 PolarHBondContact O-N 3.26Å; V29-I53 HydrophobicContact CB-CD1 4.24Å; V29-I53 HydrophobicContact CG2-CD1 3.59Å; Q36-I53 HydrophobicContact CB-CD1 4.29Å; Q36-I53 HydrophobicContact CB-CG2 3.73Å; Q36-I53 HydrophobicContact CG-CG2 4.25Å; T38-I53 HydrophobicContact CG2-CD1 4.05Å; I53-I55 HydrophobicContact CG2-CG1 4.1Å |
| 54 | I | 88.8 | Confident | 85.6 | Confident | 84 Ų | 84 | 58.9 Ų | 58.9 | 43% | 0.431 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.3 | 179.1 | -53.2 | 176.7 | 0 | 0 | 0 | 108.7 | A3 Q36 E52 | A3-I54 HydrophobicContact CB-CG2 4.11Å; Q36-I54 PolarHBondContact NE2-O 2.86Å; E52-I54 HydrophobicContact CG-CG1 4.3Å |
| 55 | I | 87.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 112.9 | 179.6 | -52.4 | -179.3 | 0 | 0 | 0 | 108.4 | A3 L4 V6 V29 F31 Q34 I53 L57 | A3-I55 WeakPolarHBondContact CA-O 3.24Å; L4-I55 HydrophobicContact CB-CB 4.4Å; L4-I55 PolarHBondContact N-O 3.11Å; L4-I55 PolarHBondContact O-N 2.9Å; V6-I55 HydrophobicContact CG2-CD1 4.19Å; V29-I55 HydrophobicContact CG1-CD1 3.96Å; F31-I55 HydrophobicContact CB-CD1 3.72Å; F31-I55 HydrophobicContact CB-CG2 4.46Å; F31-I55 HydrophobicContact CD1-CG2 4.16Å; Q34-I55 HydrophobicContact CB-CG2 4.29Å; I53-I55 HydrophobicContact CG2-CG1 4.1Å; I55-L57 HydrophobicContact CG2-CD2 4.31Å; I55-L57 PolarHBondContact O-N 2.93Å |
| 56 | D | 82.8 | Confident | 85.3 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 118.4 | 174 | -179.6 | 3.9 | 0 | 0 | 0 | 109.8 | Q34 K58 | Q34-D56 PolarHBondContact NE2-O 2.91Å; D56-K58 PolarHBondContact O-N 2.71Å; D56-K58 PolarHBondContact OD1-N 3.15Å |
| 57 | L | 83.2 | Confident | 85.3 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | trans | -82 | 6 | -179.7 | -51.8 | -174.2 | 0 | 0 | 0 | 112.9 | Y2 L4 F31 I55 G59 K60 L62 Y125 | Y2-L57 WeakPolarHBondContact O-CB 3.31Å; Y2-L57 PolarHBondContact O-N 2.84Å; L4-L57 HydrophobicContact CB-CD2 4.24Å; F31-L57 HydrophobicContact CD1-CD2 3.95Å; F31-L57 HydrophobicContact CE1-CD2 3.53Å; F31-L57 HydrophobicContact CZ-CD2 4.37Å; I55-L57 HydrophobicContact CG2-CD2 4.31Å; I55-L57 PolarHBondContact O-N 2.93Å; L57-G59 PolarHBondContact O-N 2.95Å; L57-G59 VanDerWaalsContact O-N 3.09Å; L57-K60 WeakPolarHBondContact CB-O 3.44Å; L57-K60 PolarHBondContact O-N 3.17Å; L57-L62 HydrophobicContact CD1-CD1 4.42Å; L57-L62 HydrophobicContact CD1-CD2 4.07Å; L57-L62 HydrophobicContact CD1-CG 3.7Å; L57-Y125 HydrophobicContact CD1-CD2 4.28Å; L57-Y125 HydrophobicContact CD1-CE2 3.53Å | ||
| 58 | K | 78.8 | Confident | 85.3 | Confident | 169 Ų | 169 | 60 Ų | 60 | 74% | 0.735 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 39.1 | 175.1 | -60 | -173.5 | 179.7 | -178.5 | 0 | 113.2 | D56 | D56-K58 PolarHBondContact O-N 2.71Å; D56-K58 PolarHBondContact OD1-N 3.15Å |
| 59 | G | 72.3 | Confident | 85.4 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -3.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L57 | L57-G59 PolarHBondContact O-N 2.95Å; L57-G59 VanDerWaalsContact O-N 3.09Å |
| 60 | K | 77 | Confident | 85.5 | Confident | 148 Ų | 148 | 57.3 Ų | 57.3 | 64% | 0.643 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 128.3 | 174.8 | -64.8 | -174.7 | -179.8 | -176.9 | 0 | 110.7 | L57 | L57-K60 WeakPolarHBondContact CB-O 3.44Å; L57-K60 PolarHBondContact O-N 3.17Å |
| 61 | P | 80.7 | Confident | 85.8 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 150.9 | 173.9 | 31 | -33.4 | 0 | 0 | 0 | 111.4 | Y2 Y125 | Y2-P61 HydrophobicContact CD1-CB 4.46Å; Y2-P61 HydrophobicContact CE1-CB 4.2Å; P61-Y125 WeakPolarHBondContact CA-OH 3.21Å; P61-Y125 WeakPolarHBondContact CB-OH 3.37Å |
| 62 | L | 82 | Confident | 86 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 144.3 | 169.6 | -73.3 | 171.7 | 0 | 0 | 0 | 111.2 | L4 F31 L57 D66 L91 L95 Y125 | L4-L62 HydrophobicContact CD1-CD1 4.15Å; F31-L62 HydrophobicContact CE1-CD2 4.29Å; F31-L62 HydrophobicContact CE2-CD2 3.9Å; F31-L62 HydrophobicContact CZ-CD2 3.46Å; F31-L62 VanDerWaalsContact CZ-CD2 3.46Å; L57-L62 HydrophobicContact CD1-CD1 4.42Å; L57-L62 HydrophobicContact CD1-CD2 4.07Å; L57-L62 HydrophobicContact CD1-CG 3.7Å; L62-D66 WeakPolarHBondContact CA-OD2 3.16Å; L62-D66 HydrophobicContact CD2-CB 4.12Å; L62-L91 HydrophobicContact CD1-CD1 4.24Å; L62-L91 HydrophobicContact CD2-CD1 3.57Å; L62-L95 HydrophobicContact CB-CD2 3.49Å; L62-L95 VanDerWaalsContact CB-CD2 3.49Å; L62-L95 VanDerWaalsContact O-CD2 3.3Å; L62-L95 WeakPolarHBondContact O-CD2 3.32Å; L62-Y125 HydrophobicContact CB-CE1 4.35Å; L62-Y125 HydrophobicContact CB-CE2 4.44Å; L62-Y125 HydrophobicContact CD1-CD1 4.25Å; L62-Y125 HydrophobicContact CD1-CD2 3.57Å; L62-Y125 HydrophobicContact CD1-CE1 4.45Å; L62-Y125 HydrophobicContact CD1-CE2 3.86Å; L62-Y125 HydrophobicContact CD1-CG 3.81Å; L62-Y125 HydrophobicContact CG-CD2 4.19Å; L62-Y125 HydrophobicContact CG-CE2 3.95Å; L62-Y125 PolarHBondContact N-OH 2.99Å; L62-Y125 VanDerWaalsContact N-OH 3.11Å |
| 63 | V | 81.8 | Confident | 86.1 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | trans | -115.1 | 161.5 | 172.1 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | S65 D66 | V63-S65 PolarHBondContact O-N 3.07Å; V63-S65 VanDerWaalsContact O-N 3.12Å; V63-D66 HydrophobicContact CG2-CB 4.49Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.24Å; V63-D66 PolarHBondContact N-OD2 3.48Å; V63-D66 WeakPolarHBondContact O-CB 3.26Å; V63-D66 PolarHBondContact O-N 3.35Å | ||
| 64 | A | 76.5 | Confident | 86.3 | Confident | 55 Ų | 55 | 50 Ų | 50 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q92 L95 | A64-Q92 HydrophobicContact CB-CG 4.26Å; A64-L95 HydrophobicContact CB-CD1 4.13Å |
| 65 | S | 80 | Confident | 86.3 | Confident | 94 Ų | 94 | 49 Ų | 49 | 66% | 0.657 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.6 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | V63 N67 | V63-S65 PolarHBondContact O-N 3.07Å; V63-S65 VanDerWaalsContact O-N 3.12Å; S65-N67 PolarHBondContact O-ND2 2.91Å |
| 66 | D | 88.9 | Confident | 86.1 | Confident | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | trans | -70.3 | 140.1 | -179.3 | -79.8 | -35.8 | 0 | 0 | 0 | 111.8 | F31 Q32 L62 V63 L91 | F31-D66 HydrophobicContact CE2-CB 4.08Å; F31-D66 HydrophobicContact CZ-CB 4.37Å; Q32-D66 PolarHBondContact NE2-OD1 3.43Å; L62-D66 WeakPolarHBondContact CA-OD2 3.16Å; L62-D66 HydrophobicContact CD2-CB 4.12Å; V63-D66 HydrophobicContact CG2-CB 4.49Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.24Å; V63-D66 PolarHBondContact N-OD2 3.48Å; V63-D66 WeakPolarHBondContact O-CB 3.26Å; V63-D66 PolarHBondContact O-N 3.35Å; D66-L91 HydrophobicContact CB-CB 4.43Å; D66-L91 HydrophobicContact CB-CD1 4.12Å; D66-L91 WeakPolarHBondContact O-CB 3.29Å; D66-L91 PolarHBondContact O-N 3.02Å | ||
| 67 | N | 91.7 | Very high | 85.8 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.4 | 177.3 | -57.9 | -65.1 | 0 | 0 | 0 | 110.2 | F31 S65 L88 I89 P90 | F31-N67 WeakPolarHBondContact CD2-O 3.31Å; S65-N67 PolarHBondContact O-ND2 2.91Å; N67-L88 HydrophobicContact CB-CD1 3.74Å; N67-L88 HydrophobicContact CB-CD2 4.33Å; N67-L88 HydrophobicContact CB-CG 3.87Å; N67-I89 CarbonylContact C-O 3.51Å; N67-I89 VanDerWaalsContact CA-O 3.29Å; N67-I89 WeakPolarHBondContact CA-O 3.34Å; N67-P90 WeakPolarHBondContact OD1-CA 3.45Å; N67-P90 WeakPolarHBondContact OD1-CB 3.35Å |
| 68 | V | 92 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.3 | 168.8 | 65.5 | 0 | 0 | 0 | 0 | 109.8 | V29 F31 I70 I89 L91 L123 | V29-V68 HydrophobicContact CG1-CG2 3.65Å; F31-V68 HydrophobicContact CB-CG2 4.2Å; F31-V68 HydrophobicContact CD2-CB 4.32Å; V68-I70 HydrophobicContact CG2-CD1 4.23Å; V68-I89 HydrophobicContact CG1-CB 3.8Å; V68-I89 HydrophobicContact CG1-CG2 4.3Å; V68-I89 PolarHBondContact N-O 3.24Å; V68-I89 PolarHBondContact O-N 2.81Å; V68-L91 HydrophobicContact CB-CD2 4.29Å; V68-L91 HydrophobicContact CG1-CD2 3.84Å; V68-L123 HydrophobicContact CG1-CD1 4.42Å |
| 69 | L | 94.6 | Very high | 85 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.8 | 178 | 179.1 | 62.6 | 0 | 0 | 0 | 109.6 | D30 K71 Q86 L88 | D30-L69 HydrophobicContact CB-CB 4.33Å; D30-L69 PolarHBondContact N-O 3.38Å; D30-L69 PolarHBondContact O-N 2.65Å; L69-K71 VanDerWaalsContact CD2-CE 3.43Å; L69-K71 HydrophobicContact CG-CG 4.36Å; L69-Q86 HydrophobicContact CD1-CB 4.35Å; L69-L88 HydrophobicContact CB-CD1 3.96Å; L69-L88 HydrophobicContact CD1-CB 4.43Å; L69-L88 HydrophobicContact CD1-CD1 4.17Å |
| 70 | I | 94.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.7 | 177.2 | -55.5 | -63.3 | 0 | 0 | 0 | 108.3 | V6 V27 V28 V29 V68 Q86 A87 I89 I119 L121 | V6-I70 HydrophobicContact CG1-CD1 4.46Å; V27-I70 HydrophobicContact CG1-CG2 3.49Å; V27-I70 VanDerWaalsContact CG1-CG2 3.49Å; V28-I70 WeakPolarHBondContact O-CA 3.43Å; V29-I70 HydrophobicContact CB-CD1 4.18Å; V29-I70 HydrophobicContact CG1-CD1 3.91Å; V29-I70 HydrophobicContact CG2-CD1 3.77Å; V68-I70 HydrophobicContact CG2-CD1 4.23Å; I70-Q86 CarbonylContact O-C 3.37Å; I70-Q86 WeakPolarHBondContact O-CA 3.49Å; I70-Q86 WeakPolarHBondContact O-CB 3.01Å; I70-A87 PolarHBondContact N-O 3.46Å; I70-A87 PolarHBondContact O-N 3.2Å; I70-I89 HydrophobicContact CG1-CD1 3.63Å; I70-I89 HydrophobicContact CG1-CG1 4.42Å; I70-I119 HydrophobicContact CG2-CD1 3.77Å; I70-L121 HydrophobicContact CD1-CD2 4.07Å; I70-L121 HydrophobicContact CG1-CD2 3.86Å; I70-L121 HydrophobicContact CG2-CD2 4.49Å |
| 71 | K | 95.4 | Very high | 85.9 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.2 | 174.5 | -63 | -176.5 | 178.8 | 175 | 0 | 110.4 | V27 V28 L69 G85 Q86 | V27-K71 CarbonylContact C-O 3.48Å; V27-K71 WeakPolarHBondContact CA-O 3.44Å; V28-K71 HydrophobicContact CB-CB 4.38Å; V28-K71 PolarHBondContact N-O 2.95Å; V28-K71 PolarHBondContact O-N 2.9Å; L69-K71 VanDerWaalsContact CD2-CE 3.43Å; L69-K71 HydrophobicContact CG-CG 4.36Å; K71-G85 CarbonylContact C-O 2.97Å; K71-G85 WeakPolarHBondContact CA-O 3.36Å; K71-Q86 HydrophobicContact CG-CB 3.91Å |
| 72 | V | 95.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.9 | 172.5 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | L14 P25 V27 W49 M84 G85 L107 I119 | L14-V72 HydrophobicContact CD1-CG1 3.94Å; L14-V72 HydrophobicContact CD2-CB 4.48Å; L14-V72 HydrophobicContact CD2-CG1 3.88Å; P25-V72 HydrophobicContact CB-CG1 4.24Å; V27-V72 HydrophobicContact CG2-CG2 4.25Å; W49-V72 HydrophobicContact CH2-CG1 4.43Å; V72-M84 HydrophobicContact CB-CB 4.39Å; V72-M84 HydrophobicContact CG1-CB 4.31Å; V72-M84 HydrophobicContact CG1-SD 4.17Å; V72-M84 WeakPolarHBondContact O-CB 3.21Å; V72-M84 PolarHBondContact O-N 3.4Å; V72-G85 PolarHBondContact N-O 3.41Å; V72-G85 PolarHBondContact O-N 2.78Å; V72-L107 HydrophobicContact CB-CD1 4.18Å; V72-L107 HydrophobicContact CG2-CD1 3.59Å; V72-L107 HydrophobicContact CG2-CD2 3.91Å; V72-L107 HydrophobicContact CG2-CG 4.43Å; V72-I119 HydrophobicContact CG2-CD1 3.77Å |
| 73 | M | 94.1 | Very high | 86.7 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 14% | 0.138 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.9 | -173.2 | -58.1 | -62.8 | -62.5 | 0 | 0 | 109.2 | P25 Y26 V28 D81 K82 F83 | P25-M73 CarbonylContact C-O 2.86Å; P25-M73 WeakPolarHBondContact CA-O 3.4Å; Y26-M73 HydrophobicContact CD1-CB 3.97Å; Y26-M73 HydrophobicContact CE1-CB 3.39Å; Y26-M73 HydrophobicContact CE1-CG 4.38Å; Y26-M73 HydrophobicContact CE2-CB 4.07Å; Y26-M73 HydrophobicContact CE2-CG 4.3Å; Y26-M73 VanDerWaalsContact CZ-CB 3.42Å; Y26-M73 PolarHBondContact N-O 2.86Å; Y26-M73 PolarHBondContact O-N 3.34Å; V28-M73 HydrophobicContact CG2-CG 4.24Å; M73-D81 HydrophobicContact CE-CB 4.28Å; M73-D81 WeakPolarHBondContact CE-O 3.44Å; M73-K82 CarbonylContact C-O 3.59Å; M73-K82 WeakPolarHBondContact CA-O 3.39Å; M73-F83 HydrophobicContact CE-CB 4.34Å; M73-F83 HydrophobicContact SD-CB 4.2Å; M73-F83 HydrophobicContact SD-CD2 3.88Å |
| 74 | D | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.5 | 171.6 | -167 | 6 | 0 | 0 | 0 | 108.9 | I17 S23 D24 D81 K82 M84 | I17-D74 HydrophobicContact CD1-CB 3.69Å; I17-D74 HydrophobicContact CG1-CB 4.03Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.35Å; S23-D74 WeakPolarHBondContact CA-OD1 3.45Å; S23-D74 VanDerWaalsContact CB-CG 3.41Å; S23-D74 WeakPolarHBondContact CB-OD1 3.43Å; S23-D74 WeakPolarHBondContact CB-OD2 3.24Å; S23-D74 PolarHBondContact OG-OD2 2.8Å; D24-D74 WeakPolarHBondContact CA-OD1 3.41Å; D24-D74 PolarHBondContact N-OD1 3.44Å; D74-D81 CarbonylContact O-C 3.56Å; D74-D81 WeakPolarHBondContact O-CA 3.44Å; D74-D81 VanDerWaalsContact O-CB 3.29Å; D74-D81 WeakPolarHBondContact O-CB 3.36Å; D74-K82 HydrophobicContact CB-CB 4.28Å; D74-K82 PolarHBondContact N-O 2.85Å; D74-K82 PolarHBondContact O-N 3.37Å; D74-M84 HydrophobicContact CB-CG 3.97Å; D74-M84 HydrophobicContact CB-SD 3.77Å |
| 75 | F | 89.1 | Confident | 87.7 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | trans | -82.9 | 125.9 | -177.8 | 175.8 | -104.1 | 0 | 0 | 0 | 111.2 | D24 Y26 V40 K77 D81 | D24-F75 HydrophobicContact CB-CB 4.27Å; D24-F75 WeakPolarHBondContact O-CB 3.44Å; D24-F75 PolarHBondContact O-N 3.19Å; Y26-F75 HydrophobicContact CD1-CB 3.96Å; Y26-F75 HydrophobicContact CE1-CB 4.11Å; V40-F75 HydrophobicContact CB-CB 4.33Å; V40-F75 HydrophobicContact CG1-CB 3.57Å; V40-F75 HydrophobicContact CG1-CD1 4.01Å; V40-F75 HydrophobicContact CG1-CG 4.01Å; V40-F75 HydrophobicContact CG2-CB 3.73Å; V40-F75 HydrophobicContact CG2-CD1 4.27Å; V40-F75 HydrophobicContact CG2-CD2 4.15Å; V40-F75 HydrophobicContact CG2-CG 3.78Å; F75-K77 HydrophobicContact CE1-CG 3.94Å; F75-K77 HydrophobicContact CZ-CG 4.45Å; F75-D81 WeakPolarHBondContact CA-OD1 3.47Å; F75-D81 WeakPolarHBondContact CD2-OD1 3.49Å | ||
| 76 | D | 84.2 | Confident | 88.5 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | trans | -116.7 | 130.4 | 176.8 | -96.9 | -48.9 | 0 | 0 | 0 | 110.7 | V78 T79 D81 K82 | D76-V78 VanDerWaalsContact C-N 3.31Å; D76-V78 PolarHBondContact O-N 3.41Å; D76-T79 WeakPolarHBondContact CB-O 3.37Å; D76-T79 VanDerWaalsContact CB-OG1 3.32Å; D76-T79 WeakPolarHBondContact CB-OG1 3.42Å; D76-T79 PolarHBondContact OD1-OG1 3.41Å; D76-T79 PolarHBondContact OD2-OG1 2.82Å; D76-D81 PolarHBondContact N-OD1 3.44Å; D76-K82 IonicContact OD1-NZ 3.7Å; D76-K82 WeakPolarHBondContact OD2-CE 3.41Å; D76-K82 IonicContact OD2-NZ 3.88Å; D76-K82 PolarHBondContact OD2-NZ 2.83Å | ||
| 77 | K | 75.9 | Confident | 88.7 | Confident | 190 Ų | 190 | 49.4 Ų | 49.4 | 83% | 0.826 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -68.1 | -28.4 | 178 | -86.7 | 178.2 | -178.9 | 157.4 | 0 | 114.1 | F75 | F75-K77 HydrophobicContact CE1-CG 3.94Å; F75-K77 HydrophobicContact CZ-CG 4.45Å |
| 78 | V | 73.9 | Confident | 88.7 | Confident | 142 Ų | 142 | 51.2 Ų | 51.2 | 86% | 0.861 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -120.5 | -32.1 | -168.9 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | D76 | D76-V78 VanDerWaalsContact C-N 3.31Å; D76-V78 PolarHBondContact O-N 3.41Å |
| 79 | T | 72.6 | Confident | 88.7 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -104.7 | 163.2 | 178.5 | 39.9 | 0 | 0 | 0 | 0 | 111.7 | D76 D81 | D76-T79 WeakPolarHBondContact CB-O 3.37Å; D76-T79 VanDerWaalsContact CB-OG1 3.32Å; D76-T79 WeakPolarHBondContact CB-OG1 3.42Å; D76-T79 PolarHBondContact OD1-OG1 3.41Å; D76-T79 PolarHBondContact OD2-OG1 2.82Å; T79-D81 PolarHBondContact O-N 3.3Å |
| 80 | P | 77.6 | Confident | 88.4 | Confident | 115 Ų | 115 | 53.1 Ų | 53.1 | 75% | 0.747 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 135 | 173.7 | -18.7 | 30.9 | 0 | 0 | 0 | 111.2 | K82 | P80-K82 PolarHBondContact O-N 2.78Š|
| 81 | D | 89.5 | Confident | 88 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -49.1 | 128.9 | 177.6 | -61.5 | -17.5 | 0 | 0 | 0 | 111.5 | Y26 M73 D74 F75 D76 T79 | Y26-D81 HydrophobicContact CE1-CB 4.24Å; Y26-D81 PolarHBondContact OH-OD2 2.94Å; M73-D81 HydrophobicContact CE-CB 4.28Å; M73-D81 WeakPolarHBondContact CE-O 3.44Å; D74-D81 CarbonylContact O-C 3.56Å; D74-D81 WeakPolarHBondContact O-CA 3.44Å; D74-D81 VanDerWaalsContact O-CB 3.29Å; D74-D81 WeakPolarHBondContact O-CB 3.36Å; F75-D81 WeakPolarHBondContact CA-OD1 3.47Å; F75-D81 WeakPolarHBondContact CD2-OD1 3.49Å; D76-D81 PolarHBondContact N-OD1 3.44Å; T79-D81 PolarHBondContact O-N 3.3Å |
| 82 | K | 88.4 | Confident | 87.3 | Confident | 69 Ų | 69 | 54 Ų | 54 | 30% | 0.3 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.8 | -170.4 | -58.6 | -179 | -171.7 | 100.3 | 0 | 110.8 | I17 E18 M73 D74 D76 P80 | I17-K82 HydrophobicContact CD1-CB 3.38Å; I17-K82 HydrophobicContact CD1-CD 4.07Å; I17-K82 HydrophobicContact CD1-CG 4.39Å; I17-K82 HydrophobicContact CG1-CB 4.44Å; I17-K82 HydrophobicContact CG1-CD 4.36Å; E18-K82 IonicContact OE1-NZ 2.68Å; E18-K82 PolarHBondContact OE1-NZ 3.25Å; E18-K82 IonicContact OE2-NZ 3.56Å; M73-K82 CarbonylContact C-O 3.59Å; M73-K82 WeakPolarHBondContact CA-O 3.39Å; D74-K82 HydrophobicContact CB-CB 4.28Å; D74-K82 PolarHBondContact N-O 2.85Å; D74-K82 PolarHBondContact O-N 3.37Å; D76-K82 IonicContact OD1-NZ 3.7Å; D76-K82 WeakPolarHBondContact OD2-CE 3.41Å; D76-K82 IonicContact OD2-NZ 3.88Å; D76-K82 PolarHBondContact OD2-NZ 2.83Å; P80-K82 PolarHBondContact O-N 2.78Å |
| 83 | F | 92 | Very high | 86.5 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 20% | 0.202 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 130.4 | -178.8 | 174.5 | -94.7 | 0 | 0 | 0 | 112.2 | M73 G85 Q86 K110 | M73-F83 HydrophobicContact CE-CB 4.34Å; M73-F83 HydrophobicContact SD-CB 4.2Å; M73-F83 HydrophobicContact SD-CD2 3.88Å; F83-G85 VanDerWaalsContact CE2-C 3.47Å; F83-G85 VanDerWaalsContact CE2-O 3.3Å; F83-G85 WeakPolarHBondContact CE2-O 3.44Å; F83-Q86 HydrophobicContact CE2-CB 3.9Å; F83-Q86 HydrophobicContact CE2-CG 4.34Å; F83-Q86 HydrophobicContact CZ-CB 3.88Å; F83-Q86 HydrophobicContact CZ-CG 3.93Å; F83-K110 HydrophobicContact CD1-CD 4.3Å; F83-K110 HydrophobicContact CD1-CG 3.59Å; F83-K110 HydrophobicContact CE1-CG 3.62Å; F83-K110 HydrophobicContact CG-CG 4.31Å; F83-K110 HydrophobicContact CZ-CG 4.36Å |
| 84 | M | 87.9 | Confident | 85.9 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -32.8 | 179.8 | -55.2 | -180 | 86 | 0 | 0 | 113.2 | L14 K15 I17 S23 P25 V72 D74 | L14-M84 HydrophobicContact CB-CE 3.82Å; L14-M84 HydrophobicContact CD1-CE 4.35Å; K15-M84 WeakPolarHBondContact O-CE 3.39Å; I17-M84 HydrophobicContact CD1-CG 3.83Å; S23-M84 VanDerWaalsContact CB-CE 3.49Å; P25-M84 HydrophobicContact CB-SD 3.95Å; V72-M84 HydrophobicContact CB-CB 4.39Å; V72-M84 HydrophobicContact CG1-CB 4.31Å; V72-M84 HydrophobicContact CG1-SD 4.17Å; V72-M84 WeakPolarHBondContact O-CB 3.21Å; V72-M84 PolarHBondContact O-N 3.4Å; D74-M84 HydrophobicContact CB-CG 3.97Å; D74-M84 HydrophobicContact CB-SD 3.77Å |
| 85 | G | 91.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | 166.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K71 V72 F83 Q108 | K71-G85 CarbonylContact C-O 2.97Å; K71-G85 WeakPolarHBondContact CA-O 3.36Å; V72-G85 PolarHBondContact N-O 3.41Å; V72-G85 PolarHBondContact O-N 2.78Å; F83-G85 VanDerWaalsContact CE2-C 3.47Å; F83-G85 VanDerWaalsContact CE2-O 3.3Å; F83-G85 WeakPolarHBondContact CE2-O 3.44Å; G85-Q108 CarbonylContact C-O 3.47Å; G85-Q108 WeakPolarHBondContact CA-O 3.43Å |
| 86 | Q | 95.9 | Very high | 84.3 | Confident | 47 Ų | 47 | 60 Ų | 60 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.1 | 176 | 68.8 | -174.7 | 1.1 | 0 | 0 | 112.9 | L69 I70 K71 F83 Q108 | L69-Q86 HydrophobicContact CD1-CB 4.35Å; I70-Q86 CarbonylContact O-C 3.37Å; I70-Q86 WeakPolarHBondContact O-CA 3.49Å; I70-Q86 WeakPolarHBondContact O-CB 3.01Å; K71-Q86 HydrophobicContact CG-CB 3.91Å; F83-Q86 HydrophobicContact CE2-CB 3.9Å; F83-Q86 HydrophobicContact CE2-CG 4.34Å; F83-Q86 HydrophobicContact CZ-CB 3.88Å; F83-Q86 HydrophobicContact CZ-CG 3.93Å; Q86-Q108 PolarHBondContact N-O 3.37Å; Q86-Q108 WeakPolarHBondContact O-CA 3.46Å; Q86-Q108 WeakPolarHBondContact O-CB 3.42Å; Q86-Q108 PolarHBondContact O-N 3.35Å |
| 87 | A | 92.8 | Very high | 83.4 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | I70 V105 L107 | I70-A87 PolarHBondContact N-O 3.46Å; I70-A87 PolarHBondContact O-N 3.2Å; A87-V105 HydrophobicContact CB-CB 4.36Å; A87-V105 HydrophobicContact CB-CG2 3.61Å; A87-L107 HydrophobicContact CB-CD2 4.22Å |
| 88 | L | 93 | Very high | 82.9 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.6 | 172.8 | -171.2 | 70.7 | 0 | 0 | 0 | 108.5 | N67 L69 | N67-L88 HydrophobicContact CB-CD1 3.74Å; N67-L88 HydrophobicContact CB-CD2 4.33Å; N67-L88 HydrophobicContact CB-CG 3.87Å; L69-L88 HydrophobicContact CB-CD1 3.96Å; L69-L88 HydrophobicContact CD1-CB 4.43Å; L69-L88 HydrophobicContact CD1-CD1 4.17Å |
| 89 | I | 91.1 | Very high | 83.1 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.4 | -169.9 | -59.2 | 175.8 | 0 | 0 | 0 | 109.7 | N67 V68 I70 I103 V105 L121 L123 | N67-I89 CarbonylContact C-O 3.51Å; N67-I89 VanDerWaalsContact CA-O 3.29Å; N67-I89 WeakPolarHBondContact CA-O 3.34Å; V68-I89 HydrophobicContact CG1-CB 3.8Å; V68-I89 HydrophobicContact CG1-CG2 4.3Å; V68-I89 PolarHBondContact N-O 3.24Å; V68-I89 PolarHBondContact O-N 2.81Å; I70-I89 HydrophobicContact CG1-CD1 3.63Å; I70-I89 HydrophobicContact CG1-CG1 4.42Å; I89-I103 HydrophobicContact CD1-CG2 4.14Å; I89-I103 HydrophobicContact CG2-CD1 3.42Å; I89-I103 VanDerWaalsContact CG2-CD1 3.42Å; I89-I103 HydrophobicContact CG2-CG2 4.11Å; I89-V105 HydrophobicContact CD1-CG2 4.04Å; I89-V105 HydrophobicContact CG1-CG2 4.26Å; I89-L121 HydrophobicContact CD1-CD1 4.04Å; I89-L121 HydrophobicContact CD1-CD2 3.64Å; I89-L121 HydrophobicContact CD1-CG 4.24Å; I89-L123 HydrophobicContact CG2-CD1 4.13Å |
| 90 | P | 87.8 | Confident | 83.4 | Confident | 72 Ų | 72 | 55 Ų | 55 | 47% | 0.468 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 132.3 | 175.4 | -17.9 | 30.7 | 0 | 0 | 0 | 112.8 | N67 Q92 | N67-P90 WeakPolarHBondContact OD1-CA 3.45Å; N67-P90 WeakPolarHBondContact OD1-CB 3.35Å; P90-Q92 VanDerWaalsContact C-N 3.34Å |
| 91 | L | 87.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1 | -178 | -61.5 | -178.8 | 0 | 0 | 0 | 113.6 | L4 F31 L62 D66 V68 S93 V94 L123 | L4-L91 HydrophobicContact CD1-CD2 4.49Å; L4-L91 HydrophobicContact CD2-CD1 3.74Å; L4-L91 HydrophobicContact CD2-CD2 4.24Å; F31-L91 HydrophobicContact CD2-CD1 3.9Å; F31-L91 HydrophobicContact CE2-CD1 3.47Å; F31-L91 VanDerWaalsContact CE2-CD1 3.47Å; F31-L91 HydrophobicContact CZ-CD1 4.33Å; L62-L91 HydrophobicContact CD1-CD1 4.24Å; L62-L91 HydrophobicContact CD2-CD1 3.57Å; D66-L91 HydrophobicContact CB-CB 4.43Å; D66-L91 HydrophobicContact CB-CD1 4.12Å; D66-L91 WeakPolarHBondContact O-CB 3.29Å; D66-L91 PolarHBondContact O-N 3.02Å; V68-L91 HydrophobicContact CB-CD2 4.29Å; V68-L91 HydrophobicContact CG1-CD2 3.84Å; L91-S93 PolarHBondContact O-N 2.92Å; L91-S93 VanDerWaalsContact O-N 3.16Å; L91-V94 HydrophobicContact CD2-CG2 4.25Å; L91-V94 WeakPolarHBondContact O-CB 3.3Å; L91-V94 PolarHBondContact O-N 3.49Å; L91-L123 HydrophobicContact CD2-CD1 3.41Å; L91-L123 VanDerWaalsContact CD2-CD1 3.41Å |
| 92 | Q | 81.5 | Confident | 83.7 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.6 | -37.9 | -179.5 | -170.7 | 178.9 | 14.8 | 0 | 0 | 112.8 | A64 P90 V94 | A64-Q92 HydrophobicContact CB-CG 4.26Å; P90-Q92 VanDerWaalsContact C-N 3.34Å; Q92-V94 VanDerWaalsContact C-N 3.26Å; Q92-V94 PolarHBondContact O-N 2.88Å |
| 93 | S | 76.9 | Confident | 83.7 | Confident | 58 Ų | 58 | 51 Ų | 51 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.6 | -21.1 | 179.6 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | L91 | L91-S93 PolarHBondContact O-N 2.92Å; L91-S93 VanDerWaalsContact O-N 3.16Å |
| 94 | V | 82.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -85.3 | -27.1 | -176.8 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | L91 Q92 S96 A97 L123 | L91-V94 HydrophobicContact CD2-CG2 4.25Å; L91-V94 WeakPolarHBondContact O-CB 3.3Å; L91-V94 PolarHBondContact O-N 3.49Å; Q92-V94 VanDerWaalsContact C-N 3.26Å; Q92-V94 PolarHBondContact O-N 2.88Å; V94-S96 VanDerWaalsContact C-N 3.29Å; V94-S96 PolarHBondContact O-N 3.08Å; V94-A97 PolarHBondContact O-N 3.44Å; V94-A97 VanDerWaalsContact O-N 3.12Å; V94-L123 HydrophobicContact CG1-CB 4.24Å; V94-L123 HydrophobicContact CG2-CB 3.66Å; V94-L123 HydrophobicContact CG2-CD1 3.76Å; V94-L123 HydrophobicContact CG2-CG 4.38Å |
| 95 | L | 77.1 | Confident | 83.8 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -36.9 | -177.2 | -72.4 | 172.2 | 0 | 0 | 0 | 113.8 | L62 A64 Y125 | L62-L95 HydrophobicContact CB-CD2 3.49Å; L62-L95 VanDerWaalsContact CB-CD2 3.49Å; L62-L95 VanDerWaalsContact O-CD2 3.3Å; L62-L95 WeakPolarHBondContact O-CD2 3.32Å; A64-L95 HydrophobicContact CB-CD1 4.13Å; L95-Y125 HydrophobicContact CD2-CE1 4.4Å |
| 96 | S | 69.9 | Low | 83.8 | Confident | 109 Ų | 109 | 56.7 Ų | 56.7 | 76% | 0.762 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3.5 | -180 | 54 | 0 | 0 | 0 | 0 | 113.8 | V94 | V94-S96 VanDerWaalsContact C-N 3.29Å; V94-S96 PolarHBondContact O-N 3.08Å |
| 97 | A | 66.1 | Low | 83.7 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | trans | -90.3 | 122.5 | -173 | 0 | 0 | 0 | 0 | 0 | 111.4 | V94 V99 V101 | V94-A97 PolarHBondContact O-N 3.44Å; V94-A97 VanDerWaalsContact O-N 3.12Å; A97-V99 VanDerWaalsContact C-N 3.33Å; A97-V101 HydrophobicContact CB-CG2 3.32Å | ||
| 98 | T | 66.2 | Low | 83.6 | Confident | 126 Ų | 126 | 57.3 Ų | 57.3 | 77% | 0.773 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -85.1 | -9.5 | 170.4 | 43.1 | 0 | 0 | 0 | 0 | 113 | ||
| 99 | V | 76.6 | Confident | 83.2 | Confident | 105 Ų | 105 | 54.7 Ų | 54.7 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -122.2 | 158 | -177.6 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | A97 V101 | A97-V99 VanDerWaalsContact C-N 3.33Å; V99-V101 PolarHBondContact O-N 3.26Å |
| 100 | E | 79.8 | Confident | 82.5 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | trans | -52.8 | 129.4 | 171 | -93 | -178.6 | -149.8 | 0 | 0 | 112.3 | P102 S122 L123 R124 | E100-P102 WeakPolarHBondContact O-CD 3.24Å; E100-S122 WeakPolarHBondContact OE2-CB 3.37Å; E100-S122 PolarHBondContact OE2-OG 2.8Å; E100-L123 CarbonylContact C-O 3.54Å; E100-L123 WeakPolarHBondContact CA-O 3.46Å; E100-R124 HydrophobicContact CG-CB 3.68Å; E100-R124 HydrophobicContact CG-CG 4.47Å | ||
| 101 | V | 85.2 | Confident | 81.7 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 110.8 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | A97 V99 I103 S122 L123 | A97-V101 HydrophobicContact CB-CG2 3.32Å; V99-V101 PolarHBondContact O-N 3.26Å; V101-I103 HydrophobicContact CG1-CG1 4.32Å; V101-S122 CarbonylContact O-C 3.44Å; V101-S122 VanDerWaalsContact O-CA 3.24Å; V101-S122 WeakPolarHBondContact O-CA 3.42Å; V101-L123 PolarHBondContact N-O 2.8Å; V101-L123 PolarHBondContact O-N 2.84Å |
| 102 | P | 88.1 | Confident | 81 | Confident | 101 Ų | 101 | 68.2 Ų | 68.2 | 66% | 0.656 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 137.5 | 173.8 | 30.2 | -33.2 | 0 | 0 | 0 | 110.7 | E100 | E100-P102 WeakPolarHBondContact O-CD 3.24Å |
| 103 | I | 87.9 | Confident | 80.5 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.2 | -179.2 | -60.4 | -172.9 | 0 | 0 | 0 | 108.4 | I89 V101 V105 E120 L121 L123 | I89-I103 HydrophobicContact CD1-CG2 4.14Å; I89-I103 HydrophobicContact CG2-CD1 3.42Å; I89-I103 VanDerWaalsContact CG2-CD1 3.42Å; I89-I103 HydrophobicContact CG2-CG2 4.11Å; V101-I103 HydrophobicContact CG1-CG1 4.32Å; I103-V105 HydrophobicContact CG2-CG1 3.69Å; I103-E120 CarbonylContact O-C 3.41Å; I103-E120 WeakPolarHBondContact O-CA 3.36Å; I103-L121 HydrophobicContact CB-CD1 3.94Å; I103-L121 HydrophobicContact CB-CG 4.34Å; I103-L121 HydrophobicContact CD1-CD1 4.37Å; I103-L121 HydrophobicContact CG1-CD1 4.48Å; I103-L121 HydrophobicContact CG2-CD1 4.45Å; I103-L121 PolarHBondContact N-O 2.89Å; I103-L121 PolarHBondContact O-N 3.07Å; I103-L121 VanDerWaalsContact O-O 3.07Å; I103-L123 HydrophobicContact CD1-CD1 3.35Å; I103-L123 HydrophobicContact CD1-CG 3.8Å |
| 104 | C | 91.5 | Very high | 80.7 | Confident | 80 Ų | 80 | 72 Ų | 72 | 54% | 0.541 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 117 | 170.8 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | I119 E120 | C104-I119 WeakPolarHBondContact CA-O 3.44Å; C104-E120 HydrophobicContact CB-CG 3.91Å; C104-E120 VanDerWaalsContact SG-CG 3.59Å |
| 105 | V | 90.6 | Very high | 80.5 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 26% | 0.255 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.8 | -176.1 | -70.6 | 0 | 0 | 0 | 0 | 110.9 | A87 I89 I103 T118 I119 | A87-V105 HydrophobicContact CB-CB 4.36Å; A87-V105 HydrophobicContact CB-CG2 3.61Å; I89-V105 HydrophobicContact CD1-CG2 4.04Å; I89-V105 HydrophobicContact CG1-CG2 4.26Å; I103-V105 HydrophobicContact CG2-CG1 3.69Å; V105-T118 CarbonylContact O-C 3.02Å; V105-T118 VanDerWaalsContact O-CA 3.31Å; V105-T118 WeakPolarHBondContact O-CA 3.42Å; V105-I119 HydrophobicContact CG2-CG2 3.6Å; V105-I119 PolarHBondContact N-O 3.4Å; V105-I119 PolarHBondContact O-N 2.94Å |
| 106 | V | 92.5 | Very high | 80.6 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.9 | 172 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | D114 T115 T118 | V106-D114 HydrophobicContact CG1-CB 3.8Å; V106-T115 WeakPolarHBondContact CG1-O 3.27Å; V106-T118 HydrophobicContact CG2-CG2 4.04Å |
| 107 | L | 93.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.9 | 176.1 | -68.4 | 171.3 | 0 | 0 | 0 | 110 | L14 V72 A87 T115 S117 I119 | L14-L107 HydrophobicContact CD2-CD1 3.8Å; V72-L107 HydrophobicContact CB-CD1 4.18Å; V72-L107 HydrophobicContact CG2-CD1 3.59Å; V72-L107 HydrophobicContact CG2-CD2 3.91Å; V72-L107 HydrophobicContact CG2-CG 4.43Å; A87-L107 HydrophobicContact CB-CD2 4.22Å; L107-T115 WeakPolarHBondContact O-CA 3.42Å; L107-T115 VanDerWaalsContact O-CB 3.26Å; L107-T115 WeakPolarHBondContact O-CB 3.11Å; L107-T115 WeakPolarHBondContact O-CG2 3.31Å; L107-T115 PolarHBondContact O-N 3.18Å; L107-T115 PolarHBondContact O-OG1 3.07Å; L107-S117 PolarHBondContact N-O 2.85Å; L107-I119 HydrophobicContact CD2-CB 4.22Å; L107-I119 HydrophobicContact CD2-CG2 3.7Å; L107-I119 HydrophobicContact CG-CB 4.39Å; L107-I119 HydrophobicContact CG-CG2 4.19Å |
| 108 | Q | 89.9 | Confident | 82.7 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 147.5 | 175.9 | -66.6 | -179.9 | -19.8 | 0 | 0 | 111.6 | G85 Q86 G112 Q113 D114 | G85-Q108 CarbonylContact C-O 3.47Å; G85-Q108 WeakPolarHBondContact CA-O 3.43Å; Q86-Q108 PolarHBondContact N-O 3.37Å; Q86-Q108 WeakPolarHBondContact O-CA 3.46Å; Q86-Q108 WeakPolarHBondContact O-CB 3.42Å; Q86-Q108 PolarHBondContact O-N 3.35Å; Q108-G112 PolarHBondContact NE2-O 3.2Å; Q108-Q113 CarbonylContact C-O 3.55Å; Q108-Q113 WeakPolarHBondContact CA-O 3.22Å; Q108-D114 VanDerWaalsContact CG-OD1 3.24Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.38Å; Q108-D114 PolarHBondContact NE2-OD1 3.34Å |
| 109 | N | 84.2 | Confident | 84 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | trans | -76.2 | -179.8 | 172.3 | 72.2 | 21.8 | 0 | 0 | 0 | 111.6 | K111 G112 Q113 T115 | N109-K111 PolarHBondContact O-N 2.85Å; N109-K111 WeakPolarHBondContact OD1-CA 3.37Å; N109-K111 PolarHBondContact OD1-N 3.21Å; N109-G112 PolarHBondContact O-N 3.42Å; N109-G112 PolarHBondContact OD1-N 3.33Å; N109-Q113 PolarHBondContact N-O 2.98Å; N109-Q113 PolarHBondContact ND2-OE1 2.9Å; N109-Q113 VanDerWaalsContact ND2-OE1 3.14Å; N109-Q113 PolarHBondContact OD1-N 2.92Å; N109-T115 HydrophobicContact CB-CG2 4.21Å | ||
| 110 | K | 77.7 | Confident | 84.8 | Confident | 168 Ų | 168 | 66.7 Ų | 66.7 | 73% | 0.73 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.6 | -179.4 | -67.8 | -172.9 | 179.1 | 179.6 | 0 | 114.8 | F83 | F83-K110 HydrophobicContact CD1-CD 4.3Å; F83-K110 HydrophobicContact CD1-CG 3.59Å; F83-K110 HydrophobicContact CE1-CG 3.62Å; F83-K110 HydrophobicContact CG-CG 4.31Å; F83-K110 HydrophobicContact CZ-CG 4.36Å |
| 111 | K | 70.3 | Confident | 85.5 | Confident | 158 Ų | 158 | 63.4 Ų | 63.4 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 7 | 177.8 | -64.8 | -173.9 | 178.2 | 178.9 | 0 | 113 | N109 | N109-K111 PolarHBondContact O-N 2.85Å; N109-K111 WeakPolarHBondContact OD1-CA 3.37Å; N109-K111 PolarHBondContact OD1-N 3.21Å |
| 112 | G | 73.2 | Confident | 85.8 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 37% | 0.371 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 81.3 | 12.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q108 N109 | Q108-G112 PolarHBondContact NE2-O 3.2Å; N109-G112 PolarHBondContact O-N 3.42Å; N109-G112 PolarHBondContact OD1-N 3.33Å |
| 113 | Q | 70.8 | Confident | 86 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | trans | -90.3 | 135 | 177.7 | -61.1 | 171.4 | -35.4 | 0 | 0 | 111 | Q108 N109 | Q108-Q113 CarbonylContact C-O 3.55Å; Q108-Q113 WeakPolarHBondContact CA-O 3.22Å; N109-Q113 PolarHBondContact N-O 2.98Å; N109-Q113 PolarHBondContact ND2-OE1 2.9Å; N109-Q113 VanDerWaalsContact ND2-OE1 3.14Å; N109-Q113 PolarHBondContact OD1-N 2.92Å | ||
| 114 | D | 80.7 | Confident | 85.9 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 60% | 0.599 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 135.6 | 175.7 | -68.3 | -4.7 | 0 | 0 | 0 | 111.6 | V106 Q108 | V106-D114 HydrophobicContact CG1-CB 3.8Å; Q108-D114 VanDerWaalsContact CG-OD1 3.24Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.38Å; Q108-D114 PolarHBondContact NE2-OD1 3.34Å |
| 115 | T | 79.7 | Confident | 85.8 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 175.9 | 176.5 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | V106 L107 N109 S117 | V106-T115 WeakPolarHBondContact CG1-O 3.27Å; L107-T115 WeakPolarHBondContact O-CA 3.42Å; L107-T115 VanDerWaalsContact O-CB 3.26Å; L107-T115 WeakPolarHBondContact O-CB 3.11Å; L107-T115 WeakPolarHBondContact O-CG2 3.31Å; L107-T115 PolarHBondContact O-N 3.18Å; L107-T115 PolarHBondContact O-OG1 3.07Å; N109-T115 HydrophobicContact CB-CG2 4.21Å; T115-S117 PolarHBondContact O-N 2.85Å; T115-S117 WeakPolarHBondContact OG1-CB 3.33Å; T115-S117 PolarHBondContact OG1-N 2.84Å; T115-S117 PolarHBondContact OG1-O 3.26Å |
| 116 | M | 78.5 | Confident | 85.3 | Confident | 165 Ų | 165 | 60.6 Ų | 60.6 | 81% | 0.813 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -0.3 | 170.6 | -66.6 | -63.3 | -67.6 | 0 | 0 | 112.9 | ||
| 117 | S | 88.7 | Confident | 84.2 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.4 | -178.4 | -49 | 0 | 0 | 0 | 0 | 110.4 | N12 N13 L107 T115 | N12-S117 VanDerWaalsContact O-CA 3.29Å; N12-S117 WeakPolarHBondContact O-CA 3.46Å; N13-S117 WeakPolarHBondContact O-CB 3.46Å; N13-S117 PolarHBondContact O-OG 2.85Å; L107-S117 PolarHBondContact N-O 2.85Å; T115-S117 PolarHBondContact O-N 2.85Å; T115-S117 WeakPolarHBondContact OG1-CB 3.33Å; T115-S117 PolarHBondContact OG1-N 2.84Å; T115-S117 PolarHBondContact OG1-O 3.26Å |
| 118 | T | 90.8 | Very high | 82.8 | Confident | 34 Ų | 34 | 65 Ų | 65 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153.1 | 176.2 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | A11 N12 V105 V106 | A11-T118 CarbonylContact C-O 3.56Å; A11-T118 WeakPolarHBondContact CA-O 3.3Å; A11-T118 WeakPolarHBondContact CB-O 3.33Å; N12-T118 PolarHBondContact N-O 3.31Å; N12-T118 PolarHBondContact ND2-OG1 2.84Å; N12-T118 PolarHBondContact O-N 2.68Å; V105-T118 CarbonylContact O-C 3.02Å; V105-T118 VanDerWaalsContact O-CA 3.31Å; V105-T118 WeakPolarHBondContact O-CA 3.42Å; V106-T118 HydrophobicContact CG2-CG2 4.04Å |
| 119 | I | 94.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.4 | 172.1 | -170.1 | 158.9 | 0 | 0 | 0 | 110.1 | V8 A11 V27 W49 I70 V72 C104 V105 L107 | V8-I119 HydrophobicContact CG1-CD1 4.35Å; A11-I119 HydrophobicContact CB-CB 4.48Å; A11-I119 HydrophobicContact CB-CG1 4.44Å; V27-I119 HydrophobicContact CG1-CD1 4.07Å; V27-I119 HydrophobicContact CG2-CD1 3.8Å; W49-I119 HydrophobicContact CZ3-CD1 4.45Å; I70-I119 HydrophobicContact CG2-CD1 3.77Å; V72-I119 HydrophobicContact CG2-CD1 3.77Å; C104-I119 WeakPolarHBondContact CA-O 3.44Å; V105-I119 HydrophobicContact CG2-CG2 3.6Å; V105-I119 PolarHBondContact N-O 3.4Å; V105-I119 PolarHBondContact O-N 2.94Å; L107-I119 HydrophobicContact CD2-CB 4.22Å; L107-I119 HydrophobicContact CD2-CG2 3.7Å; L107-I119 HydrophobicContact CG-CB 4.39Å; L107-I119 HydrophobicContact CG-CG2 4.19Å |
| 120 | E | 93 | Very high | 78.6 | Confident | 58 Ų | 58 | 75 Ų | 75 | 27% | 0.271 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.2 | 176.4 | -73.2 | 178.1 | -143.8 | 0 | 0 | 109.9 | K9 K10 I103 C104 | K9-E120 WeakPolarHBondContact CA-O 3.43Å; K9-E120 HydrophobicContact CB-CB 4.47Å; K9-E120 WeakPolarHBondContact CB-O 3.34Å; K9-E120 PolarHBondContact N-O 2.86Å; K10-E120 WeakPolarHBondContact CE-OE1 3.49Å; K10-E120 WeakPolarHBondContact CE-OE2 3.26Å; K10-E120 HydrophobicContact CG-CB 4.07Å; K10-E120 PolarHBondContact N-O 2.85Å; K10-E120 IonicContact NZ-OE1 2.84Å; K10-E120 PolarHBondContact NZ-OE1 3.39Å; K10-E120 IonicContact NZ-OE2 2.7Å; K10-E120 PolarHBondContact O-N 2.79Å; I103-E120 CarbonylContact O-C 3.41Å; I103-E120 WeakPolarHBondContact O-CA 3.36Å; C104-E120 HydrophobicContact CB-CG 3.91Å; C104-E120 VanDerWaalsContact SG-CG 3.59Å |
| 121 | L | 94.2 | Very high | 76.4 | Confident | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 164.6 | 176.6 | 57 | 93.8 | 0 | 0 | 0 | 111 | N7 I70 I89 I103 L123 | N7-L121 CarbonylContact O-C 3.57Å; N7-L121 WeakPolarHBondContact O-CA 3.25Å; N7-L121 WeakPolarHBondContact O-CB 3.39Å; I70-L121 HydrophobicContact CD1-CD2 4.07Å; I70-L121 HydrophobicContact CG1-CD2 3.86Å; I70-L121 HydrophobicContact CG2-CD2 4.49Å; I89-L121 HydrophobicContact CD1-CD1 4.04Å; I89-L121 HydrophobicContact CD1-CD2 3.64Å; I89-L121 HydrophobicContact CD1-CG 4.24Å; I103-L121 HydrophobicContact CB-CD1 3.94Å; I103-L121 HydrophobicContact CB-CG 4.34Å; I103-L121 HydrophobicContact CD1-CD1 4.37Å; I103-L121 HydrophobicContact CG1-CD1 4.48Å; I103-L121 HydrophobicContact CG2-CD1 4.45Å; I103-L121 PolarHBondContact N-O 2.89Å; I103-L121 PolarHBondContact O-N 3.07Å; I103-L121 VanDerWaalsContact O-O 3.07Å; L121-L123 HydrophobicContact CD1-CD1 4.41Å; L121-L123 HydrophobicContact CD1-CD2 3.7Å; L121-L123 HydrophobicContact CD1-CG 3.77Å |
| 122 | S | 91 | Very high | 74.3 | Confident | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.2 | 168 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | N7 K9 E100 V101 | N7-S122 PolarHBondContact N-O 3.43Å; N7-S122 PolarHBondContact O-N 3.12Å; K9-S122 VanDerWaalsContact CE-OG 3.31Å; K9-S122 WeakPolarHBondContact CE-OG 3.35Å; E100-S122 WeakPolarHBondContact OE2-CB 3.37Å; E100-S122 PolarHBondContact OE2-OG 2.8Å; V101-S122 CarbonylContact O-C 3.44Å; V101-S122 VanDerWaalsContact O-CA 3.24Å; V101-S122 WeakPolarHBondContact O-CA 3.42Å |
| 123 | L | 92.4 | Very high | 72 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135 | 180 | -60.6 | -175.7 | 0 | 0 | 0 | 110.6 | H5 V6 V68 I89 L91 V94 E100 V101 I103 L121 | H5-L123 CarbonylContact O-C 3.48Å; H5-L123 VanDerWaalsContact O-CA 3.32Å; H5-L123 WeakPolarHBondContact O-CA 3.2Å; V6-L123 HydrophobicContact CB-CD2 3.98Å; V6-L123 HydrophobicContact CG1-CD2 3.74Å; V6-L123 HydrophobicContact CG2-CD2 3.69Å; V68-L123 HydrophobicContact CG1-CD1 4.42Å; I89-L123 HydrophobicContact CG2-CD1 4.13Å; L91-L123 HydrophobicContact CD2-CD1 3.41Å; L91-L123 VanDerWaalsContact CD2-CD1 3.41Å; V94-L123 HydrophobicContact CG1-CB 4.24Å; V94-L123 HydrophobicContact CG2-CB 3.66Å; V94-L123 HydrophobicContact CG2-CD1 3.76Å; V94-L123 HydrophobicContact CG2-CG 4.38Å; E100-L123 CarbonylContact C-O 3.54Å; E100-L123 WeakPolarHBondContact CA-O 3.46Å; V101-L123 PolarHBondContact N-O 2.8Å; V101-L123 PolarHBondContact O-N 2.84Å; I103-L123 HydrophobicContact CD1-CD1 3.35Å; I103-L123 HydrophobicContact CD1-CG 3.8Å; L121-L123 HydrophobicContact CD1-CD1 4.41Å; L121-L123 HydrophobicContact CD1-CD2 3.7Å; L121-L123 HydrophobicContact CD1-CG 3.77Å |
| 124 | R | 87 | Confident | 69.9 | Low | 113 Ų | 113 | 80.1 Ų | 80.1 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 138.3 | 172.1 | 174.8 | -179.6 | -180 | -161.3 | -3.2 | 110.3 | H5 E100 | H5-R124 HydrophobicContact CB-CB 4.12Å; H5-R124 WeakPolarHBondContact CB-O 3.37Å; H5-R124 PolarHBondContact N-O 3.16Å; H5-R124 PolarHBondContact O-N 3.42Å; E100-R124 HydrophobicContact CG-CB 3.68Å; E100-R124 HydrophobicContact CG-CG 4.47Å |
| 125 | Y | 87.9 | Confident | 67.1 | Low | 10 Ų | 10 | 80 Ų | 80 | 4% | 0.039 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.4 | 178.2 | -178.9 | -136.8 | 0 | 0 | 0 | 110.4 | Y2 A3 L57 P61 L62 L95 F127 | Y2-Y125 HydrophobicContact CD1-CE2 4.07Å; Y2-Y125 AromaticContact CD1-CZ 3.63Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.46Å; A3-Y125 WeakPolarHBondContact O-CD2 3.18Å; L57-Y125 HydrophobicContact CD1-CD2 4.28Å; L57-Y125 HydrophobicContact CD1-CE2 3.53Å; P61-Y125 WeakPolarHBondContact CA-OH 3.21Å; P61-Y125 WeakPolarHBondContact CB-OH 3.37Å; L62-Y125 HydrophobicContact CB-CE1 4.35Å; L62-Y125 HydrophobicContact CB-CE2 4.44Å; L62-Y125 HydrophobicContact CD1-CD1 4.25Å; L62-Y125 HydrophobicContact CD1-CD2 3.57Å; L62-Y125 HydrophobicContact CD1-CE1 4.45Å; L62-Y125 HydrophobicContact CD1-CE2 3.86Å; L62-Y125 HydrophobicContact CD1-CG 3.81Å; L62-Y125 HydrophobicContact CG-CD2 4.19Å; L62-Y125 HydrophobicContact CG-CE2 3.95Å; L62-Y125 PolarHBondContact N-OH 2.99Å; L62-Y125 VanDerWaalsContact N-OH 3.11Å; L95-Y125 HydrophobicContact CD2-CE1 4.4Å; Y125-F127 AromaticContact CD1-CD1 3.98Å; Y125-F127 HydrophobicContact CD1-CD1 3.98Å; Y125-F127 AromaticContact CD1-CE1 3.32Å; Y125-F127 HydrophobicContact CD1-CE1 3.32Å; Y125-F127 HydrophobicContact CD1-CE2 4.44Å; Y125-F127 AromaticContact CD1-CZ 3.58Å; Y125-F127 HydrophobicContact CD1-CZ 3.58Å; Y125-F127 AromaticContact CE1-CD1 3.65Å; Y125-F127 HydrophobicContact CE1-CD1 3.65Å; Y125-F127 AromaticContact CE1-CE1 3.25Å; Y125-F127 HydrophobicContact CE1-CE1 3.25Å; Y125-F127 HydrophobicContact CE1-CZ 4.03Å; Y125-F127 HydrophobicContact CG-CE1 4.42Å; Y125-F127 HydrophobicContact CG-CZ 4.48Å |
| 126 | E | 80.8 | Confident | 64.4 | Low | 91 Ų | 91 | 82.9 Ų | 82.9 | 43% | 0.425 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132 | 178.6 | -170.1 | 178.1 | -165.6 | 0 | 0 | 110.7 | Y2 A3 H5 | Y2-E126 WeakPolarHBondContact CA-O 3.43Å; A3-E126 HydrophobicContact CB-CB 4.35Å; A3-E126 PolarHBondContact N-O 2.74Å; A3-E126 PolarHBondContact O-N 2.82Å; H5-E126 IonicContact NE2-OE2 3.34Å; H5-E126 PolarHBondContact NE2-OE2 3.15Å |
| 127 | F | 70.6 | Confident | 61.8 | Low | 97 Ų | 97 | 81.5 Ų | 81.5 | 43% | 0.425 | 44% | 0.444 | S | S | . | . | trans | -104.2 | 146.3 | 177.9 | -41.4 | -93.6 | 0 | 0 | 0 | 110.4 | Y2 Y125 Q129 | Y2-F127 HydrophobicContact CE1-CB 4.43Å; Y2-F127 HydrophobicContact CE1-CD1 4.28Å; Y125-F127 AromaticContact CD1-CD1 3.98Å; Y125-F127 HydrophobicContact CD1-CD1 3.98Å; Y125-F127 AromaticContact CD1-CE1 3.32Å; Y125-F127 HydrophobicContact CD1-CE1 3.32Å; Y125-F127 HydrophobicContact CD1-CE2 4.44Å; Y125-F127 AromaticContact CD1-CZ 3.58Å; Y125-F127 HydrophobicContact CD1-CZ 3.58Å; Y125-F127 AromaticContact CE1-CD1 3.65Å; Y125-F127 HydrophobicContact CE1-CD1 3.65Å; Y125-F127 AromaticContact CE1-CE1 3.25Å; Y125-F127 HydrophobicContact CE1-CE1 3.25Å; Y125-F127 HydrophobicContact CE1-CZ 4.03Å; Y125-F127 HydrophobicContact CG-CE1 4.42Å; Y125-F127 HydrophobicContact CG-CZ 4.48Å; F127-Q129 PolarHBondContact O-N 2.89Å | ||
| 128 | P | 62 | Low | 58.7 | Low | 54 Ų | 54 | 88.6 Ų | 88.6 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | trans | -60.2 | 120.2 | 175.6 | -13.8 | 21.9 | 0 | 0 | 0 | 111.8 | Y2 T130 | Y2-P128 HydrophobicContact CD1-CG 4.16Å; Y2-P128 HydrophobicContact CD2-CG 3.84Å; Y2-P128 HydrophobicContact CE1-CG 4.03Å; Y2-P128 HydrophobicContact CE2-CG 3.67Å; Y2-P128 HydrophobicContact CG-CG 4.08Å; P128-T130 PolarHBondContact O-N 2.86Å | ||
| 129 | Q | 50.1 | Low | 55.6 | Low | 177 Ų | 177 | 94 Ų | 94 | 83% | 0.827 | 50% | 0.502 | S | S | * | . | trans | -71.8 | 121.2 | 167.4 | -67.8 | -168 | -2.5 | 0 | 0 | 110 | F127 T131 | F127-Q129 PolarHBondContact O-N 2.89Å; Q129-T131 PolarHBondContact O-N 2.79Å; Q129-T131 VanDerWaalsContact O-N 3.09Å | ||
| 130 | T | 35.8 | Very low | 52.2 | Low | 149 Ų | 149 | 101.3 Ų | 101.3 | 91% | 0.914 | 54% | 0.537 | S | S | * | . | trans | -59.4 | 106.7 | 177.6 | 37.8 | 0 | 0 | 0 | 0 | 111.2 | P128 | P128-T130 PolarHBondContact O-N 2.86Š| ||
| 131 | T | 32.1 | Very low | 48.8 | Very low | 135 Ų | 135 | 107.3 Ų | 107.3 | 83% | 0.828 | 56% | 0.564 | S | S | * | * | trans | -117.3 | 129.8 | 166.9 | -31.2 | 0 | 0 | 0 | 0 | 109.3 | Q129 | Q129-T131 PolarHBondContact O-N 2.79Å; Q129-T131 VanDerWaalsContact O-N 3.09Å | ||
| 132 | K | 26.4 | Very low | 45.5 | Very low | 208 Ų | 208 | 111 Ų | 111 | 90% | 0.904 | 60% | 0.604 | S | S | * | * | trans | -61.1 | 132.9 | -175.7 | -71.6 | 172.6 | 172.7 | 175.9 | 0 | 112.8 | ||||
| 133 | G | 25.6 | Very low | 42.2 | Very low | 66 Ų | 66 | 116.6 Ų | 116.6 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | trans | 78.4 | 120.6 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 134 | L | 25.7 | Very low | 39 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | 166.4 | 103.9 | 121.7 | -86.8 | 154.7 | 0 | 0 | 0 | 110.2 | |||||
| 135 | T | 23.3 | Very low | 35.9 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | 24.7 | 125.6 | 129.8 | 57.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 136 | S | 22.3 | Very low | 33 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | 74 | 141 | 129 | 64.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 137 | N | 24.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 91.5 | 131.2 | 165.1 | -59.1 | -1 | 0 | 0 | 0 | 113.1 | ||||
| 138 | E | 22.6 | Very low | 27.9 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | cis | 150.1 | 162.8 | 8.9 | -111.3 | 179.8 | 170.6 | 0 | 0 | 103 | ||||
| 139 | I | 25.6 | Very low | 26.2 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | 79.6 | 120.2 | 166.6 | -55.2 | 147.3 | 0 | 0 | 0 | 112.8 | ||||
| 140 | E | 23.1 | Very low | 25 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | cis | 137.7 | 131.4 | 17.3 | -104.9 | -177.6 | 161.7 | 0 | 0 | 105.4 | ||||
| 141 | Q | 22.1 | Very low | 24.3 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | 47.6 | 120.6 | 141.7 | -60.1 | -176.9 | 4.1 | 0 | 0 | 121.6 | ||||
| 142 | G | 25.2 | Very low | 23.8 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -167.4 | 90.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 143 | S | 21.7 | Very low | 23.6 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -84.2 | 130.4 | 169.2 | 68.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 144 | V | 24.9 | Very low | 23.5 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | trans | -141.4 | 117.5 | 155.8 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 145 | S | 22.4 | Very low | 23.3 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -77.6 | 134.4 | 164.7 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 146 | D | 25.6 | Very low | 23.3 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -178.2 | 130.8 | 134 | -103.3 | -6.9 | 0 | 0 | 0 | 113.5 | ||||
| 147 | K | 24.3 | Very low | 23.3 | Very low | 188 Ų | 188 | 128.1 Ų | 128.1 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | 79.9 | 130.7 | 144.5 | -66.2 | 179.6 | -177.5 | 177.4 | 0 | 122 | ||||
| 148 | V | 21.7 | Very low | 23.2 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -85.3 | 140.8 | -178.5 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 149 | D | 26 | Very low | 23.3 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -163 | 154.2 | 147.9 | -104.4 | -24.7 | 0 | 0 | 0 | 112.7 | ||||
| 150 | A | 23.3 | Very low | 23.1 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -73 | 148.9 | -154.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 151 | G | 21 | Very low | 23.3 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | 63.3 | 114.6 | 123.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 152 | G | 22.6 | Very low | 23.3 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -173.3 | 119.8 | 163 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 153 | A | 21.5 | Very low | 23.3 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 93% | 0.934 | 82% | 0.816 | S | S | * | * | trans | -65.3 | 149.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 154 | V | 23.9 | Very low | 23.4 | Very low | 131 Ų | 131 | 124 Ų | 124 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -112.2 | 124.3 | -178.5 | -170.3 | 0 | 0 | 0 | 0 | 107.1 | V156 | V154-V156 HydrophobicContact CG1-CG2 4.29Š| ||
| 155 | D | 22.3 | Very low | 23.4 | Very low | 165 Ų | 165 | 121 Ų | 121 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -116 | 127.7 | 177.7 | -160.7 | 6.6 | 0 | 0 | 0 | 108.6 | ||||
| 156 | V | 23.4 | Very low | 23.5 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 61% | 0.606 | 82% | 0.824 | S | S | * | * | trans | -121 | 110.7 | -168.8 | 179.2 | 0 | 0 | 0 | 0 | 107 | V154 | V154-V156 HydrophobicContact CG1-CG2 4.29Š| ||
| 157 | G | 22.4 | Very low | 23.4 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | -126 | 129.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 158 | L | 22.3 | Very low | 23.4 | Very low | 162 Ų | 162 | 121.2 Ų | 121.2 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | trans | -61.4 | 153.4 | -170 | -75.7 | 98.6 | 0 | 0 | 0 | 116.4 | ||||
| 159 | R | 23.9 | Very low | 23.5 | Very low | 209 Ų | 209 | 122 Ų | 122 | 79% | 0.789 | 83% | 0.83 | S | S | * | * | trans | -112.2 | 115.6 | 156.5 | -106.8 | -175.3 | 177.1 | -150.7 | -8.5 | 110.7 | ||||
| 160 | G | 22.4 | Very low | 23.3 | Very low | 79 Ų | 79 | 121.2 Ų | 121.2 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -87 | 151.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 161 | S | 26.6 | Very low | 23.3 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -128.2 | 118.5 | 171 | 64.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 162 | G | 22.9 | Very low | 23.5 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -78.1 | 161.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 163 | G | 24.6 | Very low | 23.6 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -154.8 | 111.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 164 | T | 24.1 | Very low | 23.6 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | -75.9 | 144.4 | -178.6 | 47 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 165 | G | 24.4 | Very low | 23.7 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -166.9 | 119.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 166 | T | 24.5 | Very low | 23.9 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 143.7 | -169.9 | 45.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 167 | D | 23.3 | Very low | 24.1 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 21.7 | 119.9 | 140.6 | -68 | -27.4 | 0 | 0 | 0 | 120.9 | ||||
| 168 | V | 24 | Very low | 24.2 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | -157.6 | 113.6 | 128.6 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 169 | N | 23.9 | Very low | 24.3 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 38.5 | 137.5 | 138.4 | -120 | -7 | 0 | 0 | 0 | 124.4 | ||||
| 170 | E | 21.6 | Very low | 24.4 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 72% | 0.715 | 82% | 0.819 | S | S | * | * | trans | -65.7 | 167 | 179.6 | -54.2 | 176.1 | 139.6 | 0 | 0 | 116.7 | ||||
| 171 | K | 22.9 | Very low | 24.5 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 85.1 | 100.7 | 156.2 | -70.2 | 165.2 | -178.5 | 160.1 | 0 | 117.5 | ||||
| 172 | D | 27 | Very low | 24.5 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | -159.9 | 153.5 | 109.8 | -99.9 | -27.2 | 0 | 0 | 0 | 111.9 | |||||
| 173 | I | 24.7 | Very low | 24.6 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | trans | -92.5 | 148.3 | -159.1 | -75.2 | 163.7 | 0 | 0 | 0 | 111.3 | ||||
| 174 | L | 21.6 | Very low | 24.7 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | trans | -2.8 | 120.8 | 152.9 | -67.8 | 131 | 0 | 0 | 0 | 116.7 | ||||
| 175 | D | 24.6 | Very low | 25 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | 179.1 | 154.7 | 117.4 | -106.8 | -23.6 | 0 | 0 | 0 | 113.2 | |||||
| 176 | D | 26.7 | Very low | 25.2 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 65% | 0.647 | 81% | 0.814 | S | S | * | * | trans | 83.2 | 107.6 | 154.8 | -83.5 | -22.4 | 0 | 0 | 0 | 122.3 | ||||
| 177 | Q | 27.8 | Very low | 25.3 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | 70.1 | 99.3 | 123 | -66.7 | 179.7 | 38.2 | 0 | 0 | 119.7 | G179 | Q177-G179 PolarHBondContact O-N 2.88Š| |||
| 178 | A | 24 | Very low | 25.4 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 98% | 0.975 | 82% | 0.817 | S | S | * | * | 14.2 | 73.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 179 | G | 25.7 | Very low | 25.6 | Very low | 66 Ų | 66 | 146.4 Ų | 146.4 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -128.2 | 117.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q177 G181 | Q177-G179 PolarHBondContact O-N 2.88Å; G179-G181 PolarHBondContact O-N 3.48Å | ||
| 180 | A | 25.5 | Very low | 25.9 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 98% | 0.975 | 82% | 0.816 | S | S | * | * | trans | -47.8 | 118.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 181 | G | 24.4 | Very low | 26.5 | Very low | 65 Ų | 65 | 144.1 Ų | 144.1 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | trans | -170.6 | 96.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G179 | G179-G181 PolarHBondContact O-N 3.48Š| ||
| 182 | K | 26.5 | Very low | 27.2 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | 65.1 | 103.9 | 145.4 | -65.3 | 173.9 | 178.1 | 172.4 | 0 | 117.1 | I184 | K182-I184 PolarHBondContact O-N 2.79Š| ||
| 183 | R | 25.8 | Very low | 27.9 | Very low | 249 Ų | 249 | 143.2 Ų | 143.2 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | trans | -32 | 103.5 | 150.7 | -80.6 | 176.3 | 169.3 | 167.3 | -3.8 | 110.3 | K185 | R183-K185 PolarHBondContact O-N 2.79Š| ||
| 184 | I | 25.7 | Very low | 29.3 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | trans | -63.6 | 117.8 | 169.1 | -65.8 | 173.7 | 0 | 0 | 0 | 106 | K182 K186 | K182-I184 PolarHBondContact O-N 2.79Å; I184-K186 PolarHBondContact O-N 2.74Å | ||
| 185 | K | 29.9 | Very low | 31 | Very low | 188 Ų | 188 | 142 Ų | 142 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -55.1 | 105 | 171.8 | -73.7 | 177.1 | 174 | 179.6 | 0 | 107.6 | R183 L187 | R183-K185 PolarHBondContact O-N 2.79Å; K185-L187 PolarHBondContact O-N 2.82Å | ||
| 186 | K | 29.4 | Very low | 33.1 | Very low | 211 Ų | 211 | 137.6 Ų | 137.6 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -55.1 | 110.8 | 167.5 | -97.8 | -176.4 | 172.6 | -178.7 | 0 | 107.6 | I184 | I184-K186 PolarHBondContact O-N 2.74Š| ||
| 187 | L | 25.6 | Very low | 35.2 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | trans | -63.6 | 136.1 | 171.2 | -111.3 | 87.7 | 0 | 0 | 0 | 109.5 | K185 | K185-L187 PolarHBondContact O-N 2.82Š| ||
| 188 | G | 26.3 | Very low | 37.3 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 79.9 | 97.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 189 | G | 27.6 | Very low | 39.6 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 87.8 | 79.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A191 | G189-A191 PolarHBondContact O-N 2.79Š| ||
| 190 | L | 30.6 | Very low | 41.9 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -61.6 | 100.9 | 160 | -87.6 | 97.6 | 0 | 0 | 0 | 108.6 | V192 | L190-V192 PolarHBondContact O-N 3.22Š| ||
| 191 | A | 34.4 | Very low | 43.9 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | trans | -59.8 | 113.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | G189 R193 | G189-A191 PolarHBondContact O-N 2.79Å; A191-R193 PolarHBondContact O-N 3.35Å | ||
| 192 | V | 36.6 | Very low | 46 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 76% | 0.758 | 65% | 0.648 | S | S | * | * | trans | -55.4 | 108.9 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 106 | L190 | L190-V192 PolarHBondContact O-N 3.22Š| ||
| 193 | R | 43.4 | Very low | 48.5 | Very low | 193 Ų | 193 | 114.9 Ų | 114.9 | 73% | 0.728 | 61% | 0.607 | S | S | * | * | trans | -48.8 | 129.2 | 170 | -91 | -175 | 171.7 | -168.3 | -7.6 | 106.3 | A191 Q195 | A191-R193 PolarHBondContact O-N 3.35Å; R193-Q195 PolarHBondContact O-N 2.96Å | ||
| 194 | P | 52.3 | Low | 51.1 | Low | 73 Ų | 73 | 103.3 Ų | 103.3 | 47% | 0.474 | 56% | 0.563 | S | S | . | * | trans | -48.3 | 122.1 | 171.2 | -20.9 | 29.7 | 0 | 0 | 0 | 107 | Y196 | P194-Y196 HydrophobicContact CB-CE1 4.16Å; P194-Y196 HydrophobicContact CB-CE2 4.31Å; P194-Y196 PolarHBondContact O-N 2.9Å | ||
| 195 | Q | 58.4 | Low | 54 | Low | 198 Ų | 198 | 95.7 Ų | 95.7 | 93% | 0.925 | 52% | 0.524 | S | S | * | . | trans | -70.5 | 88.3 | 173.6 | -89.3 | -178.8 | -19.9 | 0 | 0 | 106.5 | R193 | R193-Q195 PolarHBondContact O-N 2.96Š| ||
| 196 | Y | 69.4 | Low | 56.7 | Low | 57 Ų | 57 | 87.7 Ų | 87.7 | 22% | 0.224 | 49% | 0.489 | C | S | . | . | trans | -57.2 | 144.1 | 172.2 | -69.5 | -60.6 | 0 | 0 | 0 | 109.5 | P194 T198 L262 E294 | P194-Y196 HydrophobicContact CB-CE1 4.16Å; P194-Y196 HydrophobicContact CB-CE2 4.31Å; P194-Y196 PolarHBondContact O-N 2.9Å; Y196-T198 PolarHBondContact O-N 2.79Å; Y196-T198 VanDerWaalsContact O-N 3.1Å; Y196-L262 HydrophobicContact CD1-CD1 3.63Å; Y196-L262 HydrophobicContact CD2-CD1 4.25Å; Y196-L262 HydrophobicContact CE1-CD1 3.75Å; Y196-L262 HydrophobicContact CE2-CD1 4.34Å; Y196-L262 HydrophobicContact CG-CD1 3.92Å; Y196-E294 WeakPolarHBondContact OH-CG 3.48Å; Y196-E294 PolarHBondContact OH-OE1 3.21Å | ||
| 197 | S | 70.3 | Confident | 59.6 | Low | 54 Ų | 54 | 77.6 Ų | 77.6 | 38% | 0.378 | 45% | 0.445 | S | S | . | . | trans | -55 | 121.2 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | K199 A258 A259 | S197-K199 PolarHBondContact O-N 3.22Å; S197-K199 VanDerWaalsContact OG-CB 3.23Å; S197-K199 WeakPolarHBondContact OG-CB 3.44Å; S197-K199 PolarHBondContact OG-N 3.47Å; S197-A258 PolarHBondContact O-N 3.21Å; S197-A259 PolarHBondContact O-N 3.34Å | ||
| 198 | T | 72.7 | Confident | 62.6 | Low | 121 Ų | 121 | 70.5 Ų | 70.5 | 74% | 0.742 | 41% | 0.407 | S | S | * | . | trans | -76.7 | -0.7 | 169.9 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | Y196 S257 A259 | Y196-T198 PolarHBondContact O-N 2.79Å; Y196-T198 VanDerWaalsContact O-N 3.1Å; T198-S257 VanDerWaalsContact C-CB 3.49Å; T198-S257 VanDerWaalsContact O-CB 3.28Å; T198-S257 WeakPolarHBondContact O-CB 3.35Å; T198-A259 HydrophobicContact CG2-CB 4.21Å | ||
| 199 | K | 71.4 | Confident | 65.7 | Low | 60 Ų | 60 | 66.8 Ų | 66.8 | 26% | 0.261 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -76.6 | 125.4 | 173.5 | -165 | -161.8 | 172.4 | -170.1 | 0 | 109.8 | S197 Q201 S257 E1875 H1876 | S197-K199 PolarHBondContact O-N 3.22Å; S197-K199 VanDerWaalsContact OG-CB 3.23Å; S197-K199 WeakPolarHBondContact OG-CB 3.44Å; S197-K199 PolarHBondContact OG-N 3.47Å; K199-Q201 PolarHBondContact O-NE2 3.12Å; K199-S257 WeakPolarHBondContact O-CA 3.49Å; K199-E1875 WeakPolarHBondContact CE-OE2 3.26Å; K199-E1875 IonicContact NZ-OE2 2.76Å; K199-E1875 PolarHBondContact NZ-OE2 3.13Å; K199-H1876 VanDerWaalsContact CD-NE2 3.26Å; K199-H1876 WeakPolarHBondContact CD-NE2 3.45Å; K199-H1876 WeakPolarHBondContact CE-NE2 3.45Å; K199-H1876 PolarHBondContact NZ-CD2 3.2Å; K199-H1876 PolarHBondContact NZ-NE2 2.72Å |
| 200 | K | 72.9 | Confident | 68.6 | Low | 83 Ų | 83 | 63.3 Ų | 63.3 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.1 | 173.4 | -59.3 | -171 | -179.1 | -91.5 | 0 | 110.8 | F255 D256 E260 | K200-F255 HydrophobicContact CB-CE1 4.27Å; K200-F255 HydrophobicContact CB-CE2 4.24Å; K200-F255 HydrophobicContact CB-CZ 4.01Å; K200-D256 WeakPolarHBondContact CA-O 3.48Å; K200-D256 IonicContact NZ-OD1 2.73Å; K200-D256 PolarHBondContact NZ-OD1 2.83Å; K200-D256 IonicContact NZ-OD2 2.88Å; K200-E260 IonicContact NZ-OE2 3.38Å; K200-E260 PolarHBondContact NZ-OE2 2.82Å |
| 201 | Q | 69.2 | Low | 71.3 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 163.5 | -176.8 | -71.4 | 168.2 | 101.5 | 0 | 0 | 107.9 | K199 F203 F255 D256 P330 | K199-Q201 PolarHBondContact O-NE2 3.12Å; Q201-F203 HydrophobicContact CB-CE2 3.94Å; Q201-F203 HydrophobicContact CB-CZ 4.31Å; Q201-F203 WeakPolarHBondContact O-CD2 3.29Å; Q201-F255 VanDerWaalsContact C-CD2 3.48Å; Q201-F255 WeakPolarHBondContact O-CD2 3.45Å; Q201-D256 PolarHBondContact N-O 3.25Å; Q201-D256 PolarHBondContact O-N 2.81Å; Q201-P330 HydrophobicContact CB-CG 3.86Å; Q201-P330 HydrophobicContact CG-CG 4.04Å |
| 202 | D | 68.1 | Low | 73.8 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 148.5 | 176.9 | -81.2 | -95.5 | 0 | 0 | 0 | 111.8 | F254 F255 P330 S1575 G1576 L1577 L1602 | D202-F254 CarbonylContact C-O 3.54Å; D202-F254 WeakPolarHBondContact CA-O 3.4Å; D202-F255 HydrophobicContact CB-CD2 4.39Å; D202-F255 VanDerWaalsContact CG-CD2 3.46Å; D202-F255 WeakPolarHBondContact OD1-CB 3.32Å; D202-F255 WeakPolarHBondContact OD2-CD2 3.4Å; D202-F255 WeakPolarHBondContact OD2-CE2 3.16Å; D202-P330 VanDerWaalsContact O-CD 3.24Å; D202-P330 WeakPolarHBondContact O-CD 3.34Å; D202-S1575 PolarHBondContact N-O 2.93Å; D202-G1576 CarbonylContact C-O 3.59Å; D202-G1576 VanDerWaalsContact CB-C 3.48Å; D202-G1576 WeakPolarHBondContact CB-O 3.22Å; D202-G1576 WeakPolarHBondContact O-CA 3.37Å; D202-L1577 HydrophobicContact CB-CB 4.02Å; D202-L1577 HydrophobicContact CB-CD1 4Å; D202-L1577 HydrophobicContact CB-CD2 3.59Å; D202-L1577 HydrophobicContact CB-CG 3.91Å; D202-L1577 WeakPolarHBondContact OD2-CD1 3.38Å; D202-L1577 WeakPolarHBondContact OD2-CD2 3.48Å; D202-L1577 WeakPolarHBondContact OD2-CG 3.24Å; D202-L1602 HydrophobicContact CB-CD1 4.31Å |
| 203 | F | 78.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 136.9 | -178.8 | -67 | -86.6 | 0 | 0 | 0 | 110.5 | Q201 N253 F254 A258 M261 Y293 I327 L328 | Q201-F203 HydrophobicContact CB-CE2 3.94Å; Q201-F203 HydrophobicContact CB-CZ 4.31Å; Q201-F203 WeakPolarHBondContact O-CD2 3.29Å; F203-N253 CarbonylContact O-C 3.53Å; F203-N253 WeakPolarHBondContact O-CA 3.4Å; F203-F254 PolarHBondContact N-O 3.01Å; F203-F254 PolarHBondContact O-N 2.85Å; F203-A258 HydrophobicContact CE2-CB 4.44Å; F203-A258 HydrophobicContact CZ-CB 3.93Å; F203-M261 HydrophobicContact CB-CE 3.5Å; F203-M261 HydrophobicContact CD1-CE 3.33Å; F203-M261 HydrophobicContact CD2-CE 3.6Å; F203-M261 HydrophobicContact CD2-CG 4.47Å; F203-M261 HydrophobicContact CE1-CE 3.87Å; F203-M261 HydrophobicContact CE2-CE 4.11Å; F203-M261 HydrophobicContact CG-CE 3.18Å; F203-M261 HydrophobicContact CZ-CE 4.24Å; F203-Y293 HydrophobicContact CD1-CE2 4.2Å; F203-Y293 AromaticContact CE1-CE2 3.74Å; F203-Y293 HydrophobicContact CE1-CE2 3.74Å; F203-Y293 AromaticContact CE1-CZ 3.93Å; F203-I327 HydrophobicContact CD1-CG2 4.15Å; F203-L328 CarbonylContact C-O 3.59Å; F203-L328 VanDerWaalsContact CA-O 3.31Å; F203-L328 WeakPolarHBondContact CA-O 3.4Å |
| 204 | Q | 80.8 | Confident | 77.4 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.4 | 171.1 | 171.4 | 172.5 | 95.1 | 0 | 0 | 110.9 | R206 F252 N253 I327 L328 P1571 | Q204-R206 HydrophobicContact CG-CG 4.21Å; Q204-R206 VanDerWaalsContact OE1-CZ 3.3Å; Q204-F252 CarbonylContact C-O 3.54Å; Q204-F252 WeakPolarHBondContact CA-O 3.35Å; Q204-N253 VanDerWaalsContact CB-OD1 3.31Å; Q204-N253 WeakPolarHBondContact CB-OD1 3.47Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.42Å; Q204-N253 PolarHBondContact NE2-OD1 3.1Å; Q204-I327 CarbonylContact O-C 3.56Å; Q204-I327 WeakPolarHBondContact O-CA 3.47Å; Q204-L328 PolarHBondContact N-O 3.02Å; Q204-L328 PolarHBondContact O-N 2.83Å; Q204-P1571 HydrophobicContact CB-CG 3.7Å |
| 205 | I | 86.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.1 | 179.3 | -55.7 | 162.1 | 0 | 0 | 0 | 108.2 | V207 C228 F251 F252 F254 M261 L289 V325 V326 I327 | I205-V207 HydrophobicContact CG2-CG2 4.11Å; I205-C228 VanDerWaalsContact CD1-SG 3.53Å; I205-F251 CarbonylContact O-C 3.51Å; I205-F251 WeakPolarHBondContact O-CA 3.43Å; I205-F252 HydrophobicContact CB-CB 4.33Å; I205-F252 PolarHBondContact N-O 3.45Å; I205-F252 PolarHBondContact O-N 3.19Å; I205-F254 HydrophobicContact CD1-CD2 3.77Å; I205-F254 HydrophobicContact CD1-CE2 3.79Å; I205-M261 HydrophobicContact CD1-SD 4.49Å; I205-L289 HydrophobicContact CD1-CD1 3.49Å; I205-L289 VanDerWaalsContact CD1-CD1 3.49Å; I205-L289 HydrophobicContact CD1-CD2 3.7Å; I205-L289 HydrophobicContact CD1-CG 4.24Å; I205-L289 HydrophobicContact CG1-CD2 4.42Å; I205-L289 HydrophobicContact CG2-CD2 4.28Å; I205-V325 HydrophobicContact CG2-CG1 3.95Å; I205-V326 CarbonylContact C-O 3.58Å; I205-V326 VanDerWaalsContact CA-O 3.32Å; I205-V326 WeakPolarHBondContact CA-O 3.3Å; I205-I327 HydrophobicContact CG1-CD1 4.4Å; I205-I327 HydrophobicContact CG1-CG1 4.06Å; I205-I327 HydrophobicContact CG1-CG2 4.26Å; I205-I327 HydrophobicContact CG2-CG1 4.39Å |
| 206 | R | 85.4 | Confident | 79.5 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133 | 176.9 | -49.1 | -173.8 | 174 | -179.7 | 6.3 | 109 | Q204 F250 F251 V325 V326 L328 | Q204-R206 HydrophobicContact CG-CG 4.21Å; Q204-R206 VanDerWaalsContact OE1-CZ 3.3Å; R206-F250 CarbonylContact C-O 3.59Å; R206-F250 WeakPolarHBondContact CA-O 3.39Å; R206-F251 HydrophobicContact CB-CD1 4.29Å; R206-F251 HydrophobicContact CB-CE1 4.18Å; R206-F251 HydrophobicContact CG-CD1 3.75Å; R206-F251 HydrophobicContact CG-CE1 3.7Å; R206-V325 CarbonylContact O-C 3.45Å; R206-V325 WeakPolarHBondContact O-CA 3.36Å; R206-V326 HydrophobicContact CB-CB 4.19Å; R206-V326 HydrophobicContact CG-CB 4.47Å; R206-V326 PolarHBondContact N-O 3.47Å; R206-V326 PolarHBondContact O-N 2.84Å; R206-L328 VanDerWaalsContact CZ-CD1 3.42Å; R206-L328 VanDerWaalsContact NH2-CD1 3.26Å |
| 207 | V | 90.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 113.9 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | I205 I226 T249 F250 F252 L266 F268 S324 V325 | I205-V207 HydrophobicContact CG2-CG2 4.11Å; V207-I226 HydrophobicContact CB-CG2 4.37Å; V207-I226 HydrophobicContact CG1-CG1 4.27Å; V207-I226 HydrophobicContact CG1-CG2 3.94Å; V207-I226 HydrophobicContact CG2-CG2 4.35Å; V207-T249 CarbonylContact O-C 3.38Å; V207-T249 WeakPolarHBondContact O-CA 3.49Å; V207-F250 HydrophobicContact CB-CB 4.48Å; V207-F250 PolarHBondContact N-O 3.23Å; V207-F250 PolarHBondContact O-N 3.17Å; V207-F252 HydrophobicContact CB-CE2 4.43Å; V207-F252 HydrophobicContact CG2-CD2 4.2Å; V207-F252 HydrophobicContact CG2-CE2 3.99Å; V207-L266 HydrophobicContact CG2-CD1 4.14Å; V207-L266 HydrophobicContact CG2-CD2 3.86Å; V207-F268 HydrophobicContact CG1-CE1 3.31Å; V207-F268 HydrophobicContact CG1-CZ 3.44Å; V207-F268 VanDerWaalsContact CG1-CZ 3.44Å; V207-S324 CarbonylContact C-O 3.48Å; V207-S324 WeakPolarHBondContact CA-O 3.27Å; V207-V325 HydrophobicContact CG2-CG1 4.25Å; V207-V325 HydrophobicContact CG2-CG2 4.39Å |
| 208 | K | 89.2 | Confident | 78.6 | Confident | 22 Ų | 22 | 24.4 Ų | 24.4 | 10% | 0.096 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.5 | 172.2 | -173.1 | 174.6 | -172.8 | -171.2 | 0 | 110.4 | I210 D247 Q248 T249 I323 S324 M337 | K208-I210 HydrophobicContact CD-CG1 4.28Å; K208-I210 HydrophobicContact CG-CG1 4.09Å; K208-D247 WeakPolarHBondContact CE-OD1 3.36Å; K208-D247 IonicContact NZ-OD1 2.69Å; K208-D247 PolarHBondContact NZ-OD1 2.81Å; K208-D247 IonicContact NZ-OD2 2.71Å; K208-Q248 CarbonylContact C-O 3.52Å; K208-Q248 VanDerWaalsContact CA-O 3.29Å; K208-Q248 WeakPolarHBondContact CA-O 3.4Å; K208-Q248 WeakPolarHBondContact CG-O 3.37Å; K208-T249 HydrophobicContact CB-CG2 4.3Å; K208-T249 WeakPolarHBondContact CG-OG1 3.29Å; K208-I323 CarbonylContact O-C 3.51Å; K208-I323 WeakPolarHBondContact O-CA 3.18Å; K208-I323 WeakPolarHBondContact O-CB 3.32Å; K208-S324 PolarHBondContact N-O 3.11Å; K208-S324 PolarHBondContact O-N 3.46Å; K208-M337 HydrophobicContact CB-CE 3.33Å; K208-M337 HydrophobicContact CD-CE 4.08Å; K208-M337 HydrophobicContact CG-CE 4.33Å |
| 209 | V | 91.5 | Very high | 78.2 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 112.8 | 172.6 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | C224 I226 T235 W246 D247 Q248 F250 F268 L321 I323 | V209-C224 HydrophobicContact CG1-CB 4.22Å; V209-I226 HydrophobicContact CG2-CD1 3.86Å; V209-I226 HydrophobicContact CG2-CG1 3.93Å; V209-T235 HydrophobicContact CB-CG2 4.03Å; V209-T235 HydrophobicContact CG1-CG2 4.06Å; V209-T235 HydrophobicContact CG2-CG2 4.36Å; V209-W246 HydrophobicContact CG1-CD2 4.44Å; V209-W246 HydrophobicContact CG1-CE3 3.76Å; V209-W246 HydrophobicContact CG1-CZ3 4.18Å; V209-D247 WeakPolarHBondContact O-CA 3.4Å; V209-D247 PolarHBondContact O-N 3.31Å; V209-Q248 PolarHBondContact N-O 2.84Å; V209-Q248 PolarHBondContact O-N 2.91Å; V209-F250 HydrophobicContact CB-CE2 4.47Å; V209-F250 HydrophobicContact CG2-CD2 4.38Å; V209-F250 HydrophobicContact CG2-CE2 4.08Å; V209-F268 HydrophobicContact CG2-CE1 4.37Å; V209-L321 HydrophobicContact CG1-CD1 3.81Å; V209-L321 HydrophobicContact CG1-CG 4.44Å; V209-I323 HydrophobicContact CG2-CG2 4.47Å |
| 210 | I | 87.2 | Confident | 78.2 | Confident | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -63.8 | -170.5 | -57.9 | 167.5 | 0 | 0 | 0 | 109.5 | K208 F245 W246 D247 N302 K322 | K208-I210 HydrophobicContact CD-CG1 4.28Å; K208-I210 HydrophobicContact CG-CG1 4.09Å; I210-F245 HydrophobicContact CG2-CE2 3.96Å; I210-W246 PolarHBondContact O-N 3.41Å; I210-D247 PolarHBondContact O-N 3.28Å; I210-N302 WeakPolarHBondContact CD1-OD1 3.34Å; I210-K322 HydrophobicContact CB-CB 4.29Å; I210-K322 HydrophobicContact CD1-CD 4.32Å; I210-K322 HydrophobicContact CD1-CG 4.21Å; I210-K322 PolarHBondContact N-O 3.36Å |
| 211 | E | 88.1 | Confident | 78.4 | Confident | 30 Ų | 30 | 13.2 Ų | 13.2 | 14% | 0.14 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 162.3 | -177.7 | 62.5 | 178 | 174.6 | 0 | 0 | 110.8 | R213 P244 F245 W304 K322 | E211-R213 IonicContact OE1-CZ 3.09Å; E211-R213 IonicContact OE1-NE 2.71Å; E211-R213 PolarHBondContact OE1-NE 3.09Å; E211-R213 IonicContact OE1-NH2 3.45Å; E211-R213 PolarHBondContact OE1-NH2 3.11Å; E211-R213 IonicContact OE2-NE 3.48Å; E211-R213 IonicContact OE2-NH2 2.89Å; E211-P244 CarbonylContact C-O 3.5Å; E211-P244 WeakPolarHBondContact CA-O 3.23Å; E211-P244 WeakPolarHBondContact CB-O 3.4Å; E211-F245 HydrophobicContact CB-CB 4.46Å; E211-F245 HydrophobicContact CB-CD2 3.79Å; E211-W304 HydrophobicContact CG-CH2 3.8Å; E211-W304 HydrophobicContact CG-CZ2 4.49Å; E211-W304 HydrophobicContact CG-CZ3 4.46Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.16Å; E211-K322 HydrophobicContact CG-CB 3.89Å; E211-K322 HydrophobicContact CG-CD 4.34Å; E211-K322 PolarHBondContact O-N 3.42Å |
| 212 | A | 87 | Confident | 79.2 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 158.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L215 S243 P244 W246 Y320 L321 | A212-L215 HydrophobicContact CB-CD1 3.88Å; A212-L215 HydrophobicContact CB-CD2 3.9Å; A212-L215 HydrophobicContact CB-CG 3.89Å; A212-S243 CarbonylContact O-C 3.32Å; A212-S243 WeakPolarHBondContact O-CA 3.42Å; A212-P244 HydrophobicContact CB-CG 3.8Å; A212-P244 PolarHBondContact N-O 3.06Å; A212-W246 HydrophobicContact CB-CH2 4.06Å; A212-W246 HydrophobicContact CB-CZ3 3.71Å; A212-Y320 CarbonylContact C-O 3.49Å; A212-Y320 WeakPolarHBondContact CA-O 3.37Å; A212-Y320 WeakPolarHBondContact CB-O 3.43Å; A212-L321 HydrophobicContact CB-CD1 3.9Å |
| 213 | R | 81.5 | Confident | 80.1 | Confident | 23 Ų | 23 | 12.1 Ų | 12.1 | 9% | 0.087 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.8 | 176.4 | -66.4 | -177.6 | -173.6 | 179.5 | 3.1 | 109.2 | E211 L215 W304 Y320 D343 | E211-R213 IonicContact OE1-CZ 3.09Å; E211-R213 IonicContact OE1-NE 2.71Å; E211-R213 PolarHBondContact OE1-NE 3.09Å; E211-R213 IonicContact OE1-NH2 3.45Å; E211-R213 PolarHBondContact OE1-NH2 3.11Å; E211-R213 IonicContact OE2-NE 3.48Å; E211-R213 IonicContact OE2-NH2 2.89Å; R213-L215 PolarHBondContact O-N 2.95Å; R213-W304 HydrophobicContact CB-CH2 4.46Å; R213-W304 HydrophobicContact CB-CZ3 4.35Å; R213-W304 VanDerWaalsContact CD-CH2 3.5Å; R213-W304 HydrophobicContact CG-CH2 3.76Å; R213-W304 HydrophobicContact CG-CZ3 4.09Å; R213-Y320 PolarHBondContact N-O 2.78Å; R213-Y320 PolarHBondContact O-N 2.76Å; R213-D343 IonicContact CZ-OD1 2.7Å; R213-D343 IonicContact NH1-OD1 3.28Å; R213-D343 PolarHBondContact NH1-OD1 2.98Å; R213-D343 IonicContact NH2-OD1 2.88Å; R213-D343 PolarHBondContact NH2-OD1 3.31Å; R213-D343 IonicContact NH2-OD2 2.65Å |
| 214 | Q | 75.2 | Confident | 80.7 | Confident | 8 Ų | 8 | 12.1 Ų | 12.1 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 55.4 | 37.1 | 172.1 | -62.3 | 177.7 | 18.3 | 0 | 0 | 113.3 | Q216 N242 G319 Y320 S438 F472 | Q214-Q216 PolarHBondContact O-N 3.06Å; Q214-N242 PolarHBondContact N-O 2.85Å; Q214-G319 WeakPolarHBondContact O-CA 3.21Å; Q214-Y320 HydrophobicContact CB-CD2 4.23Å; Q214-Y320 HydrophobicContact CB-CE2 4.48Å; Q214-S438 PolarHBondContact NE2-O 3.13Å; Q214-S438 PolarHBondContact OE1-O 3.47Å; Q214-F472 HydrophobicContact CB-CE2 3.6Å; Q214-F472 HydrophobicContact CB-CZ 3.75Å; Q214-F472 HydrophobicContact CG-CE2 4.05Å; Q214-F472 HydrophobicContact CG-CZ 4.35Å |
| 215 | L | 79.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | trans | -62.3 | 135.7 | 172.3 | -66.2 | 179.3 | 0 | 0 | 0 | 109.8 | A212 R213 I220 P222 N242 P244 V270 I282 L307 | A212-L215 HydrophobicContact CB-CD1 3.88Å; A212-L215 HydrophobicContact CB-CD2 3.9Å; A212-L215 HydrophobicContact CB-CG 3.89Å; R213-L215 PolarHBondContact O-N 2.95Å; L215-I220 HydrophobicContact CB-CD1 3.58Å; L215-I220 HydrophobicContact CD1-CD1 4.03Å; L215-I220 HydrophobicContact CG-CD1 4.49Å; L215-P222 HydrophobicContact CD1-CB 3.5Å; L215-P222 VanDerWaalsContact CD1-CB 3.5Å; L215-P222 HydrophobicContact CD1-CG 3.89Å; L215-N242 HydrophobicContact CB-CB 4.49Å; L215-N242 WeakPolarHBondContact CB-O 3.22Å; L215-N242 WeakPolarHBondContact CG-O 3.31Å; L215-N242 PolarHBondContact N-O 3.4Å; L215-P244 HydrophobicContact CD1-CG 3.86Å; L215-V270 HydrophobicContact CD1-CG1 3.92Å; L215-V270 HydrophobicContact CD2-CG1 4.12Å; L215-I282 HydrophobicContact CB-CG2 4.28Å; L215-I282 HydrophobicContact CD2-CG2 4.37Å; L215-L307 HydrophobicContact CD2-CD1 3.66Å | ||
| 216 | Q | 73.3 | Confident | 81.6 | Confident | 30 Ų | 30 | 14.9 Ų | 14.9 | 14% | 0.14 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -66.9 | 134.8 | 177.6 | -170.2 | -179.9 | 3.9 | 0 | 0 | 111.1 | Q214 I282 K318 F472 R473 | Q214-Q216 PolarHBondContact O-N 3.06Å; Q216-I282 HydrophobicContact CB-CG2 4.32Å; Q216-K318 PolarHBondContact N-O 3.46Å; Q216-K318 VanDerWaalsContact N-O 3.11Å; Q216-F472 HydrophobicContact CG-CB 4.45Å; Q216-R473 PolarHBondContact NE2-O 3.47Å |
| 217 | G | 63.7 | Low | 81.8 | Confident | 14 Ų | 14 | 15.5 Ų | 15.5 | 14% | 0.144 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 118.6 | 144.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 218 | A | 58.6 | Low | 81.7 | Confident | 34 Ų | 34 | 15.5 Ų | 15.5 | 28% | 0.281 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -88.3 | 139.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I220 R274 | A218-I220 PolarHBondContact O-N 2.78Å; A218-I220 VanDerWaalsContact O-N 3.07Å; A218-R274 PolarHBondContact O-NH2 3.03Å |
| 219 | N | 63 | Low | 81.2 | Confident | 22 Ų | 22 | 18.4 Ų | 18.4 | 12% | 0.118 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 61.8 | 13.3 | 174.3 | -165.4 | 10.6 | 0 | 0 | 0 | 115.3 | C240 R274 T749 | N219-C240 WeakPolarHBondContact OD1-CB 3.34Å; N219-C240 PolarHBondContact OD1-SG 2.8Å; N219-R274 VanDerWaalsContact C-CZ 3.4Å; N219-R274 PolarHBondContact ND2-NH1 3.01Å; N219-R274 PolarHBondContact O-NE 3.11Å; N219-R274 VanDerWaalsContact O-NE 3.11Å; N219-R274 PolarHBondContact O-NH1 3.29Å; N219-R274 PolarHBondContact O-NH2 3.49Å; N219-R274 PolarHBondContact OD1-NH1 2.64Å; N219-T749 PolarHBondContact OD1-OG1 3.09Å |
| 220 | I | 71.7 | Confident | 80.3 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | trans | -58.5 | 154.7 | -175.4 | 56.2 | 163 | 0 | 0 | 0 | 114.3 | L215 A218 P222 C240 T241 D272 I282 | L215-I220 HydrophobicContact CB-CD1 3.58Å; L215-I220 HydrophobicContact CD1-CD1 4.03Å; L215-I220 HydrophobicContact CG-CD1 4.49Å; A218-I220 PolarHBondContact O-N 2.78Å; A218-I220 VanDerWaalsContact O-N 3.07Å; I220-P222 HydrophobicContact CD1-CB 4.44Å; I220-P222 HydrophobicContact CD1-CG 4.45Å; I220-P222 VanDerWaalsContact O-CD 3.3Å; I220-P222 WeakPolarHBondContact O-CD 3.38Å; I220-C240 CarbonylContact O-C 3.51Å; I220-C240 VanDerWaalsContact O-CA 3.26Å; I220-C240 WeakPolarHBondContact O-CA 3.48Å; I220-C240 PolarHBondContact O-N 3.44Å; I220-T241 WeakPolarHBondContact CG1-O 3.17Å; I220-T241 PolarHBondContact O-N 3.45Å; I220-D272 HydrophobicContact CB-CB 4.24Å; I220-D272 HydrophobicContact CG2-CB 4.16Å; I220-I282 HydrophobicContact CB-CD1 4.41Å; I220-I282 HydrophobicContact CD1-CD1 3.49Å; I220-I282 VanDerWaalsContact CD1-CD1 3.49Å; I220-I282 HydrophobicContact CG2-CD1 4.44Å | ||
| 221 | S | 76.5 | Confident | 80 | Confident | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | trans | -113.1 | 82.5 | 169.4 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | R238 N239 D272 S273 R274 | S221-R238 CarbonylContact C-O 3.59Å; S221-R238 WeakPolarHBondContact CA-O 3.22Å; S221-R238 WeakPolarHBondContact CB-O 3.29Å; S221-N239 WeakPolarHBondContact OG-CA 3.27Å; S221-D272 PolarHBondContact N-OD1 2.96Å; S221-S273 VanDerWaalsContact CB-OG 3.31Å; S221-S273 WeakPolarHBondContact CB-OG 3.14Å; S221-S273 WeakPolarHBondContact O-CB 3.24Å; S221-S273 PolarHBondContact O-N 2.9Å; S221-S273 PolarHBondContact O-OG 3.49Å; S221-R274 WeakPolarHBondContact OG-CD 3.37Å; S221-R274 WeakPolarHBondContact OG-CG 3.02Å | ||
| 222 | P | 86 | Confident | 79.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 142.2 | -168.9 | 25.2 | -37.4 | 0 | 0 | 0 | 114.8 | L215 I220 R238 T241 P244 W246 V270 Y271 | L215-P222 HydrophobicContact CD1-CB 3.5Å; L215-P222 VanDerWaalsContact CD1-CB 3.5Å; L215-P222 HydrophobicContact CD1-CG 3.89Å; I220-P222 HydrophobicContact CD1-CB 4.44Å; I220-P222 HydrophobicContact CD1-CG 4.45Å; I220-P222 VanDerWaalsContact O-CD 3.3Å; I220-P222 WeakPolarHBondContact O-CD 3.38Å; P222-R238 WeakPolarHBondContact CD-O 3.46Å; P222-R238 HydrophobicContact CG-CB 4.43Å; P222-R238 VanDerWaalsContact N-O 3.16Å; P222-R238 PolarHBondContact O-N 2.92Å; P222-R238 VanDerWaalsContact O-N 3.12Å; P222-T241 WeakPolarHBondContact CD-O 3.27Å; P222-T241 HydrophobicContact CG-CG2 4.3Å; P222-T241 VanDerWaalsContact CG-O 3.32Å; P222-T241 WeakPolarHBondContact CG-O 3.4Å; P222-P244 HydrophobicContact CB-CG 4.01Å; P222-P244 HydrophobicContact CG-CB 3.67Å; P222-P244 HydrophobicContact CG-CG 3.44Å; P222-P244 VanDerWaalsContact CG-CG 3.44Å; P222-W246 HydrophobicContact CB-CH2 4.23Å; P222-W246 HydrophobicContact CB-CZ2 3.98Å; P222-W246 HydrophobicContact CG-CZ2 4.35Å; P222-V270 HydrophobicContact CB-CG1 4.1Å; P222-Y271 CarbonylContact C-O 3.53Å; P222-Y271 VanDerWaalsContact CA-O 3.26Å; P222-Y271 WeakPolarHBondContact CA-O 3.47Å |
| 223 | I | 88.5 | Confident | 79.8 | Confident | 33 Ų | 33 | 34.9 Ų | 34.9 | 17% | 0.169 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.7 | 167.8 | -174.7 | 169.4 | 0 | 0 | 0 | 109.4 | D234 T235 V237 V270 Y271 | I223-D234 HydrophobicContact CD1-CB 4.08Å; I223-D234 HydrophobicContact CG1-CB 4.42Å; I223-T235 WeakPolarHBondContact CD1-O 3.46Å; I223-T235 VanDerWaalsContact CG1-O 3.25Å; I223-T235 WeakPolarHBondContact CG1-O 3.17Å; I223-V237 HydrophobicContact CB-CG2 4.29Å; I223-V237 HydrophobicContact CD1-CG2 4.1Å; I223-V270 CarbonylContact O-C 3.54Å; I223-V270 WeakPolarHBondContact O-CA 3.18Å; I223-Y271 PolarHBondContact N-O 3.47Å; I223-Y271 PolarHBondContact O-N 3.43Å |
| 224 | C | 91.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.7 | 179.4 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | V209 D234 T235 W246 T269 V270 L321 | V209-C224 HydrophobicContact CG1-CB 4.22Å; C224-D234 CarbonylContact O-C 3.54Å; C224-D234 WeakPolarHBondContact O-CA 3.23Å; C224-T235 HydrophobicContact CB-CG2 3.9Å; C224-T235 PolarHBondContact N-OG1 2.96Å; C224-T235 PolarHBondContact O-N 2.79Å; C224-W246 HydrophobicContact CB-CH2 4.24Å; C224-W246 HydrophobicContact CB-CZ2 4.45Å; C224-T269 CarbonylContact C-O 3.52Å; C224-V270 HydrophobicContact CB-CG2 4.32Å; C224-L321 VanDerWaalsContact SG-CD2 3.59Å |
| 225 | K | 92.6 | Very high | 80.7 | Confident | 64 Ų | 64 | 37.5 Ų | 37.5 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.8 | 174.2 | 175.5 | 163.1 | -135.4 | 158.6 | 0 | 110.4 | K233 D234 F268 T269 Y271 | K225-K233 CarbonylContact C-O 3.56Å; K225-K233 WeakPolarHBondContact CA-O 3.31Å; K225-D234 WeakPolarHBondContact CA-OD1 3.41Å; K225-D234 WeakPolarHBondContact CB-OD1 3.32Å; K225-D234 WeakPolarHBondContact CD-OD1 3.48Å; K225-D234 VanDerWaalsContact CE-OD1 3.23Å; K225-D234 WeakPolarHBondContact CE-OD1 3.49Å; K225-D234 WeakPolarHBondContact CG-OD1 3.45Å; K225-D234 IonicContact NZ-OD1 3.9Å; K225-F268 CarbonylContact O-C 3.6Å; K225-F268 WeakPolarHBondContact O-CA 3.4Å; K225-T269 PolarHBondContact N-O 3.31Å; K225-T269 PolarHBondContact O-N 3.03Å; K225-Y271 HydrophobicContact CB-CD2 4.3Å; K225-Y271 HydrophobicContact CB-CE2 3.82Å; K225-Y271 HydrophobicContact CD-CE2 4Å; K225-Y271 HydrophobicContact CG-CE2 4.49Å |
| 226 | I | 93.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125 | 179.1 | -52.2 | 83.5 | 0 | 0 | 0 | 107 | V207 V209 S232 K233 T235 F250 F252 L266 V267 F268 | V207-I226 HydrophobicContact CB-CG2 4.37Å; V207-I226 HydrophobicContact CG1-CG1 4.27Å; V207-I226 HydrophobicContact CG1-CG2 3.94Å; V207-I226 HydrophobicContact CG2-CG2 4.35Å; V209-I226 HydrophobicContact CG2-CD1 3.86Å; V209-I226 HydrophobicContact CG2-CG1 3.93Å; I226-S232 CarbonylContact O-C 3.58Å; I226-S232 WeakPolarHBondContact O-CA 3.44Å; I226-K233 WeakPolarHBondContact CD1-O 3.41Å; I226-K233 PolarHBondContact N-O 2.83Å; I226-K233 PolarHBondContact O-N 2.9Å; I226-T235 HydrophobicContact CD1-CG2 4.46Å; I226-F250 HydrophobicContact CD1-CD2 3.49Å; I226-F250 VanDerWaalsContact CD1-CD2 3.49Å; I226-F250 HydrophobicContact CD1-CE2 3.29Å; I226-F250 HydrophobicContact CD1-CG 4.22Å; I226-F250 HydrophobicContact CD1-CZ 3.85Å; I226-F250 HydrophobicContact CG1-CD2 4.12Å; I226-F250 HydrophobicContact CG1-CE2 4.34Å; I226-F252 HydrophobicContact CB-CZ 4.17Å; I226-F252 HydrophobicContact CG2-CE2 3.75Å; I226-F252 HydrophobicContact CG2-CZ 3.77Å; I226-L266 HydrophobicContact CG2-CD1 4.04Å; I226-V267 CarbonylContact C-O 3.55Å; I226-V267 WeakPolarHBondContact CA-O 3.36Å; I226-F268 HydrophobicContact CG1-CD1 3.91Å; I226-F268 HydrophobicContact CG1-CE1 3.92Å; I226-F268 HydrophobicContact CG2-CD1 4.29Å; I226-F268 HydrophobicContact CG2-CE1 3.96Å; I226-F268 HydrophobicContact CG2-CZ 4.27Å |
| 227 | T | 90 | Very high | 80.8 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.2 | 175.6 | -55.4 | 0 | 0 | 0 | 0 | 109.2 | E231 S232 V267 | T227-E231 CarbonylContact C-O 3.55Å; T227-E231 WeakPolarHBondContact CA-O 3.23Å; T227-E231 WeakPolarHBondContact CG2-O 3.42Å; T227-S232 WeakPolarHBondContact CG2-OG 3.37Å; T227-S232 PolarHBondContact OG1-OG 3.45Å; T227-V267 PolarHBondContact N-O 2.84Å; T227-V267 PolarHBondContact O-N 3.28Å |
| 228 | C | 86.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.8 | 173.4 | -163.9 | 0 | 0 | 0 | 0 | 108.4 | I205 K230 E231 F252 F254 L266 | I205-C228 VanDerWaalsContact CD1-SG 3.53Å; C228-K230 PolarHBondContact O-N 3.33Å; C228-E231 PolarHBondContact N-O 2.97Å; C228-E231 PolarHBondContact O-N 3.43Å; C228-F252 HydrophobicContact CB-CB 3.96Å; C228-F252 HydrophobicContact CB-CD1 3.5Å; C228-F252 VanDerWaalsContact CB-CD1 3.5Å; C228-F252 HydrophobicContact CB-CD2 3.64Å; C228-F252 HydrophobicContact CB-CE1 3.77Å; C228-F252 HydrophobicContact CB-CE2 3.93Å; C228-F252 HydrophobicContact CB-CG 3.42Å; C228-F252 VanDerWaalsContact CB-CG 3.42Å; C228-F252 HydrophobicContact CB-CZ 3.98Å; C228-F254 HydrophobicContact CB-CE2 4.28Å; C228-F254 HydrophobicContact CB-CZ 4.3Å; C228-F254 VanDerWaalsContact SG-CE2 3.58Å; C228-L266 HydrophobicContact CB-CD1 3.43Å; C228-L266 VanDerWaalsContact CB-CD1 3.43Å; C228-L266 VanDerWaalsContact SG-CD1 3.58Å |
| 229 | W | 78.6 | Confident | 81.5 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -98.3 | -176.3 | -167 | 20.3 | 0 | 0 | 0 | 113.6 | F254 Q264 Q265 | W229-F254 HydrophobicContact CB-CE1 4.25Å; W229-F254 HydrophobicContact CB-CE2 4.44Å; W229-F254 HydrophobicContact CB-CZ 3.93Å; W229-F254 HydrophobicContact CD2-CD1 4.45Å; W229-F254 HydrophobicContact CD2-CE1 4.35Å; W229-F254 HydrophobicContact CE3-CB 4.34Å; W229-F254 AromaticContact CE3-CD1 3.22Å; W229-F254 HydrophobicContact CE3-CD1 3.22Å; W229-F254 HydrophobicContact CE3-CD2 4.31Å; W229-F254 AromaticContact CE3-CE1 3.45Å; W229-F254 HydrophobicContact CE3-CE1 3.45Å; W229-F254 VanDerWaalsContact CE3-CE1 3.45Å; W229-F254 HydrophobicContact CE3-CE2 4.49Å; W229-F254 AromaticContact CE3-CG 3.69Å; W229-F254 HydrophobicContact CE3-CG 3.69Å; W229-F254 HydrophobicContact CE3-CZ 4.09Å; W229-F254 HydrophobicContact CZ3-CB 4.08Å; W229-F254 AromaticContact CZ3-CD1 3.52Å; W229-F254 HydrophobicContact CZ3-CD1 3.52Å; W229-F254 HydrophobicContact CZ3-CE1 4.18Å; W229-F254 AromaticContact CZ3-CG 3.92Å; W229-F254 HydrophobicContact CZ3-CG 3.92Å; W229-Q264 HydrophobicContact CD2-CG 4.2Å; W229-Q264 HydrophobicContact CG-CB 4.42Å; W229-Q264 HydrophobicContact CG-CG 4.09Å; W229-Q264 VanDerWaalsContact NE1-OE1 3.1Å; W229-Q265 PolarHBondContact N-O 2.94Å |
| 230 | K | 73.8 | Confident | 81.5 | Confident | 177 Ų | 177 | 55.3 Ų | 55.3 | 77% | 0.77 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -5.1 | 178.8 | -64.8 | -178.6 | -175.3 | 171.5 | 0 | 114.3 | C228 | C228-K230 PolarHBondContact O-N 3.33Š|
| 231 | E | 80.9 | Confident | 81.3 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 144.1 | -175.8 | -67.5 | -172.3 | 177.7 | 0 | 0 | 111.8 | T227 C228 F252 | T227-E231 CarbonylContact C-O 3.55Å; T227-E231 WeakPolarHBondContact CA-O 3.23Å; T227-E231 WeakPolarHBondContact CG2-O 3.42Å; C228-E231 PolarHBondContact N-O 2.97Å; C228-E231 PolarHBondContact O-N 3.43Å; E231-F252 HydrophobicContact CB-CD1 3.75Å; E231-F252 HydrophobicContact CB-CE1 3.92Å |
| 232 | S | 85.7 | Confident | 81.2 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 43% | 0.427 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.9 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | I226 T227 | I226-S232 CarbonylContact O-C 3.58Å; I226-S232 WeakPolarHBondContact O-CA 3.44Å; T227-S232 WeakPolarHBondContact CG2-OG 3.37Å; T227-S232 PolarHBondContact OG1-OG 3.45Å |
| 233 | K | 84.6 | Confident | 80.8 | Confident | 72 Ų | 72 | 62 Ų | 62 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 147.8 | 175.6 | -64.2 | -174.9 | 174.5 | 178.9 | 0 | 111.2 | K225 I226 F250 F251 F252 | K225-K233 CarbonylContact C-O 3.56Å; K225-K233 WeakPolarHBondContact CA-O 3.31Å; I226-K233 WeakPolarHBondContact CD1-O 3.41Å; I226-K233 PolarHBondContact N-O 2.83Å; I226-K233 PolarHBondContact O-N 2.9Å; K233-F250 HydrophobicContact CB-CD1 3.5Å; K233-F250 HydrophobicContact CB-CE1 3.91Å; K233-F250 HydrophobicContact CB-CG 4.15Å; K233-F250 HydrophobicContact CD-CB 4.06Å; K233-F250 HydrophobicContact CD-CD1 3.85Å; K233-F250 HydrophobicContact CD-CG 4.39Å; K233-F250 HydrophobicContact CG-CD1 4.26Å; K233-F251 WeakPolarHBondContact CE-O 3.34Å; K233-F251 PolarHBondContact NZ-O 3.42Å; K233-F252 HydrophobicContact CB-CZ 4.49Å; K233-F252 HydrophobicContact CD-CE1 4.47Å; K233-F252 HydrophobicContact CD-CZ 4.46Å; K233-F252 HydrophobicContact CG-CE1 4.29Å; K233-F252 HydrophobicContact CG-CZ 4.35Å |
| 234 | D | 87.8 | Confident | 80.6 | Confident | 78 Ų | 78 | 60.5 Ų | 60.5 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.4 | -173.2 | -59.4 | -15.1 | 0 | 0 | 0 | 112.5 | I223 C224 K225 F250 | I223-D234 HydrophobicContact CD1-CB 4.08Å; I223-D234 HydrophobicContact CG1-CB 4.42Å; C224-D234 CarbonylContact O-C 3.54Å; C224-D234 WeakPolarHBondContact O-CA 3.23Å; K225-D234 WeakPolarHBondContact CA-OD1 3.41Å; K225-D234 WeakPolarHBondContact CB-OD1 3.32Å; K225-D234 WeakPolarHBondContact CD-OD1 3.48Å; K225-D234 VanDerWaalsContact CE-OD1 3.23Å; K225-D234 WeakPolarHBondContact CE-OD1 3.49Å; K225-D234 WeakPolarHBondContact CG-OD1 3.45Å; K225-D234 IonicContact NZ-OD1 3.9Å; D234-F250 WeakPolarHBondContact O-CE1 3.36Å; D234-F250 WeakPolarHBondContact O-CZ 3.24Å |
| 235 | T | 87.3 | Confident | 80.2 | Confident | 8 Ų | 8 | 65 Ų | 65 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 173 | 173.4 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | V209 I223 C224 I226 W246 F250 | V209-T235 HydrophobicContact CB-CG2 4.03Å; V209-T235 HydrophobicContact CG1-CG2 4.06Å; V209-T235 HydrophobicContact CG2-CG2 4.36Å; I223-T235 WeakPolarHBondContact CD1-O 3.46Å; I223-T235 VanDerWaalsContact CG1-O 3.25Å; I223-T235 WeakPolarHBondContact CG1-O 3.17Å; C224-T235 HydrophobicContact CB-CG2 3.9Å; C224-T235 PolarHBondContact N-OG1 2.96Å; C224-T235 PolarHBondContact O-N 2.79Å; I226-T235 HydrophobicContact CD1-CG2 4.46Å; T235-W246 HydrophobicContact CG2-CG 4.33Å; T235-W246 PolarHBondContact OG1-NE1 3.46Å; T235-F250 HydrophobicContact CG2-CE2 3.73Å; T235-F250 HydrophobicContact CG2-CZ 3.7Å |
| 236 | R | 78.3 | Confident | 79.8 | Confident | 194 Ų | 194 | 62.6 Ų | 62.6 | 73% | 0.732 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 151 | 167.5 | -66.2 | 176.5 | -172.2 | -173.5 | 1.2 | 111.3 | W246 Q248 | R236-W246 PolarHBondContact O-NE1 3.11Å; R236-Q248 VanDerWaalsContact CG-NE2 3.28Å |
| 237 | V | 77.3 | Confident | 79.3 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 137.4 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | I223 S273 | I223-V237 HydrophobicContact CB-CG2 4.29Å; I223-V237 HydrophobicContact CD1-CG2 4.1Å; V237-S273 WeakPolarHBondContact CG1-OG 3.4Å |
| 238 | R | 74.5 | Confident | 78.8 | Confident | 113 Ų | 113 | 66.1 Ų | 66.1 | 43% | 0.426 | 32% | 0.317 | S | S | . | . | trans | -112 | 129.5 | 167 | -72.3 | -62.9 | -167.4 | 179.1 | 1.2 | 109 | S221 P222 T241 P244 F245 | S221-R238 CarbonylContact C-O 3.59Å; S221-R238 WeakPolarHBondContact CA-O 3.22Å; S221-R238 WeakPolarHBondContact CB-O 3.29Å; P222-R238 WeakPolarHBondContact CD-O 3.46Å; P222-R238 HydrophobicContact CG-CB 4.43Å; P222-R238 VanDerWaalsContact N-O 3.16Å; P222-R238 PolarHBondContact O-N 2.92Å; P222-R238 VanDerWaalsContact O-N 3.12Å; R238-T241 HydrophobicContact CB-CG2 3.93Å; R238-P244 HydrophobicContact CB-CB 3.74Å; R238-P244 HydrophobicContact CG-CB 3.82Å; R238-F245 PolarHBondContact NE-O 3.39Å; R238-F245 PolarHBondContact NH2-O 2.86Å | ||
| 239 | N | 63.5 | Low | 78.5 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | trans | -89.7 | 143.7 | -173.4 | -59 | -22.4 | 0 | 0 | 0 | 111.8 | S221 T241 | S221-N239 WeakPolarHBondContact OG-CA 3.27Å; N239-T241 PolarHBondContact O-N 2.85Å | ||
| 240 | C | 63 | Low | 78.7 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 10% | 0.095 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 53.9 | 42.9 | 166 | -53.1 | 0 | 0 | 0 | 0 | 114.8 | N219 I220 S745 | N219-C240 WeakPolarHBondContact OD1-CB 3.34Å; N219-C240 PolarHBondContact OD1-SG 2.8Å; I220-C240 CarbonylContact O-C 3.51Å; I220-C240 VanDerWaalsContact O-CA 3.26Å; I220-C240 WeakPolarHBondContact O-CA 3.48Å; I220-C240 PolarHBondContact O-N 3.44Å; C240-S745 PolarHBondContact SG-OG 2.87Å |
| 241 | T | 66.5 | Low | 78.9 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | trans | -145.9 | 135.5 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | I220 P222 R238 N239 S243 P244 | I220-T241 WeakPolarHBondContact CG1-O 3.17Å; I220-T241 PolarHBondContact O-N 3.45Å; P222-T241 WeakPolarHBondContact CD-O 3.27Å; P222-T241 HydrophobicContact CG-CG2 4.3Å; P222-T241 VanDerWaalsContact CG-O 3.32Å; P222-T241 WeakPolarHBondContact CG-O 3.4Å; R238-T241 HydrophobicContact CB-CG2 3.93Å; N239-T241 PolarHBondContact O-N 2.85Å; T241-S243 VanDerWaalsContact C-N 3.34Å; T241-S243 PolarHBondContact OG1-N 2.87Å; T241-S243 VanDerWaalsContact OG1-N 3.1Å; T241-P244 HydrophobicContact CG2-CB 3.91Å | ||
| 242 | N | 74.8 | Confident | 79 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -89.3 | -4.2 | 170.7 | 66.2 | 6.1 | 0 | 0 | 0 | 113.1 | Q214 L215 P244 | Q214-N242 PolarHBondContact N-O 2.85Å; L215-N242 HydrophobicContact CB-CB 4.49Å; L215-N242 WeakPolarHBondContact CB-O 3.22Å; L215-N242 WeakPolarHBondContact CG-O 3.31Å; L215-N242 PolarHBondContact N-O 3.4Å; N242-P244 VanDerWaalsContact C-CD 3.48Å |
| 243 | S | 78.5 | Confident | 78.7 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -133.3 | 63.4 | -177.9 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | A212 T241 | A212-S243 CarbonylContact O-C 3.32Å; A212-S243 WeakPolarHBondContact O-CA 3.42Å; T241-S243 VanDerWaalsContact C-N 3.34Å; T241-S243 PolarHBondContact OG1-N 2.87Å; T241-S243 VanDerWaalsContact OG1-N 3.1Å |
| 244 | P | 83.1 | Confident | 78.5 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | trans | -72.1 | 144.4 | -175.3 | 31.6 | -39.4 | 0 | 0 | 0 | 113.1 | E211 A212 L215 P222 R238 T241 N242 W246 | E211-P244 CarbonylContact C-O 3.5Å; E211-P244 WeakPolarHBondContact CA-O 3.23Å; E211-P244 WeakPolarHBondContact CB-O 3.4Å; A212-P244 HydrophobicContact CB-CG 3.8Å; A212-P244 PolarHBondContact N-O 3.06Å; L215-P244 HydrophobicContact CD1-CG 3.86Å; P222-P244 HydrophobicContact CB-CG 4.01Å; P222-P244 HydrophobicContact CG-CB 3.67Å; P222-P244 HydrophobicContact CG-CG 3.44Å; P222-P244 VanDerWaalsContact CG-CG 3.44Å; R238-P244 HydrophobicContact CB-CB 3.74Å; R238-P244 HydrophobicContact CG-CB 3.82Å; T241-P244 HydrophobicContact CG2-CB 3.91Å; N242-P244 VanDerWaalsContact C-CD 3.48Å; P244-W246 HydrophobicContact CB-CD2 4.39Å; P244-W246 HydrophobicContact CB-CE3 4.42Å; P244-W246 HydrophobicContact CB-CH2 3.92Å; P244-W246 HydrophobicContact CB-CZ2 3.83Å; P244-W246 HydrophobicContact CB-CZ3 4.21Å; P244-W246 HydrophobicContact CG-CE3 4.23Å; P244-W246 HydrophobicContact CG-CH2 3.2Å; P244-W246 HydrophobicContact CG-CZ2 3.59Å; P244-W246 HydrophobicContact CG-CZ3 3.55Å | ||
| 245 | F | 84 | Confident | 77.9 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.3 | 171 | -173.4 | -91.7 | 0 | 0 | 0 | 110.4 | I210 E211 R238 D247 | I210-F245 HydrophobicContact CG2-CE2 3.96Å; E211-F245 HydrophobicContact CB-CB 4.46Å; E211-F245 HydrophobicContact CB-CD2 3.79Å; R238-F245 PolarHBondContact NE-O 3.39Å; R238-F245 PolarHBondContact NH2-O 2.86Å; F245-D247 HydrophobicContact CE1-CB 3.77Å; F245-D247 HydrophobicContact CZ-CB 3.97Å |
| 246 | W | 83.8 | Confident | 77.3 | Confident | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -51.9 | -177.2 | -68.8 | -78 | 0 | 0 | 0 | 114.2 | V209 I210 A212 P222 C224 T235 R236 P244 Q248 L321 | V209-W246 HydrophobicContact CG1-CD2 4.44Å; V209-W246 HydrophobicContact CG1-CE3 3.76Å; V209-W246 HydrophobicContact CG1-CZ3 4.18Å; I210-W246 PolarHBondContact O-N 3.41Å; A212-W246 HydrophobicContact CB-CH2 4.06Å; A212-W246 HydrophobicContact CB-CZ3 3.71Å; P222-W246 HydrophobicContact CB-CH2 4.23Å; P222-W246 HydrophobicContact CB-CZ2 3.98Å; P222-W246 HydrophobicContact CG-CZ2 4.35Å; C224-W246 HydrophobicContact CB-CH2 4.24Å; C224-W246 HydrophobicContact CB-CZ2 4.45Å; T235-W246 HydrophobicContact CG2-CG 4.33Å; T235-W246 PolarHBondContact OG1-NE1 3.46Å; R236-W246 PolarHBondContact O-NE1 3.11Å; P244-W246 HydrophobicContact CB-CD2 4.39Å; P244-W246 HydrophobicContact CB-CE3 4.42Å; P244-W246 HydrophobicContact CB-CH2 3.92Å; P244-W246 HydrophobicContact CB-CZ2 3.83Å; P244-W246 HydrophobicContact CB-CZ3 4.21Å; P244-W246 HydrophobicContact CG-CE3 4.23Å; P244-W246 HydrophobicContact CG-CH2 3.2Å; P244-W246 HydrophobicContact CG-CZ2 3.59Å; P244-W246 HydrophobicContact CG-CZ3 3.55Å; W246-Q248 HydrophobicContact CB-CG 4.4Å; W246-L321 HydrophobicContact CZ3-CD1 3.8Å |
| 247 | D | 81.6 | Confident | 77.3 | Confident | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.7 | 53.9 | -174 | -157.7 | 33.9 | 0 | 0 | 0 | 114.4 | K208 V209 I210 F245 | K208-D247 WeakPolarHBondContact CE-OD1 3.36Å; K208-D247 IonicContact NZ-OD1 2.69Å; K208-D247 PolarHBondContact NZ-OD1 2.81Å; K208-D247 IonicContact NZ-OD2 2.71Å; V209-D247 WeakPolarHBondContact O-CA 3.4Å; V209-D247 PolarHBondContact O-N 3.31Å; I210-D247 PolarHBondContact O-N 3.28Å; F245-D247 HydrophobicContact CE1-CB 3.77Å; F245-D247 HydrophobicContact CZ-CB 3.97Å |
| 248 | Q | 80.1 | Confident | 77.3 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.4 | -176.1 | -68.9 | 177.5 | 30.7 | 0 | 0 | 113.4 | K208 V209 R236 W246 F250 | K208-Q248 CarbonylContact C-O 3.52Å; K208-Q248 VanDerWaalsContact CA-O 3.29Å; K208-Q248 WeakPolarHBondContact CA-O 3.4Å; K208-Q248 WeakPolarHBondContact CG-O 3.37Å; V209-Q248 PolarHBondContact N-O 2.84Å; V209-Q248 PolarHBondContact O-N 2.91Å; R236-Q248 VanDerWaalsContact CG-NE2 3.28Å; W246-Q248 HydrophobicContact CB-CG 4.4Å; Q248-F250 HydrophobicContact CB-CE2 4.27Å; Q248-F250 HydrophobicContact CB-CZ 4.29Å |
| 249 | T | 80.3 | Confident | 77.4 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.1 | -176.4 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | V207 K208 F251 | V207-T249 CarbonylContact O-C 3.38Å; V207-T249 WeakPolarHBondContact O-CA 3.49Å; K208-T249 HydrophobicContact CB-CG2 4.3Å; K208-T249 WeakPolarHBondContact CG-OG1 3.29Å; T249-F251 HydrophobicContact CG2-CE2 4.03Å; T249-F251 HydrophobicContact CG2-CZ 3.8Å |
| 250 | F | 84.1 | Confident | 78.1 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 155.7 | -176.6 | -55.7 | -78.4 | 0 | 0 | 0 | 111.4 | R206 V207 V209 I226 K233 D234 T235 Q248 F252 | R206-F250 CarbonylContact C-O 3.59Å; R206-F250 WeakPolarHBondContact CA-O 3.39Å; V207-F250 HydrophobicContact CB-CB 4.48Å; V207-F250 PolarHBondContact N-O 3.23Å; V207-F250 PolarHBondContact O-N 3.17Å; V209-F250 HydrophobicContact CB-CE2 4.47Å; V209-F250 HydrophobicContact CG2-CD2 4.38Å; V209-F250 HydrophobicContact CG2-CE2 4.08Å; I226-F250 HydrophobicContact CD1-CD2 3.49Å; I226-F250 VanDerWaalsContact CD1-CD2 3.49Å; I226-F250 HydrophobicContact CD1-CE2 3.29Å; I226-F250 HydrophobicContact CD1-CG 4.22Å; I226-F250 HydrophobicContact CD1-CZ 3.85Å; I226-F250 HydrophobicContact CG1-CD2 4.12Å; I226-F250 HydrophobicContact CG1-CE2 4.34Å; K233-F250 HydrophobicContact CB-CD1 3.5Å; K233-F250 HydrophobicContact CB-CE1 3.91Å; K233-F250 HydrophobicContact CB-CG 4.15Å; K233-F250 HydrophobicContact CD-CB 4.06Å; K233-F250 HydrophobicContact CD-CD1 3.85Å; K233-F250 HydrophobicContact CD-CG 4.39Å; K233-F250 HydrophobicContact CG-CD1 4.26Å; D234-F250 WeakPolarHBondContact O-CE1 3.36Å; D234-F250 WeakPolarHBondContact O-CZ 3.24Å; T235-F250 HydrophobicContact CG2-CE2 3.73Å; T235-F250 HydrophobicContact CG2-CZ 3.7Å; Q248-F250 HydrophobicContact CB-CE2 4.27Å; Q248-F250 HydrophobicContact CB-CZ 4.29Å; F250-F252 HydrophobicContact CB-CE2 4.36Å |
| 251 | F | 77.6 | Confident | 79 | Confident | 29 Ų | 29 | 35.9 Ų | 35.9 | 13% | 0.127 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.9 | -175.9 | -59.1 | -90.6 | 0 | 0 | 0 | 111.2 | I205 R206 K233 T249 I1764 | I205-F251 CarbonylContact O-C 3.51Å; I205-F251 WeakPolarHBondContact O-CA 3.43Å; R206-F251 HydrophobicContact CB-CD1 4.29Å; R206-F251 HydrophobicContact CB-CE1 4.18Å; R206-F251 HydrophobicContact CG-CD1 3.75Å; R206-F251 HydrophobicContact CG-CE1 3.7Å; K233-F251 WeakPolarHBondContact CE-O 3.34Å; K233-F251 PolarHBondContact NZ-O 3.42Å; T249-F251 HydrophobicContact CG2-CE2 4.03Å; T249-F251 HydrophobicContact CG2-CZ 3.8Å; F251-I1764 HydrophobicContact CE1-CG2 4.13Å; F251-I1764 HydrophobicContact CE2-CG2 3.54Å; F251-I1764 HydrophobicContact CZ-CG2 3.18Å |
| 252 | F | 83.1 | Confident | 79.8 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 130.4 | 175.6 | -55.4 | -88.5 | 0 | 0 | 0 | 109.5 | Q204 I205 V207 I226 C228 E231 K233 F250 F254 | Q204-F252 CarbonylContact C-O 3.54Å; Q204-F252 WeakPolarHBondContact CA-O 3.35Å; I205-F252 HydrophobicContact CB-CB 4.33Å; I205-F252 PolarHBondContact N-O 3.45Å; I205-F252 PolarHBondContact O-N 3.19Å; V207-F252 HydrophobicContact CB-CE2 4.43Å; V207-F252 HydrophobicContact CG2-CD2 4.2Å; V207-F252 HydrophobicContact CG2-CE2 3.99Å; I226-F252 HydrophobicContact CB-CZ 4.17Å; I226-F252 HydrophobicContact CG2-CE2 3.75Å; I226-F252 HydrophobicContact CG2-CZ 3.77Å; C228-F252 HydrophobicContact CB-CB 3.96Å; C228-F252 HydrophobicContact CB-CD1 3.5Å; C228-F252 VanDerWaalsContact CB-CD1 3.5Å; C228-F252 HydrophobicContact CB-CD2 3.64Å; C228-F252 HydrophobicContact CB-CE1 3.77Å; C228-F252 HydrophobicContact CB-CE2 3.93Å; C228-F252 HydrophobicContact CB-CG 3.42Å; C228-F252 VanDerWaalsContact CB-CG 3.42Å; C228-F252 HydrophobicContact CB-CZ 3.98Å; E231-F252 HydrophobicContact CB-CD1 3.75Å; E231-F252 HydrophobicContact CB-CE1 3.92Å; K233-F252 HydrophobicContact CB-CZ 4.49Å; K233-F252 HydrophobicContact CD-CE1 4.47Å; K233-F252 HydrophobicContact CD-CZ 4.46Å; K233-F252 HydrophobicContact CG-CE1 4.29Å; K233-F252 HydrophobicContact CG-CZ 4.35Å; F250-F252 HydrophobicContact CB-CE2 4.36Å; F252-F254 HydrophobicContact CB-CE2 3.74Å; F252-F254 HydrophobicContact CB-CZ 3.95Å |
| 253 | N | 78.9 | Confident | 80 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 10% | 0.096 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.8 | -175.8 | -60.1 | -41.2 | 0 | 0 | 0 | 110.9 | F203 Q204 D1568 L1602 | F203-N253 CarbonylContact O-C 3.53Å; F203-N253 WeakPolarHBondContact O-CA 3.4Å; Q204-N253 VanDerWaalsContact CB-OD1 3.31Å; Q204-N253 WeakPolarHBondContact CB-OD1 3.47Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.42Å; Q204-N253 PolarHBondContact NE2-OD1 3.1Å; N253-D1568 WeakPolarHBondContact ND2-CB 3.41Å; N253-D1568 PolarHBondContact ND2-O 2.79Å; N253-L1602 HydrophobicContact CB-CD1 4.07Å |
| 254 | F | 79.7 | Confident | 80.4 | Confident | 17 Ų | 17 | 36 Ų | 36 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 137 | -175.9 | -57.7 | -60.6 | 0 | 0 | 0 | 112.9 | D202 F203 I205 C228 W229 F252 | D202-F254 CarbonylContact C-O 3.54Å; D202-F254 WeakPolarHBondContact CA-O 3.4Å; F203-F254 PolarHBondContact N-O 3.01Å; F203-F254 PolarHBondContact O-N 2.85Å; I205-F254 HydrophobicContact CD1-CD2 3.77Å; I205-F254 HydrophobicContact CD1-CE2 3.79Å; C228-F254 HydrophobicContact CB-CE2 4.28Å; C228-F254 HydrophobicContact CB-CZ 4.3Å; C228-F254 VanDerWaalsContact SG-CE2 3.58Å; W229-F254 HydrophobicContact CB-CE1 4.25Å; W229-F254 HydrophobicContact CB-CE2 4.44Å; W229-F254 HydrophobicContact CB-CZ 3.93Å; W229-F254 HydrophobicContact CD2-CD1 4.45Å; W229-F254 HydrophobicContact CD2-CE1 4.35Å; W229-F254 HydrophobicContact CE3-CB 4.34Å; W229-F254 AromaticContact CE3-CD1 3.22Å; W229-F254 HydrophobicContact CE3-CD1 3.22Å; W229-F254 HydrophobicContact CE3-CD2 4.31Å; W229-F254 AromaticContact CE3-CE1 3.45Å; W229-F254 HydrophobicContact CE3-CE1 3.45Å; W229-F254 VanDerWaalsContact CE3-CE1 3.45Å; W229-F254 HydrophobicContact CE3-CE2 4.49Å; W229-F254 AromaticContact CE3-CG 3.69Å; W229-F254 HydrophobicContact CE3-CG 3.69Å; W229-F254 HydrophobicContact CE3-CZ 4.09Å; W229-F254 HydrophobicContact CZ3-CB 4.08Å; W229-F254 AromaticContact CZ3-CD1 3.52Å; W229-F254 HydrophobicContact CZ3-CD1 3.52Å; W229-F254 HydrophobicContact CZ3-CE1 4.18Å; W229-F254 AromaticContact CZ3-CG 3.92Å; W229-F254 HydrophobicContact CZ3-CG 3.92Å; F252-F254 HydrophobicContact CB-CE2 3.74Å; F252-F254 HydrophobicContact CB-CZ 3.95Å |
| 255 | F | 74.8 | Confident | 80.5 | Confident | 95 Ų | 95 | 39.2 Ų | 39.2 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 101.6 | 169.9 | -178.8 | -124.1 | 0 | 0 | 0 | 111 | K200 Q201 D202 L1577 | K200-F255 HydrophobicContact CB-CE1 4.27Å; K200-F255 HydrophobicContact CB-CE2 4.24Å; K200-F255 HydrophobicContact CB-CZ 4.01Å; Q201-F255 VanDerWaalsContact C-CD2 3.48Å; Q201-F255 WeakPolarHBondContact O-CD2 3.45Å; D202-F255 HydrophobicContact CB-CD2 4.39Å; D202-F255 VanDerWaalsContact CG-CD2 3.46Å; D202-F255 WeakPolarHBondContact OD1-CB 3.32Å; D202-F255 WeakPolarHBondContact OD2-CD2 3.4Å; D202-F255 WeakPolarHBondContact OD2-CE2 3.16Å; F255-L1577 HydrophobicContact CE2-CD1 4.46Å |
| 256 | D | 75.8 | Confident | 80.7 | Confident | 19 Ų | 19 | 34.7 Ų | 34.7 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 172.8 | 176.9 | -141 | -29.4 | 0 | 0 | 0 | 113 | K200 Q201 M261 | K200-D256 WeakPolarHBondContact CA-O 3.48Å; K200-D256 IonicContact NZ-OD1 2.73Å; K200-D256 PolarHBondContact NZ-OD1 2.83Å; K200-D256 IonicContact NZ-OD2 2.88Å; Q201-D256 PolarHBondContact N-O 3.25Å; Q201-D256 PolarHBondContact O-N 2.81Å; D256-M261 HydrophobicContact CB-CB 4.28Å |
| 257 | S | 78.9 | Confident | 81.1 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 142.8 | 174.1 | 68.2 | 0 | 0 | 0 | 0 | 109.4 | T198 K199 A259 E260 M261 | T198-S257 VanDerWaalsContact C-CB 3.49Å; T198-S257 VanDerWaalsContact O-CB 3.28Å; T198-S257 WeakPolarHBondContact O-CB 3.35Å; K199-S257 WeakPolarHBondContact O-CA 3.49Å; S257-A259 PolarHBondContact O-N 3.38Å; S257-A259 VanDerWaalsContact O-N 3.12Å; S257-E260 PolarHBondContact O-N 3.02Å; S257-E260 WeakPolarHBondContact OG-CB 3.24Å; S257-E260 WeakPolarHBondContact OG-CG 3.22Å; S257-E260 PolarHBondContact OG-N 3.23Å; S257-E260 VanDerWaalsContact OG-N 3.08Å; S257-M261 WeakPolarHBondContact O-CB 3.36Å; S257-M261 PolarHBondContact O-N 2.85Å |
| 258 | A | 75.8 | Confident | 81.6 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -52.4 | -36.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | S197 F203 E260 L262 | S197-A258 PolarHBondContact O-N 3.21Å; F203-A258 HydrophobicContact CE2-CB 4.44Å; F203-A258 HydrophobicContact CZ-CB 3.93Å; A258-E260 PolarHBondContact O-N 3.24Å; A258-L262 HydrophobicContact CB-CD1 4Å; A258-L262 WeakPolarHBondContact O-CB 3.42Å; A258-L262 WeakPolarHBondContact O-CD1 3.5Å; A258-L262 WeakPolarHBondContact O-CG 3.47Å; A258-L262 PolarHBondContact O-N 3.13Å |
| 259 | A | 77.1 | Confident | 82.2 | Confident | 28 Ų | 28 | 31.2 Ų | 31.2 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S197 T198 S257 | S197-A259 PolarHBondContact O-N 3.34Å; T198-A259 HydrophobicContact CG2-CB 4.21Å; S257-A259 PolarHBondContact O-N 3.38Å; S257-A259 VanDerWaalsContact O-N 3.12Å |
| 260 | E | 79.3 | Confident | 82.6 | Confident | 98 Ų | 98 | 28.8 Ų | 28.8 | 46% | 0.458 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -85.7 | -37.6 | -179.6 | -73.2 | -176.4 | 145.1 | 0 | 0 | 113 | K200 S257 A258 Q264 | K200-E260 IonicContact NZ-OE2 3.38Å; K200-E260 PolarHBondContact NZ-OE2 2.82Å; S257-E260 PolarHBondContact O-N 3.02Å; S257-E260 WeakPolarHBondContact OG-CB 3.24Å; S257-E260 WeakPolarHBondContact OG-CG 3.22Å; S257-E260 PolarHBondContact OG-N 3.23Å; S257-E260 VanDerWaalsContact OG-N 3.08Å; A258-E260 PolarHBondContact O-N 3.24Å; E260-Q264 PolarHBondContact O-NE2 3.27Å |
| 261 | M | 81.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72 | -45.7 | -179.1 | -176.7 | -80.6 | -87 | 0 | 0 | 111.8 | F203 I205 D256 S257 D263 Q264 L289 I327 | F203-M261 HydrophobicContact CB-CE 3.5Å; F203-M261 HydrophobicContact CD1-CE 3.33Å; F203-M261 HydrophobicContact CD2-CE 3.6Å; F203-M261 HydrophobicContact CD2-CG 4.47Å; F203-M261 HydrophobicContact CE1-CE 3.87Å; F203-M261 HydrophobicContact CE2-CE 4.11Å; F203-M261 HydrophobicContact CG-CE 3.18Å; F203-M261 HydrophobicContact CZ-CE 4.24Å; I205-M261 HydrophobicContact CD1-SD 4.49Å; D256-M261 HydrophobicContact CB-CB 4.28Å; S257-M261 WeakPolarHBondContact O-CB 3.36Å; S257-M261 PolarHBondContact O-N 2.85Å; M261-D263 PolarHBondContact O-N 3.45Å; M261-Q264 VanDerWaalsContact O-CB 3.28Å; M261-Q264 WeakPolarHBondContact O-CB 3.37Å; M261-Q264 PolarHBondContact O-N 2.91Å; M261-L289 HydrophobicContact CG-CD1 4.42Å; M261-L289 HydrophobicContact SD-CB 3.98Å; M261-L289 HydrophobicContact SD-CD1 3.59Å; M261-L289 VanDerWaalsContact SD-CD1 3.59Å; M261-L289 HydrophobicContact SD-CG 4.42Å; M261-I327 HydrophobicContact CE-CG2 3.91Å |
| 262 | L | 82.3 | Confident | 83 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -14.4 | -176.3 | -61.8 | 175.4 | 0 | 0 | 0 | 112.9 | Y196 A258 L289 S290 Y293 | Y196-L262 HydrophobicContact CD1-CD1 3.63Å; Y196-L262 HydrophobicContact CD2-CD1 4.25Å; Y196-L262 HydrophobicContact CE1-CD1 3.75Å; Y196-L262 HydrophobicContact CE2-CD1 4.34Å; Y196-L262 HydrophobicContact CG-CD1 3.92Å; A258-L262 HydrophobicContact CB-CD1 4Å; A258-L262 WeakPolarHBondContact O-CB 3.42Å; A258-L262 WeakPolarHBondContact O-CD1 3.5Å; A258-L262 WeakPolarHBondContact O-CG 3.47Å; A258-L262 PolarHBondContact O-N 3.13Å; L262-L289 HydrophobicContact CD2-CB 4.44Å; L262-S290 VanDerWaalsContact O-CB 3.3Å; L262-S290 WeakPolarHBondContact O-CB 3.47Å; L262-S290 PolarHBondContact O-N 2.9Å; L262-S290 PolarHBondContact O-OG 2.91Å; L262-Y293 HydrophobicContact CD1-CD1 3.68Å; L262-Y293 HydrophobicContact CD1-CE1 4.28Å; L262-Y293 HydrophobicContact CD1-CG 4.11Å; L262-Y293 HydrophobicContact CD2-CD1 4.11Å; L262-Y293 HydrophobicContact CD2-CD2 4.21Å; L262-Y293 HydrophobicContact CD2-CG 3.65Å |
| 263 | D | 79.9 | Confident | 82.8 | Confident | 89 Ų | 89 | 32.5 Ų | 32.5 | 48% | 0.476 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.9 | 169.5 | -85.4 | -4.1 | 0 | 0 | 0 | 112.7 | M261 | M261-D263 PolarHBondContact O-N 3.45Š|
| 264 | Q | 85.7 | Confident | 82.3 | Confident | 60 Ų | 60 | 36.4 Ų | 36.4 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -83.8 | 163 | 174.8 | -56.2 | -53.8 | -51.8 | 0 | 0 | 112.7 | W229 E260 M261 D288 L289 | W229-Q264 HydrophobicContact CD2-CG 4.2Å; W229-Q264 HydrophobicContact CG-CB 4.42Å; W229-Q264 HydrophobicContact CG-CG 4.09Å; W229-Q264 VanDerWaalsContact NE1-OE1 3.1Å; E260-Q264 PolarHBondContact O-NE2 3.27Å; M261-Q264 VanDerWaalsContact O-CB 3.28Å; M261-Q264 WeakPolarHBondContact O-CB 3.37Å; M261-Q264 PolarHBondContact O-N 2.91Å; Q264-D288 CarbonylContact O-C 3.59Å; Q264-D288 WeakPolarHBondContact O-CA 3.37Å; Q264-L289 HydrophobicContact CB-CD1 4.14Å; Q264-L289 PolarHBondContact O-N 3.39Å |
| 265 | Q | 85.7 | Confident | 81.7 | Confident | 70 Ų | 70 | 38.9 Ų | 38.9 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 142.2 | -173.7 | -55.1 | -161.8 | -43.4 | 0 | 0 | 113.3 | W229 V267 F287 D288 | W229-Q265 PolarHBondContact N-O 2.94Å; Q265-V267 HydrophobicContact CB-CG2 4.44Å; Q265-F287 WeakPolarHBondContact CA-O 3.44Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.41Å; Q265-D288 PolarHBondContact NE2-OD1 3.01Å |
| 266 | L | 89.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.8 | 164.3 | -171.3 | 67 | 0 | 0 | 0 | 108.8 | V207 I226 C228 F268 K286 F287 L289 V325 | V207-L266 HydrophobicContact CG2-CD1 4.14Å; V207-L266 HydrophobicContact CG2-CD2 3.86Å; I226-L266 HydrophobicContact CG2-CD1 4.04Å; C228-L266 HydrophobicContact CB-CD1 3.43Å; C228-L266 VanDerWaalsContact CB-CD1 3.43Å; C228-L266 VanDerWaalsContact SG-CD1 3.58Å; L266-F268 HydrophobicContact CD2-CE2 3.53Å; L266-F268 HydrophobicContact CD2-CZ 3.65Å; L266-F268 HydrophobicContact CG-CD2 4.45Å; L266-F268 HydrophobicContact CG-CE2 3.61Å; L266-F268 HydrophobicContact CG-CZ 4.02Å; L266-K286 VanDerWaalsContact O-CA 3.24Å; L266-K286 WeakPolarHBondContact O-CA 3.22Å; L266-F287 HydrophobicContact CB-CZ 4.39Å; L266-F287 HydrophobicContact CD2-CE1 4.41Å; L266-F287 HydrophobicContact CD2-CE2 4.45Å; L266-F287 HydrophobicContact CD2-CZ 3.86Å; L266-F287 PolarHBondContact N-O 2.74Å; L266-F287 PolarHBondContact O-N 2.81Å; L266-F287 VanDerWaalsContact O-N 3.16Å; L266-L289 HydrophobicContact CB-CD2 3.97Å; L266-V325 HydrophobicContact CD2-CG1 3.9Å; L266-V325 HydrophobicContact CD2-CG2 3.91Å |
| 267 | V | 91.1 | Very high | 80.1 | Confident | 33 Ų | 33 | 52 Ų | 52 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.9 | -172.6 | -172.6 | 0 | 0 | 0 | 0 | 110 | I226 T227 Q265 F285 K286 | I226-V267 CarbonylContact C-O 3.55Å; I226-V267 WeakPolarHBondContact CA-O 3.36Å; T227-V267 PolarHBondContact N-O 2.84Å; T227-V267 PolarHBondContact O-N 3.28Å; Q265-V267 HydrophobicContact CB-CG2 4.44Å; V267-F285 CarbonylContact C-O 3.58Å; V267-F285 WeakPolarHBondContact CA-O 3.27Å; V267-K286 HydrophobicContact CB-CB 4.29Å; V267-K286 HydrophobicContact CG1-CB 4.26Å; V267-K286 HydrophobicContact CG2-CB 3.84Å |
| 268 | F | 92.9 | Very high | 79 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.1 | 174.1 | -64.9 | -96.8 | 0 | 0 | 0 | 108.6 | V207 V209 K225 I226 L266 S284 F285 F287 L305 L321 I323 V325 | V207-F268 HydrophobicContact CG1-CE1 3.31Å; V207-F268 HydrophobicContact CG1-CZ 3.44Å; V207-F268 VanDerWaalsContact CG1-CZ 3.44Å; V209-F268 HydrophobicContact CG2-CE1 4.37Å; K225-F268 CarbonylContact O-C 3.6Å; K225-F268 WeakPolarHBondContact O-CA 3.4Å; I226-F268 HydrophobicContact CG1-CD1 3.91Å; I226-F268 HydrophobicContact CG1-CE1 3.92Å; I226-F268 HydrophobicContact CG2-CD1 4.29Å; I226-F268 HydrophobicContact CG2-CE1 3.96Å; I226-F268 HydrophobicContact CG2-CZ 4.27Å; L266-F268 HydrophobicContact CD2-CE2 3.53Å; L266-F268 HydrophobicContact CD2-CZ 3.65Å; L266-F268 HydrophobicContact CG-CD2 4.45Å; L266-F268 HydrophobicContact CG-CE2 3.61Å; L266-F268 HydrophobicContact CG-CZ 4.02Å; F268-S284 CarbonylContact O-C 3.57Å; F268-S284 WeakPolarHBondContact O-CA 3.48Å; F268-S284 PolarHBondContact O-OG 2.83Å; F268-S284 VanDerWaalsContact O-OG 3.05Å; F268-F285 PolarHBondContact N-O 2.92Å; F268-F285 PolarHBondContact O-N 3.02Å; F268-F287 HydrophobicContact CD2-CE1 4.28Å; F268-F287 AromaticContact CE2-CE1 3.75Å; F268-F287 HydrophobicContact CE2-CE1 3.75Å; F268-F287 HydrophobicContact CE2-CZ 4.25Å; F268-L305 HydrophobicContact CB-CD1 4.04Å; F268-L305 HydrophobicContact CD1-CD1 4.23Å; F268-L305 HydrophobicContact CD2-CD1 3.33Å; F268-L305 HydrophobicContact CE2-CD1 3.76Å; F268-L305 HydrophobicContact CG-CD1 3.6Å; F268-L305 HydrophobicContact CZ-CD1 4.36Å; F268-L321 HydrophobicContact CB-CD2 3.89Å; F268-L321 HydrophobicContact CD1-CD2 3.75Å; F268-L321 HydrophobicContact CG-CD2 4.1Å; F268-I323 HydrophobicContact CD1-CG2 4.16Å; F268-I323 HydrophobicContact CD2-CD1 4.45Å; F268-I323 HydrophobicContact CE1-CB 4.43Å; F268-I323 HydrophobicContact CE1-CD1 3.91Å; F268-I323 HydrophobicContact CE1-CG2 3.82Å; F268-I323 HydrophobicContact CE2-CD1 3.66Å; F268-I323 HydrophobicContact CZ-CD1 3.33Å; F268-I323 HydrophobicContact CZ-CG2 4.37Å; F268-V325 HydrophobicContact CZ-CG2 4.23Å |
| 269 | T | 91.2 | Very high | 78.1 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.08 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.8 | -178.4 | -50.5 | 0 | 0 | 0 | 0 | 109.9 | C224 K225 Y271 L281 G283 S284 | C224-T269 CarbonylContact C-O 3.52Å; K225-T269 PolarHBondContact N-O 3.31Å; K225-T269 PolarHBondContact O-N 3.03Å; T269-Y271 HydrophobicContact CG2-CD2 4.35Å; T269-Y271 HydrophobicContact CG2-CE1 4.01Å; T269-Y271 HydrophobicContact CG2-CE2 3.63Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.43Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.35Å; T269-L281 HydrophobicContact CG2-CD1 3.2Å; T269-G283 CarbonylContact C-O 3.59Å; T269-G283 WeakPolarHBondContact CA-O 3.38Å; T269-S284 PolarHBondContact OG1-OG 3.38Å |
| 270 | V | 90.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.2 | 180 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | L215 P222 I223 C224 I282 G283 L307 L321 | L215-V270 HydrophobicContact CD1-CG1 3.92Å; L215-V270 HydrophobicContact CD2-CG1 4.12Å; P222-V270 HydrophobicContact CB-CG1 4.1Å; I223-V270 CarbonylContact O-C 3.54Å; I223-V270 WeakPolarHBondContact O-CA 3.18Å; C224-V270 HydrophobicContact CB-CG2 4.32Å; V270-I282 HydrophobicContact CG1-CD1 4.2Å; V270-I282 WeakPolarHBondContact O-CB 3.37Å; V270-I282 PolarHBondContact O-N 2.87Å; V270-G283 PolarHBondContact N-O 3.1Å; V270-G283 PolarHBondContact O-N 3.46Å; V270-L307 HydrophobicContact CB-CD1 4.23Å; V270-L307 HydrophobicContact CG2-CD1 3.64Å; V270-L307 HydrophobicContact CG2-CD2 4.4Å; V270-L321 HydrophobicContact CG2-CD1 4.48Å |
| 271 | Y | 87.8 | Confident | 78.4 | Confident | 71 Ų | 71 | 65 Ų | 65 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 152.2 | 179.4 | -58.2 | -85.1 | 0 | 0 | 0 | 111.6 | P222 I223 K225 T269 S280 L281 | P222-Y271 CarbonylContact C-O 3.53Å; P222-Y271 VanDerWaalsContact CA-O 3.26Å; P222-Y271 WeakPolarHBondContact CA-O 3.47Å; I223-Y271 PolarHBondContact N-O 3.47Å; I223-Y271 PolarHBondContact O-N 3.43Å; K225-Y271 HydrophobicContact CB-CD2 4.3Å; K225-Y271 HydrophobicContact CB-CE2 3.82Å; K225-Y271 HydrophobicContact CD-CE2 4Å; K225-Y271 HydrophobicContact CG-CE2 4.49Å; T269-Y271 HydrophobicContact CG2-CD2 4.35Å; T269-Y271 HydrophobicContact CG2-CE1 4.01Å; T269-Y271 HydrophobicContact CG2-CE2 3.63Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.43Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.35Å; Y271-S280 CarbonylContact C-O 3.5Å; Y271-S280 WeakPolarHBondContact CA-O 3.45Å; Y271-S280 WeakPolarHBondContact CD1-OG 3.49Å; Y271-L281 HydrophobicContact CD1-CB 4.23Å; Y271-L281 HydrophobicContact CD1-CD1 4.33Å; Y271-L281 HydrophobicContact CE1-CB 4.18Å; Y271-L281 HydrophobicContact CE1-CD1 3.99Å |
| 272 | D | 82.2 | Confident | 78.4 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.5 | 162.2 | -178 | 5.6 | 0 | 0 | 0 | 109.2 | I220 S221 R274 R275 S280 I282 | I220-D272 HydrophobicContact CB-CB 4.24Å; I220-D272 HydrophobicContact CG2-CB 4.16Å; S221-D272 PolarHBondContact N-OD1 2.96Å; D272-R274 PolarHBondContact O-N 2.75Å; D272-R274 VanDerWaalsContact O-N 3.16Å; D272-R274 WeakPolarHBondContact OD1-CB 3.23Å; D272-R274 PolarHBondContact OD1-N 3.39Å; D272-R274 IonicContact OD1-NE 2.65Å; D272-R274 IonicContact OD2-NE 3.5Å; D272-R274 IonicContact OD2-NH2 3.24Å; D272-R275 PolarHBondContact O-N 3.27Å; D272-S280 PolarHBondContact N-O 3.49Å; D272-I282 HydrophobicContact CB-CD1 4.16Å; D272-I282 HydrophobicContact CB-CG1 4.39Å |
| 273 | S | 77.3 | Confident | 78.6 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.5 | -178.4 | 75.7 | 0 | 0 | 0 | 0 | 113.7 | S221 V237 | S221-S273 VanDerWaalsContact CB-OG 3.31Å; S221-S273 WeakPolarHBondContact CB-OG 3.14Å; S221-S273 WeakPolarHBondContact O-CB 3.24Å; S221-S273 PolarHBondContact O-N 2.9Å; S221-S273 PolarHBondContact O-OG 3.49Å; V237-S273 WeakPolarHBondContact CG1-OG 3.4Å |
| 274 | R | 68.9 | Low | 78.9 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -19.8 | 177 | -58.9 | -176.3 | -54.4 | 157.4 | 9.5 | 113 | A218 N219 S221 D272 | A218-R274 PolarHBondContact O-NH2 3.03Å; N219-R274 VanDerWaalsContact C-CZ 3.4Å; N219-R274 PolarHBondContact ND2-NH1 3.01Å; N219-R274 PolarHBondContact O-NE 3.11Å; N219-R274 VanDerWaalsContact O-NE 3.11Å; N219-R274 PolarHBondContact O-NH1 3.29Å; N219-R274 PolarHBondContact O-NH2 3.49Å; N219-R274 PolarHBondContact OD1-NH1 2.64Å; S221-R274 WeakPolarHBondContact OG-CD 3.37Å; S221-R274 WeakPolarHBondContact OG-CG 3.02Å; D272-R274 PolarHBondContact O-N 2.75Å; D272-R274 VanDerWaalsContact O-N 3.16Å; D272-R274 WeakPolarHBondContact OD1-CB 3.23Å; D272-R274 PolarHBondContact OD1-N 3.39Å; D272-R274 IonicContact OD1-NE 2.65Å; D272-R274 IonicContact OD2-NE 3.5Å; D272-R274 IonicContact OD2-NH2 3.24Å |
| 275 | R | 67.3 | Low | 79.1 | Confident | 69 Ų | 69 | 59.1 Ų | 59.1 | 26% | 0.26 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -98.4 | 150.7 | -178.4 | -69.5 | -174.8 | 178.2 | 172.3 | 2.4 | 111.1 | D272 D279 D474 N476 | D272-R275 PolarHBondContact O-N 3.27Å; R275-D279 WeakPolarHBondContact CD-O 3.31Å; R275-D474 IonicContact NH2-OD2 3.58Å; R275-D474 PolarHBondContact NH2-OD2 3.37Å; R275-D474 VanDerWaalsContact NH2-OD2 3.1Å; R275-N476 PolarHBondContact NH1-ND2 3.1Å |
| 276 | L | 57.9 | Low | 79.2 | Confident | 156 Ų | 156 | 61.4 Ų | 61.4 | 82% | 0.817 | 28% | 0.277 | S | S | * | . | trans | -90.8 | 126.9 | -178.8 | -77 | 160.6 | 0 | 0 | 0 | 112.1 | R278 D279 | L276-R278 PolarHBondContact O-N 2.97Å; L276-D279 PolarHBondContact O-N 3.43Å | ||
| 277 | R | 60.1 | Low | 79.1 | Confident | 233 Ų | 233 | 62 Ų | 62 | 88% | 0.879 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | 35.3 | -79.6 | 172.5 | -71.2 | -170.3 | -176.2 | 174.8 | 2.9 | 117 | S280 | R277-S280 PolarHBondContact O-OG 2.85Š|
| 278 | R | 54.9 | Low | 78.8 | Confident | 234 Ų | 234 | 63.1 Ų | 63.1 | 88% | 0.883 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -72.9 | -35.9 | -170.5 | -73 | -172.5 | -179.1 | 173.3 | 0.2 | 113.1 | L276 S280 | L276-R278 PolarHBondContact O-N 2.97Å; R278-S280 VanDerWaalsContact C-N 3.33Å |
| 279 | D | 57.7 | Low | 78.4 | Confident | 102 Ų | 102 | 63.2 Ų | 63.2 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -95.8 | 6.2 | -173.6 | -51.5 | -29.4 | 0 | 0 | 0 | 112.6 | R275 L276 | R275-D279 WeakPolarHBondContact CD-O 3.31Å; L276-D279 PolarHBondContact O-N 3.43Å |
| 280 | S | 78.5 | Confident | 78 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -84.4 | -21.5 | -176.8 | 67.9 | 0 | 0 | 0 | 0 | 113.7 | Y271 D272 R277 R278 I282 | Y271-S280 CarbonylContact C-O 3.5Å; Y271-S280 WeakPolarHBondContact CA-O 3.45Å; Y271-S280 WeakPolarHBondContact CD1-OG 3.49Å; D272-S280 PolarHBondContact N-O 3.49Å; R277-S280 PolarHBondContact O-OG 2.85Å; R278-S280 VanDerWaalsContact C-N 3.33Å; S280-I282 PolarHBondContact O-N 2.87Å |
| 281 | L | 83.6 | Confident | 77.6 | Confident | 59 Ų | 59 | 66.9 Ų | 66.9 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 122.9 | -176 | 176.4 | 63.6 | 0 | 0 | 0 | 111 | T269 Y271 P310 | T269-L281 HydrophobicContact CG2-CD1 3.2Å; Y271-L281 HydrophobicContact CD1-CB 4.23Å; Y271-L281 HydrophobicContact CD1-CD1 4.33Å; Y271-L281 HydrophobicContact CE1-CB 4.18Å; Y271-L281 HydrophobicContact CE1-CD1 3.99Å; L281-P310 HydrophobicContact CD2-CG 4.1Å |
| 282 | I | 81.3 | Confident | 77.4 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -54.1 | 173.2 | -58.9 | 177.7 | 0 | 0 | 0 | 109.5 | L215 Q216 I220 V270 D272 S280 K318 | L215-I282 HydrophobicContact CB-CG2 4.28Å; L215-I282 HydrophobicContact CD2-CG2 4.37Å; Q216-I282 HydrophobicContact CB-CG2 4.32Å; I220-I282 HydrophobicContact CB-CD1 4.41Å; I220-I282 HydrophobicContact CD1-CD1 3.49Å; I220-I282 VanDerWaalsContact CD1-CD1 3.49Å; I220-I282 HydrophobicContact CG2-CD1 4.44Å; V270-I282 HydrophobicContact CG1-CD1 4.2Å; V270-I282 WeakPolarHBondContact O-CB 3.37Å; V270-I282 PolarHBondContact O-N 2.87Å; D272-I282 HydrophobicContact CB-CD1 4.16Å; D272-I282 HydrophobicContact CB-CG1 4.39Å; S280-I282 PolarHBondContact O-N 2.87Å; I282-K318 WeakPolarHBondContact O-CB 3.45Å; I282-K318 WeakPolarHBondContact O-CG 3.33Å |
| 283 | G | 85.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 161.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T269 V270 | T269-G283 CarbonylContact C-O 3.59Å; T269-G283 WeakPolarHBondContact CA-O 3.38Å; V270-G283 PolarHBondContact N-O 3.1Å; V270-G283 PolarHBondContact O-N 3.46Å |
| 284 | S | 87.9 | Confident | 77.6 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.5 | -177.5 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | F268 T269 C308 | F268-S284 CarbonylContact O-C 3.57Å; F268-S284 WeakPolarHBondContact O-CA 3.48Å; F268-S284 PolarHBondContact O-OG 2.83Å; F268-S284 VanDerWaalsContact O-OG 3.05Å; T269-S284 PolarHBondContact OG1-OG 3.38Å; S284-C308 PolarHBondContact N-O 3.22Å; S284-C308 PolarHBondContact O-N 2.81Å; S284-C308 PolarHBondContact O-SG 2.68Å |
| 285 | F | 89.9 | Confident | 78.1 | Confident | 5 Ų | 5 | 66 Ų | 66 | 2% | 0.022 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.7 | 171 | -173.4 | -91.4 | 0 | 0 | 0 | 109.4 | V267 F268 F287 L305 L306 L307 L353 P355 | V267-F285 CarbonylContact C-O 3.58Å; V267-F285 WeakPolarHBondContact CA-O 3.27Å; F268-F285 PolarHBondContact N-O 2.92Å; F268-F285 PolarHBondContact O-N 3.02Å; F285-F287 AromaticContact CD1-CD1 3.62Å; F285-F287 HydrophobicContact CD1-CD1 3.62Å; F285-F287 HydrophobicContact CD1-CE1 4.16Å; F285-F287 HydrophobicContact CE1-CB 4.13Å; F285-F287 AromaticContact CE1-CD1 3.34Å; F285-F287 HydrophobicContact CE1-CD1 3.34Å; F285-F287 HydrophobicContact CE1-CE1 4.05Å; F285-F287 HydrophobicContact CE1-CG 4.1Å; F285-L305 HydrophobicContact CB-CB 4.09Å; F285-L305 HydrophobicContact CB-CD1 4.13Å; F285-L305 HydrophobicContact CD1-CB 4.01Å; F285-L305 HydrophobicContact CD1-CD1 3.72Å; F285-L305 HydrophobicContact CD1-CD2 3.74Å; F285-L305 HydrophobicContact CD1-CG 4.03Å; F285-L305 HydrophobicContact CD2-CB 4.23Å; F285-L305 HydrophobicContact CE1-CD1 4.49Å; F285-L305 HydrophobicContact CE1-CD2 3.66Å; F285-L305 HydrophobicContact CE1-CG 4.43Å; F285-L305 HydrophobicContact CG-CB 3.86Å; F285-L305 HydrophobicContact CG-CD1 4.14Å; F285-L305 HydrophobicContact CG-CD2 4.45Å; F285-L305 HydrophobicContact CG-CG 4.38Å; F285-L305 HydrophobicContact CZ-CD2 4.27Å; F285-L306 WeakPolarHBondContact CD2-O 3.43Å; F285-L307 HydrophobicContact CB-CD2 4.1Å; F285-L353 HydrophobicContact CE1-CB 4.2Å; F285-L353 VanDerWaalsContact CE2-O 3.27Å; F285-L353 WeakPolarHBondContact CE2-O 3.42Å; F285-L353 HydrophobicContact CZ-CB 3.74Å; F285-P355 HydrophobicContact CD2-CG 3.73Å; F285-P355 HydrophobicContact CE2-CB 4.38Å; F285-P355 VanDerWaalsContact CE2-CD 3.44Å; F285-P355 HydrophobicContact CE2-CG 3.65Å |
| 286 | K | 88 | Confident | 78.6 | Confident | 117 Ų | 117 | 68.5 Ų | 68.5 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.2 | 176.9 | 67.1 | -177.5 | -169.8 | 163.2 | 0 | 112.5 | L266 V267 | L266-K286 VanDerWaalsContact O-CA 3.24Å; L266-K286 WeakPolarHBondContact O-CA 3.22Å; V267-K286 HydrophobicContact CB-CB 4.29Å; V267-K286 HydrophobicContact CG1-CB 4.26Å; V267-K286 HydrophobicContact CG2-CB 3.84Å |
| 287 | F | 86.3 | Confident | 79.4 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.057 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 158.8 | 176.6 | 61.5 | -85.5 | 0 | 0 | 0 | 110.9 | Q265 L266 F268 F285 I291 V292 M300 L305 V325 | Q265-F287 WeakPolarHBondContact CA-O 3.44Å; L266-F287 HydrophobicContact CB-CZ 4.39Å; L266-F287 HydrophobicContact CD2-CE1 4.41Å; L266-F287 HydrophobicContact CD2-CE2 4.45Å; L266-F287 HydrophobicContact CD2-CZ 3.86Å; L266-F287 PolarHBondContact N-O 2.74Å; L266-F287 PolarHBondContact O-N 2.81Å; L266-F287 VanDerWaalsContact O-N 3.16Å; F268-F287 HydrophobicContact CD2-CE1 4.28Å; F268-F287 AromaticContact CE2-CE1 3.75Å; F268-F287 HydrophobicContact CE2-CE1 3.75Å; F268-F287 HydrophobicContact CE2-CZ 4.25Å; F285-F287 AromaticContact CD1-CD1 3.62Å; F285-F287 HydrophobicContact CD1-CD1 3.62Å; F285-F287 HydrophobicContact CD1-CE1 4.16Å; F285-F287 HydrophobicContact CE1-CB 4.13Å; F285-F287 AromaticContact CE1-CD1 3.34Å; F285-F287 HydrophobicContact CE1-CD1 3.34Å; F285-F287 HydrophobicContact CE1-CE1 4.05Å; F285-F287 HydrophobicContact CE1-CG 4.1Å; F287-I291 HydrophobicContact CB-CD1 4.04Å; F287-I291 HydrophobicContact CD2-CB 4.45Å; F287-V292 HydrophobicContact CD2-CG2 4.46Å; F287-V292 HydrophobicContact CE2-CG2 3.55Å; F287-V292 HydrophobicContact CZ-CG2 4.36Å; F287-M300 HydrophobicContact CD2-CE 4.27Å; F287-M300 HydrophobicContact CE2-CE 3.63Å; F287-M300 HydrophobicContact CZ-CE 4.08Å; F287-L305 HydrophobicContact CE1-CD2 4.26Å; F287-V325 HydrophobicContact CZ-CG2 4.29Å |
| 288 | D | 85.4 | Confident | 80.6 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 141 | -179.3 | -57.9 | -19.2 | 0 | 0 | 0 | 110.4 | Q264 Q265 S290 I291 | Q264-D288 CarbonylContact O-C 3.59Å; Q264-D288 WeakPolarHBondContact O-CA 3.37Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.41Å; Q265-D288 PolarHBondContact NE2-OD1 3.01Å; D288-S290 WeakPolarHBondContact CB-OG 3.25Å; D288-S290 PolarHBondContact O-N 2.85Å; D288-I291 WeakPolarHBondContact O-CB 3.48Å; D288-I291 PolarHBondContact O-N 2.69Å; D288-I291 VanDerWaalsContact O-N 3.08Å |
| 289 | L | 85 | Confident | 82 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.9 | -176.1 | -71.8 | 170.7 | 0 | 0 | 0 | 113.3 | I205 M261 L262 Q264 L266 I291 V292 Y293 I327 | I205-L289 HydrophobicContact CD1-CD1 3.49Å; I205-L289 VanDerWaalsContact CD1-CD1 3.49Å; I205-L289 HydrophobicContact CD1-CD2 3.7Å; I205-L289 HydrophobicContact CD1-CG 4.24Å; I205-L289 HydrophobicContact CG1-CD2 4.42Å; I205-L289 HydrophobicContact CG2-CD2 4.28Å; M261-L289 HydrophobicContact CG-CD1 4.42Å; M261-L289 HydrophobicContact SD-CB 3.98Å; M261-L289 HydrophobicContact SD-CD1 3.59Å; M261-L289 VanDerWaalsContact SD-CD1 3.59Å; M261-L289 HydrophobicContact SD-CG 4.42Å; L262-L289 HydrophobicContact CD2-CB 4.44Å; Q264-L289 HydrophobicContact CB-CD1 4.14Å; Q264-L289 PolarHBondContact O-N 3.39Å; L266-L289 HydrophobicContact CB-CD2 3.97Å; L289-I291 PolarHBondContact O-N 3.36Å; L289-I291 VanDerWaalsContact O-N 3.12Å; L289-V292 PolarHBondContact O-N 3.16Å; L289-Y293 PolarHBondContact O-N 2.77Å; L289-I327 HydrophobicContact CB-CD1 3.86Å; L289-I327 HydrophobicContact CD2-CD1 3.83Å; L289-I327 HydrophobicContact CG-CD1 4.41Å; L289-I327 VanDerWaalsContact O-CD1 3.28Å; L289-I327 WeakPolarHBondContact O-CD1 3.42Å |
| 290 | S | 82.4 | Confident | 83.2 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -44.4 | -40 | 168.6 | 40.1 | 0 | 0 | 0 | 0 | 113.1 | L262 D288 V292 Y293 E294 | L262-S290 VanDerWaalsContact O-CB 3.3Å; L262-S290 WeakPolarHBondContact O-CB 3.47Å; L262-S290 PolarHBondContact O-N 2.9Å; L262-S290 PolarHBondContact O-OG 2.91Å; D288-S290 WeakPolarHBondContact CB-OG 3.25Å; D288-S290 PolarHBondContact O-N 2.85Å; S290-V292 VanDerWaalsContact C-N 3.33Å; S290-V292 PolarHBondContact O-N 3.05Å; S290-Y293 PolarHBondContact O-N 2.91Å; S290-E294 WeakPolarHBondContact O-CB 3.08Å; S290-E294 VanDerWaalsContact O-CG 3.31Å; S290-E294 WeakPolarHBondContact O-CG 3.2Å; S290-E294 PolarHBondContact O-N 3.48Å |
| 291 | I | 82.5 | Confident | 83.4 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -38.1 | -177.6 | -63.5 | 164.1 | 0 | 0 | 0 | 111.6 | F287 D288 L289 C295 M300 | F287-I291 HydrophobicContact CB-CD1 4.04Å; F287-I291 HydrophobicContact CD2-CB 4.45Å; D288-I291 WeakPolarHBondContact O-CB 3.48Å; D288-I291 PolarHBondContact O-N 2.69Å; D288-I291 VanDerWaalsContact O-N 3.08Å; L289-I291 PolarHBondContact O-N 3.36Å; L289-I291 VanDerWaalsContact O-N 3.12Å; I291-C295 PolarHBondContact O-SG 3.1Å; I291-M300 HydrophobicContact CG2-CE 3.96Å; I291-M300 HydrophobicContact CG2-SD 4.43Å |
| 292 | V | 82.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.3 | -42.1 | 176.2 | -160.1 | 0 | 0 | 0 | 0 | 110.2 | F287 L289 S290 E294 C295 H298 M300 V325 I327 | F287-V292 HydrophobicContact CD2-CG2 4.46Å; F287-V292 HydrophobicContact CE2-CG2 3.55Å; F287-V292 HydrophobicContact CZ-CG2 4.36Å; L289-V292 PolarHBondContact O-N 3.16Å; S290-V292 VanDerWaalsContact C-N 3.33Å; S290-V292 PolarHBondContact O-N 3.05Å; V292-E294 VanDerWaalsContact C-N 3.27Å; V292-E294 PolarHBondContact O-N 2.79Å; V292-C295 WeakPolarHBondContact O-CB 3.22Å; V292-C295 PolarHBondContact O-N 2.99Å; V292-C295 VanDerWaalsContact O-N 3.1Å; V292-H298 WeakPolarHBondContact CG1-O 3.47Å; V292-H298 CarbonylContact O-C 3.5Å; V292-H298 WeakPolarHBondContact O-CA 3.16Å; V292-M300 HydrophobicContact CB-CE 3.89Å; V292-M300 HydrophobicContact CG1-CB 4.34Å; V292-M300 HydrophobicContact CG1-CE 4.14Å; V292-M300 HydrophobicContact CG1-CG 4.19Å; V292-M300 HydrophobicContact CG2-CE 3.45Å; V292-M300 VanDerWaalsContact CG2-CE 3.45Å; V292-V325 HydrophobicContact CG1-CB 4.15Å; V292-V325 HydrophobicContact CG1-CG1 4Å; V292-V325 HydrophobicContact CG2-CB 4.38Å; V292-V325 HydrophobicContact CG2-CG1 3.9Å; V292-I327 HydrophobicContact CB-CD1 3.6Å; V292-I327 HydrophobicContact CB-CG1 3.73Å; V292-I327 HydrophobicContact CG1-CD1 4.32Å; V292-I327 HydrophobicContact CG1-CG1 3.87Å; V292-I327 HydrophobicContact CG2-CD1 3.87Å; V292-I327 HydrophobicContact CG2-CG1 4.17Å |
| 293 | Y | 81.3 | Confident | 83.4 | Confident | 45 Ų | 45 | 48 Ų | 48 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -27 | -176 | -159.4 | -103.1 | 0 | 0 | 0 | 112.2 | F203 L262 L289 S290 C295 H298 I327 | F203-Y293 HydrophobicContact CD1-CE2 4.2Å; F203-Y293 AromaticContact CE1-CE2 3.74Å; F203-Y293 HydrophobicContact CE1-CE2 3.74Å; F203-Y293 AromaticContact CE1-CZ 3.93Å; L262-Y293 HydrophobicContact CD1-CD1 3.68Å; L262-Y293 HydrophobicContact CD1-CE1 4.28Å; L262-Y293 HydrophobicContact CD1-CG 4.11Å; L262-Y293 HydrophobicContact CD2-CD1 4.11Å; L262-Y293 HydrophobicContact CD2-CD2 4.21Å; L262-Y293 HydrophobicContact CD2-CG 3.65Å; L289-Y293 PolarHBondContact O-N 2.77Å; S290-Y293 PolarHBondContact O-N 2.91Å; Y293-C295 VanDerWaalsContact C-N 3.32Å; Y293-H298 AromaticContact CD1-ND1 3.96Å; Y293-H298 HydrophobicContact CD2-CB 4.1Å; Y293-H298 AromaticContact CD2-CG 3.85Å; Y293-H298 AromaticContact CD2-ND1 3.55Å; Y293-H298 AromaticContact CE1-CE1 3.9Å; Y293-H298 HydrophobicContact CE2-CB 4.41Å; Y293-H298 AromaticContact CE2-CE1 3.93Å; Y293-H298 AromaticContact CE2-CG 3.84Å; Y293-H298 AromaticContact CE2-ND1 3.65Å; Y293-H298 AromaticContact CG-ND1 3.71Å; Y293-H298 AromaticContact CZ-CE1 3.75Å; Y293-H298 AromaticContact CZ-ND1 3.9Å; Y293-H298 PolarHBondContact O-CE1 2.66Å; Y293-H298 PolarHBondContact O-ND1 2.8Å; Y293-I327 HydrophobicContact CD2-CB 4.06Å; Y293-I327 HydrophobicContact CD2-CG2 3.7Å; Y293-I327 HydrophobicContact CE2-CG2 4.25Å |
| 294 | E | 81.8 | Confident | 83.4 | Confident | 122 Ų | 122 | 48.1 Ų | 48.1 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -11.1 | 173.5 | -70.6 | 173.9 | -161.5 | 0 | 0 | 113.6 | Y196 S290 V292 | Y196-E294 WeakPolarHBondContact OH-CG 3.48Å; Y196-E294 PolarHBondContact OH-OE1 3.21Å; S290-E294 WeakPolarHBondContact O-CB 3.08Å; S290-E294 VanDerWaalsContact O-CG 3.31Å; S290-E294 WeakPolarHBondContact O-CG 3.2Å; S290-E294 PolarHBondContact O-N 3.48Å; V292-E294 VanDerWaalsContact C-N 3.27Å; V292-E294 PolarHBondContact O-N 2.79Å |
| 295 | C | 80.5 | Confident | 83.4 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 30% | 0.297 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -76.7 | 158.7 | 176.3 | -68 | 0 | 0 | 0 | 0 | 112.2 | I291 V292 Y293 R297 H298 M300 | I291-C295 PolarHBondContact O-SG 3.1Å; V292-C295 WeakPolarHBondContact O-CB 3.22Å; V292-C295 PolarHBondContact O-N 2.99Å; V292-C295 VanDerWaalsContact O-N 3.1Å; Y293-C295 VanDerWaalsContact C-N 3.32Å; C295-R297 PolarHBondContact O-N 2.97Å; C295-H298 WeakPolarHBondContact O-CA 3.32Å; C295-H298 PolarHBondContact O-N 2.92Å; C295-M300 HydrophobicContact CB-CG 4.23Å; C295-M300 VanDerWaalsContact SG-CG 3.58Å |
| 296 | D | 76.1 | Confident | 83.2 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 65% | 0.652 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -53.6 | 131 | 174.8 | -85.8 | -10.2 | 0 | 0 | 0 | 111.6 | H298 A299 | D296-H298 PolarHBondContact O-N 2.74Å; D296-H298 VanDerWaalsContact O-N 3.17Å; D296-A299 PolarHBondContact O-N 2.78Å |
| 297 | R | 75.4 | Confident | 83.1 | Confident | 181 Ų | 181 | 42 Ų | 42 | 68% | 0.683 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | 55 | 25 | -174.8 | -53 | -175.8 | 178.1 | -161.4 | -4 | 114.1 | C295 A299 | C295-R297 PolarHBondContact O-N 2.97Å; R297-A299 PolarHBondContact O-N 3.1Å; R297-A299 VanDerWaalsContact O-N 3.12Å |
| 298 | H | 84.4 | Confident | 82.8 | Confident | 43 Ų | 43 | 42 Ų | 42 | 20% | 0.199 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | 54.9 | 32 | -178.6 | -50.7 | -61.1 | 0 | 0 | 0 | 112.6 | V292 Y293 C295 D296 I327 D332 | V292-H298 WeakPolarHBondContact CG1-O 3.47Å; V292-H298 CarbonylContact O-C 3.5Å; V292-H298 WeakPolarHBondContact O-CA 3.16Å; Y293-H298 AromaticContact CD1-ND1 3.96Å; Y293-H298 HydrophobicContact CD2-CB 4.1Å; Y293-H298 AromaticContact CD2-CG 3.85Å; Y293-H298 AromaticContact CD2-ND1 3.55Å; Y293-H298 AromaticContact CE1-CE1 3.9Å; Y293-H298 HydrophobicContact CE2-CB 4.41Å; Y293-H298 AromaticContact CE2-CE1 3.93Å; Y293-H298 AromaticContact CE2-CG 3.84Å; Y293-H298 AromaticContact CE2-ND1 3.65Å; Y293-H298 AromaticContact CG-ND1 3.71Å; Y293-H298 AromaticContact CZ-CE1 3.75Å; Y293-H298 AromaticContact CZ-ND1 3.9Å; Y293-H298 PolarHBondContact O-CE1 2.66Å; Y293-H298 PolarHBondContact O-ND1 2.8Å; C295-H298 WeakPolarHBondContact O-CA 3.32Å; C295-H298 PolarHBondContact O-N 2.92Å; D296-H298 PolarHBondContact O-N 2.74Å; D296-H298 VanDerWaalsContact O-N 3.17Å; H298-I327 WeakPolarHBondContact CB-O 3.49Å; H298-I327 PolarHBondContact O-N 2.97Å; H298-D332 IonicContact CD2-OD1 2.83Å; H298-D332 PolarHBondContact CD2-OD1 3.44Å; H298-D332 IonicContact CD2-OD2 2.65Å; H298-D332 PolarHBondContact CD2-OD2 3.3Å; H298-D332 IonicContact CG-OD2 2.85Å; H298-D332 IonicContact NE2-OD1 3.55Å; H298-D332 PolarHBondContact NE2-OD1 3.02Å; H298-D332 IonicContact NE2-OD2 3.55Å |
| 299 | A | 84.3 | Confident | 82.6 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 136.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | D296 R297 L301 V325 V326 P335 | D296-A299 PolarHBondContact O-N 2.78Å; R297-A299 PolarHBondContact O-N 3.1Å; R297-A299 VanDerWaalsContact O-N 3.12Å; A299-L301 HydrophobicContact CB-CG 4.46Å; A299-V325 CarbonylContact C-O 3.58Å; A299-V325 WeakPolarHBondContact CA-O 3.45Å; A299-V326 HydrophobicContact CB-CB 4.43Å; A299-V326 HydrophobicContact CB-CG1 4.22Å; A299-V326 HydrophobicContact CB-CG2 3.96Å; A299-P335 HydrophobicContact CB-CG 3.67Å |
| 300 | M | 84.5 | Confident | 82 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 97.4 | 170.3 | -78 | -157.7 | -82.8 | 0 | 0 | 108.9 | F287 I291 V292 C295 K303 S324 V325 L353 | F287-M300 HydrophobicContact CD2-CE 4.27Å; F287-M300 HydrophobicContact CE2-CE 3.63Å; F287-M300 HydrophobicContact CZ-CE 4.08Å; I291-M300 HydrophobicContact CG2-CE 3.96Å; I291-M300 HydrophobicContact CG2-SD 4.43Å; V292-M300 HydrophobicContact CB-CE 3.89Å; V292-M300 HydrophobicContact CG1-CB 4.34Å; V292-M300 HydrophobicContact CG1-CE 4.14Å; V292-M300 HydrophobicContact CG1-CG 4.19Å; V292-M300 HydrophobicContact CG2-CE 3.45Å; V292-M300 VanDerWaalsContact CG2-CE 3.45Å; C295-M300 HydrophobicContact CB-CG 4.23Å; C295-M300 VanDerWaalsContact SG-CG 3.58Å; M300-K303 HydrophobicContact CB-CG 3.85Å; M300-K303 HydrophobicContact CG-CG 4.37Å; M300-K303 HydrophobicContact SD-CG 4.41Å; M300-S324 CarbonylContact O-C 3.55Å; M300-S324 WeakPolarHBondContact O-CA 3.44Å; M300-V325 PolarHBondContact N-O 3.48Å; M300-V325 PolarHBondContact O-N 3Å; M300-L353 HydrophobicContact CE-CD1 4.01Å; M300-L353 HydrophobicContact SD-CD1 3.63Å; M300-L353 HydrophobicContact SD-CD2 4.26Å |
| 301 | L | 82.8 | Confident | 81.6 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.1 | -178.4 | -57 | 179.5 | 0 | 0 | 0 | 111.1 | A299 K303 V326 P335 M337 | A299-L301 HydrophobicContact CB-CG 4.46Å; L301-K303 PolarHBondContact O-N 2.9Å; L301-K303 VanDerWaalsContact O-N 3.13Å; L301-V326 HydrophobicContact CD2-CG2 4.13Å; L301-P335 HydrophobicContact CD1-CB 4.4Å; L301-M337 HydrophobicContact CD2-CG 4.06Å |
| 302 | N | 79.6 | Confident | 81 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.8 | 35.2 | 176.4 | -63.2 | -45.7 | 0 | 0 | 0 | 113.7 | I210 I323 S324 K338 | I210-N302 WeakPolarHBondContact CD1-OD1 3.34Å; N302-I323 CarbonylContact C-O 3.51Å; N302-I323 VanDerWaalsContact CA-O 3.28Å; N302-I323 WeakPolarHBondContact CA-O 3.36Å; N302-I323 PolarHBondContact N-O 2.84Å; N302-S324 PolarHBondContact N-OG 2.64Å; N302-K338 PolarHBondContact ND2-O 3.15Å |
| 303 | K | 84.5 | Confident | 80.1 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 143.1 | 177.8 | -64.6 | -59.5 | -176 | 178.1 | 0 | 110.4 | M300 L301 I323 N351 L353 | M300-K303 HydrophobicContact CB-CG 3.85Å; M300-K303 HydrophobicContact CG-CG 4.37Å; M300-K303 HydrophobicContact SD-CG 4.41Å; L301-K303 PolarHBondContact O-N 2.9Å; L301-K303 VanDerWaalsContact O-N 3.13Å; K303-I323 PolarHBondContact N-O 2.86Å; K303-I323 PolarHBondContact O-N 3.48Å; K303-N351 HydrophobicContact CD-CB 4.12Å; K303-N351 WeakPolarHBondContact CD-O 3.42Å; K303-N351 PolarHBondContact NZ-OD1 3.42Å; K303-L353 HydrophobicContact CB-CD1 4.2Å; K303-L353 HydrophobicContact CB-CG 4.44Å |
| 304 | W | 85.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.011 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141.2 | 176.1 | -73.2 | 94.3 | 0 | 0 | 0 | 110.5 | E211 R213 L321 K322 E346 N351 L352 L353 M439 | E211-W304 HydrophobicContact CG-CH2 3.8Å; E211-W304 HydrophobicContact CG-CZ2 4.49Å; E211-W304 HydrophobicContact CG-CZ3 4.46Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.16Å; R213-W304 HydrophobicContact CB-CH2 4.46Å; R213-W304 HydrophobicContact CB-CZ3 4.35Å; R213-W304 VanDerWaalsContact CD-CH2 3.5Å; R213-W304 HydrophobicContact CG-CH2 3.76Å; R213-W304 HydrophobicContact CG-CZ3 4.09Å; W304-L321 CarbonylContact C-O 3.42Å; W304-L321 WeakPolarHBondContact CA-O 3.36Å; W304-K322 HydrophobicContact CD2-CB 3.79Å; W304-K322 HydrophobicContact CD2-CD 4.46Å; W304-K322 HydrophobicContact CD2-CG 3.93Å; W304-K322 HydrophobicContact CE3-CB 3.69Å; W304-K322 HydrophobicContact CE3-CG 4.35Å; W304-K322 HydrophobicContact CG-CG 4.38Å; W304-K322 HydrophobicContact CH2-CB 3.69Å; W304-K322 HydrophobicContact CH2-CD 4.22Å; W304-K322 HydrophobicContact CH2-CG 4.32Å; W304-K322 HydrophobicContact CZ2-CB 3.8Å; W304-K322 HydrophobicContact CZ2-CD 3.57Å; W304-K322 HydrophobicContact CZ2-CG 3.91Å; W304-K322 HydrophobicContact CZ3-CB 3.65Å; W304-E346 PolarHBondContact NE1-OE1 3.09Å; W304-N351 PolarHBondContact N-O 3.01Å; W304-L352 HydrophobicContact CB-CD1 3.88Å; W304-L353 PolarHBondContact O-N 3.15Å; W304-M439 HydrophobicContact CB-CE 3.22Å; W304-M439 HydrophobicContact CB-SD 3.52Å; W304-M439 VanDerWaalsContact CB-SD 3.52Å; W304-M439 VanDerWaalsContact CD1-CE 3.45Å; W304-M439 HydrophobicContact CD2-CE 3.77Å; W304-M439 HydrophobicContact CD2-SD 3.58Å; W304-M439 VanDerWaalsContact CD2-SD 3.58Å; W304-M439 HydrophobicContact CE3-CE 4.49Å; W304-M439 HydrophobicContact CE3-SD 3.71Å; W304-M439 HydrophobicContact CG-CE 3.17Å; W304-M439 HydrophobicContact CG-SD 3.54Å; W304-M439 VanDerWaalsContact CG-SD 3.54Å |
| 305 | L | 87.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.4 | 175 | -53.7 | -172.4 | 0 | 0 | 0 | 110.2 | F268 F285 F287 L307 Y320 L321 I323 L353 | F268-L305 HydrophobicContact CB-CD1 4.04Å; F268-L305 HydrophobicContact CD1-CD1 4.23Å; F268-L305 HydrophobicContact CD2-CD1 3.33Å; F268-L305 HydrophobicContact CE2-CD1 3.76Å; F268-L305 HydrophobicContact CG-CD1 3.6Å; F268-L305 HydrophobicContact CZ-CD1 4.36Å; F285-L305 HydrophobicContact CB-CB 4.09Å; F285-L305 HydrophobicContact CB-CD1 4.13Å; F285-L305 HydrophobicContact CD1-CB 4.01Å; F285-L305 HydrophobicContact CD1-CD1 3.72Å; F285-L305 HydrophobicContact CD1-CD2 3.74Å; F285-L305 HydrophobicContact CD1-CG 4.03Å; F285-L305 HydrophobicContact CD2-CB 4.23Å; F285-L305 HydrophobicContact CE1-CD1 4.49Å; F285-L305 HydrophobicContact CE1-CD2 3.66Å; F285-L305 HydrophobicContact CE1-CG 4.43Å; F285-L305 HydrophobicContact CG-CB 3.86Å; F285-L305 HydrophobicContact CG-CD1 4.14Å; F285-L305 HydrophobicContact CG-CD2 4.45Å; F285-L305 HydrophobicContact CG-CG 4.38Å; F285-L305 HydrophobicContact CZ-CD2 4.27Å; F287-L305 HydrophobicContact CE1-CD2 4.26Å; L305-L307 PolarHBondContact O-N 2.94Å; L305-Y320 VanDerWaalsContact O-CA 3.31Å; L305-Y320 WeakPolarHBondContact O-CA 3.45Å; L305-L321 HydrophobicContact CB-CB 4.36Å; L305-L321 HydrophobicContact CD1-CD2 4.48Å; L305-L321 PolarHBondContact N-O 3.31Å; L305-L321 PolarHBondContact O-N 3.17Å; L305-I323 HydrophobicContact CD1-CD1 3.54Å; L305-I323 HydrophobicContact CD1-CG1 4.17Å; L305-I323 HydrophobicContact CD1-CG2 4.25Å; L305-I323 HydrophobicContact CD2-CD1 3.83Å; L305-I323 HydrophobicContact CD2-CG1 4.16Å; L305-I323 HydrophobicContact CG-CD1 3.78Å; L305-I323 HydrophobicContact CG-CG1 3.97Å; L305-I323 HydrophobicContact CG-CG2 4.49Å; L305-L353 HydrophobicContact CD2-CB 3.94Å; L305-L353 HydrophobicContact CD2-CD1 3.76Å; L305-L353 HydrophobicContact CD2-CG 4.33Å |
| 306 | L | 86 | Confident | 78.1 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 97.6 | 173 | -179.1 | 68.6 | 0 | 0 | 0 | 111.2 | F285 A317 Y320 L352 L353 R354 V358 L360 | F285-L306 WeakPolarHBondContact CD2-O 3.43Å; L306-A317 HydrophobicContact CD1-CB 3.53Å; L306-A317 HydrophobicContact CG-CB 4.28Å; L306-Y320 HydrophobicContact CD1-CD1 3.92Å; L306-Y320 HydrophobicContact CD1-CE1 3.31Å; L306-L352 HydrophobicContact CB-CD1 4.15Å; L306-L353 PolarHBondContact N-O 2.95Å; L306-R354 HydrophobicContact CD2-CG 4.28Å; L306-V358 HydrophobicContact CD2-CG1 3.92Å; L306-L360 HydrophobicContact CD1-CD2 3.76Å; L306-L360 HydrophobicContact CD2-CD2 3.68Å; L306-L360 HydrophobicContact CD2-CG 4.1Å; L306-L360 HydrophobicContact CG-CD2 4.4Å |
| 307 | L | 86.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 140.5 | -179.9 | -56.8 | 174.1 | 0 | 0 | 0 | 110.9 | L215 V270 F285 L305 A317 K318 G319 L321 | L215-L307 HydrophobicContact CD2-CD1 3.66Å; V270-L307 HydrophobicContact CB-CD1 4.23Å; V270-L307 HydrophobicContact CG2-CD1 3.64Å; V270-L307 HydrophobicContact CG2-CD2 4.4Å; F285-L307 HydrophobicContact CB-CD2 4.1Å; L305-L307 PolarHBondContact O-N 2.94Å; L307-A317 CarbonylContact O-C 3.57Å; L307-K318 HydrophobicContact CB-CB 4.17Å; L307-K318 PolarHBondContact O-N 2.69Å; L307-G319 WeakPolarHBondContact CB-O 3.26Å; L307-G319 PolarHBondContact N-O 3.34Å; L307-L321 HydrophobicContact CD1-CB 4.45Å; L307-L321 HydrophobicContact CD2-CB 4.27Å; L307-L321 HydrophobicContact CG-CB 4.44Å |
| 308 | C | 80.3 | Confident | 78.3 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 9% | 0.088 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 165.7 | 174.4 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | S284 P310 | S284-C308 PolarHBondContact N-O 3.22Å; S284-C308 PolarHBondContact O-N 2.81Å; S284-C308 PolarHBondContact O-SG 2.68Å; C308-P310 WeakPolarHBondContact O-CD 2.93Å |
| 309 | N | 80 | Confident | 78.1 | Confident | 44 Ų | 44 | 41.7 Ų | 41.7 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | trans | -77.5 | 118.9 | 168.4 | -173.9 | -14.9 | 0 | 0 | 0 | 108.6 | E311 D312 S315 | N309-E311 PolarHBondContact O-N 2.93Å; N309-E311 PolarHBondContact OD1-N 3.48Å; N309-D312 CarbonylContact O-C 3.3Å; N309-D312 PolarHBondContact O-N 2.87Å; N309-S315 WeakPolarHBondContact CB-OG 3.4Å | ||
| 310 | P | 72.8 | Confident | 78.2 | Confident | 74 Ų | 74 | 41 Ų | 41 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -65.2 | -24.4 | 179.9 | 26.8 | -34.5 | 0 | 0 | 0 | 113.3 | L281 C308 | L281-P310 HydrophobicContact CD2-CG 4.1Å; C308-P310 WeakPolarHBondContact O-CD 2.93Å |
| 311 | E | 73.6 | Confident | 78.4 | Confident | 175 Ų | 175 | 40.7 Ų | 40.7 | 82% | 0.818 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -83.6 | -23.4 | 177.6 | -60.7 | -172.5 | 168.5 | 0 | 0 | 112.5 | N309 | N309-E311 PolarHBondContact O-N 2.93Å; N309-E311 PolarHBondContact OD1-N 3.48Å |
| 312 | D | 71 | Confident | 78.8 | Confident | 73 Ų | 73 | 38.6 Ų | 38.6 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | trans | -142.7 | 83.6 | 178 | -175.8 | 6.8 | 0 | 0 | 0 | 111.3 | N309 M314 S315 | N309-D312 CarbonylContact O-C 3.3Å; N309-D312 PolarHBondContact O-N 2.87Å; D312-M314 PolarHBondContact O-N 3.25Å; D312-M314 VanDerWaalsContact O-N 3.17Å; D312-M314 WeakPolarHBondContact OD1-CB 3.28Å; D312-M314 PolarHBondContact OD1-N 3.5Å; D312-M314 VanDerWaalsContact OD1-N 3.13Å; D312-S315 VanDerWaalsContact O-CB 3.28Å; D312-S315 WeakPolarHBondContact O-CB 3.1Å; D312-S315 PolarHBondContact O-N 3.08Å; D312-S315 PolarHBondContact O-OG 3.28Å; D312-S315 PolarHBondContact OD1-N 2.85Å; D312-S315 WeakPolarHBondContact OD2-CB 3.25Å | ||
| 313 | P | 63.4 | Low | 79.3 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 42% | 0.422 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -62.1 | -21.3 | 177.4 | -21 | 32.2 | 0 | 0 | 0 | 113.3 | S315 V358 | P313-S315 VanDerWaalsContact C-N 3.27Å; P313-V358 HydrophobicContact CB-CG2 4.19Å |
| 314 | M | 66.6 | Low | 79.6 | Confident | 169 Ų | 169 | 34.9 Ų | 34.9 | 83% | 0.833 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -79.8 | -11.7 | 178.7 | -59.9 | -57.4 | -62.3 | 0 | 0 | 112.3 | D312 G316 | D312-M314 PolarHBondContact O-N 3.25Å; D312-M314 VanDerWaalsContact O-N 3.17Å; D312-M314 WeakPolarHBondContact OD1-CB 3.28Å; D312-M314 PolarHBondContact OD1-N 3.5Å; D312-M314 VanDerWaalsContact OD1-N 3.13Å; M314-G316 PolarHBondContact O-N 3.01Å; M314-G316 VanDerWaalsContact O-N 3.12Å |
| 315 | S | 67.6 | Low | 79.8 | Confident | 40 Ų | 40 | 34.8 Ų | 34.8 | 28% | 0.28 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -67.9 | -3.1 | 174.2 | 70.5 | 0 | 0 | 0 | 0 | 114.5 | N309 D312 P313 K318 | N309-S315 WeakPolarHBondContact CB-OG 3.4Å; D312-S315 VanDerWaalsContact O-CB 3.28Å; D312-S315 WeakPolarHBondContact O-CB 3.1Å; D312-S315 PolarHBondContact O-N 3.08Å; D312-S315 PolarHBondContact O-OG 3.28Å; D312-S315 PolarHBondContact OD1-N 2.85Å; D312-S315 WeakPolarHBondContact OD2-CB 3.25Å; P313-S315 VanDerWaalsContact C-N 3.27Å; S315-K318 WeakPolarHBondContact OG-CE 3.27Å |
| 316 | G | 67.3 | Low | 79.7 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | trans | 81.8 | -169.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M314 | M314-G316 PolarHBondContact O-N 3.01Å; M314-G316 VanDerWaalsContact O-N 3.12Å | ||
| 317 | A | 75.9 | Confident | 79.7 | Confident | 18 Ų | 18 | 34.8 Ų | 34.8 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 138.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L306 L307 P437 | L306-A317 HydrophobicContact CD1-CB 3.53Å; L306-A317 HydrophobicContact CG-CB 4.28Å; L307-A317 CarbonylContact O-C 3.57Å; A317-P437 HydrophobicContact CB-CG 3.55Å |
| 318 | K | 79.1 | Confident | 79.3 | Confident | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.057 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 2.5 | -177.9 | -57.5 | -62.7 | 177.3 | -166.2 | 0 | 114 | Q216 I282 L307 S315 | Q216-K318 PolarHBondContact N-O 3.46Å; Q216-K318 VanDerWaalsContact N-O 3.11Å; I282-K318 WeakPolarHBondContact O-CB 3.45Å; I282-K318 WeakPolarHBondContact O-CG 3.33Å; L307-K318 HydrophobicContact CB-CB 4.17Å; L307-K318 PolarHBondContact O-N 2.69Å; S315-K318 WeakPolarHBondContact OG-CE 3.27Å |
| 319 | G | 80.7 | Confident | 79 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.1 | -175.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q214 L307 | Q214-G319 WeakPolarHBondContact O-CA 3.21Å; L307-G319 WeakPolarHBondContact CB-O 3.26Å; L307-G319 PolarHBondContact N-O 3.34Å |
| 320 | Y | 86.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.3 | -174.2 | -57.2 | -85.8 | 0 | 0 | 0 | 111.6 | A212 R213 Q214 L305 L306 L352 P437 M439 | A212-Y320 CarbonylContact C-O 3.49Å; A212-Y320 WeakPolarHBondContact CA-O 3.37Å; A212-Y320 WeakPolarHBondContact CB-O 3.43Å; R213-Y320 PolarHBondContact N-O 2.78Å; R213-Y320 PolarHBondContact O-N 2.76Å; Q214-Y320 HydrophobicContact CB-CD2 4.23Å; Q214-Y320 HydrophobicContact CB-CE2 4.48Å; L305-Y320 VanDerWaalsContact O-CA 3.31Å; L305-Y320 WeakPolarHBondContact O-CA 3.45Å; L306-Y320 HydrophobicContact CD1-CD1 3.92Å; L306-Y320 HydrophobicContact CD1-CE1 3.31Å; Y320-L352 HydrophobicContact CD1-CD1 3.99Å; Y320-L352 HydrophobicContact CE1-CD1 4.16Å; Y320-L352 HydrophobicContact CE1-CD2 4.23Å; Y320-P437 HydrophobicContact CE2-CB 4.12Å; Y320-P437 HydrophobicContact CE2-CG 4.19Å; Y320-P437 WeakPolarHBondContact OH-CB 3.47Å; Y320-P437 VanDerWaalsContact OH-CG 3.25Å; Y320-P437 WeakPolarHBondContact OH-CG 3.34Å; Y320-P437 PolarHBondContact OH-O 2.92Å; Y320-M439 VanDerWaalsContact CB-SD 3.59Å; Y320-M439 HydrophobicContact CD1-CG 3.22Å; Y320-M439 HydrophobicContact CD1-SD 3.04Å; Y320-M439 WeakPolarHBondContact CD1-SD 3.41Å; Y320-M439 HydrophobicContact CD2-CG 3.73Å; Y320-M439 HydrophobicContact CD2-SD 4.2Å; Y320-M439 HydrophobicContact CE1-CG 3.16Å; Y320-M439 HydrophobicContact CE1-SD 3.61Å; Y320-M439 HydrophobicContact CE2-CG 3.78Å; Y320-M439 HydrophobicContact CG-CG 3.45Å; Y320-M439 VanDerWaalsContact CG-CG 3.45Å; Y320-M439 HydrophobicContact CG-SD 3.34Å; Y320-M439 VanDerWaalsContact CZ-CG 3.5Å |
| 321 | L | 90 | Very high | 77.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.3 | 177.6 | -173.1 | 71.3 | 0 | 0 | 0 | 109.8 | V209 A212 C224 W246 F268 V270 W304 L305 L307 I323 | V209-L321 HydrophobicContact CG1-CD1 3.81Å; V209-L321 HydrophobicContact CG1-CG 4.44Å; A212-L321 HydrophobicContact CB-CD1 3.9Å; C224-L321 VanDerWaalsContact SG-CD2 3.59Å; W246-L321 HydrophobicContact CZ3-CD1 3.8Å; F268-L321 HydrophobicContact CB-CD2 3.89Å; F268-L321 HydrophobicContact CD1-CD2 3.75Å; F268-L321 HydrophobicContact CG-CD2 4.1Å; V270-L321 HydrophobicContact CG2-CD1 4.48Å; W304-L321 CarbonylContact C-O 3.42Å; W304-L321 WeakPolarHBondContact CA-O 3.36Å; L305-L321 HydrophobicContact CB-CB 4.36Å; L305-L321 HydrophobicContact CD1-CD2 4.48Å; L305-L321 PolarHBondContact N-O 3.31Å; L305-L321 PolarHBondContact O-N 3.17Å; L307-L321 HydrophobicContact CD1-CB 4.45Å; L307-L321 HydrophobicContact CD2-CB 4.27Å; L307-L321 HydrophobicContact CG-CB 4.44Å; L321-I323 HydrophobicContact CD2-CG2 3.79Å; L321-I323 HydrophobicContact CG-CG2 3.77Å |
| 322 | K | 90 | Very high | 77.3 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.9 | 174.3 | -159.2 | 178.1 | -162.7 | 160.6 | 0 | 109.7 | I210 E211 W304 E346 | I210-K322 HydrophobicContact CB-CB 4.29Å; I210-K322 HydrophobicContact CD1-CD 4.32Å; I210-K322 HydrophobicContact CD1-CG 4.21Å; I210-K322 PolarHBondContact N-O 3.36Å; E211-K322 HydrophobicContact CG-CB 3.89Å; E211-K322 HydrophobicContact CG-CD 4.34Å; E211-K322 PolarHBondContact O-N 3.42Å; W304-K322 HydrophobicContact CD2-CB 3.79Å; W304-K322 HydrophobicContact CD2-CD 4.46Å; W304-K322 HydrophobicContact CD2-CG 3.93Å; W304-K322 HydrophobicContact CE3-CB 3.69Å; W304-K322 HydrophobicContact CE3-CG 4.35Å; W304-K322 HydrophobicContact CG-CG 4.38Å; W304-K322 HydrophobicContact CH2-CB 3.69Å; W304-K322 HydrophobicContact CH2-CD 4.22Å; W304-K322 HydrophobicContact CH2-CG 4.32Å; W304-K322 HydrophobicContact CZ2-CB 3.8Å; W304-K322 HydrophobicContact CZ2-CD 3.57Å; W304-K322 HydrophobicContact CZ2-CG 3.91Å; W304-K322 HydrophobicContact CZ3-CB 3.65Å; K322-E346 VanDerWaalsContact CE-OE1 3.3Å; K322-E346 WeakPolarHBondContact CE-OE1 3.41Å; K322-E346 VanDerWaalsContact NZ-CD 3.3Å; K322-E346 IonicContact NZ-OE1 3.56Å; K322-E346 PolarHBondContact NZ-OE1 2.7Å; K322-E346 IonicContact NZ-OE2 3.29Å; K322-E346 PolarHBondContact NZ-OE2 2.67Å |
| 323 | I | 91.3 | Very high | 76.6 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 170.6 | -178.4 | 69.5 | 164.4 | 0 | 0 | 0 | 112.1 | K208 V209 F268 N302 K303 L305 L321 V325 | K208-I323 CarbonylContact O-C 3.51Å; K208-I323 WeakPolarHBondContact O-CA 3.18Å; K208-I323 WeakPolarHBondContact O-CB 3.32Å; V209-I323 HydrophobicContact CG2-CG2 4.47Å; F268-I323 HydrophobicContact CD1-CG2 4.16Å; F268-I323 HydrophobicContact CD2-CD1 4.45Å; F268-I323 HydrophobicContact CE1-CB 4.43Å; F268-I323 HydrophobicContact CE1-CD1 3.91Å; F268-I323 HydrophobicContact CE1-CG2 3.82Å; F268-I323 HydrophobicContact CE2-CD1 3.66Å; F268-I323 HydrophobicContact CZ-CD1 3.33Å; F268-I323 HydrophobicContact CZ-CG2 4.37Å; N302-I323 CarbonylContact C-O 3.51Å; N302-I323 VanDerWaalsContact CA-O 3.28Å; N302-I323 WeakPolarHBondContact CA-O 3.36Å; N302-I323 PolarHBondContact N-O 2.84Å; K303-I323 PolarHBondContact N-O 2.86Å; K303-I323 PolarHBondContact O-N 3.48Å; L305-I323 HydrophobicContact CD1-CD1 3.54Å; L305-I323 HydrophobicContact CD1-CG1 4.17Å; L305-I323 HydrophobicContact CD1-CG2 4.25Å; L305-I323 HydrophobicContact CD2-CD1 3.83Å; L305-I323 HydrophobicContact CD2-CG1 4.16Å; L305-I323 HydrophobicContact CG-CD1 3.78Å; L305-I323 HydrophobicContact CG-CG1 3.97Å; L305-I323 HydrophobicContact CG-CG2 4.49Å; L321-I323 HydrophobicContact CD2-CG2 3.79Å; L321-I323 HydrophobicContact CG-CG2 3.77Å; I323-V325 HydrophobicContact CD1-CG2 3.49Å; I323-V325 VanDerWaalsContact CD1-CG2 3.49Å; I323-V325 HydrophobicContact CG1-CG2 4.35Å |
| 324 | S | 90.3 | Very high | 76.6 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131 | 160.7 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | V207 K208 M300 N302 | V207-S324 CarbonylContact C-O 3.48Å; V207-S324 WeakPolarHBondContact CA-O 3.27Å; K208-S324 PolarHBondContact N-O 3.11Å; K208-S324 PolarHBondContact O-N 3.46Å; M300-S324 CarbonylContact O-C 3.55Å; M300-S324 WeakPolarHBondContact O-CA 3.44Å; N302-S324 PolarHBondContact N-OG 2.64Å |
| 325 | V | 89.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.4 | 178.8 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | I205 R206 V207 L266 F268 F287 V292 A299 M300 I323 | I205-V325 HydrophobicContact CG2-CG1 3.95Å; R206-V325 CarbonylContact O-C 3.45Å; R206-V325 WeakPolarHBondContact O-CA 3.36Å; V207-V325 HydrophobicContact CG2-CG1 4.25Å; V207-V325 HydrophobicContact CG2-CG2 4.39Å; L266-V325 HydrophobicContact CD2-CG1 3.9Å; L266-V325 HydrophobicContact CD2-CG2 3.91Å; F268-V325 HydrophobicContact CZ-CG2 4.23Å; F287-V325 HydrophobicContact CZ-CG2 4.29Å; V292-V325 HydrophobicContact CG1-CB 4.15Å; V292-V325 HydrophobicContact CG1-CG1 4Å; V292-V325 HydrophobicContact CG2-CB 4.38Å; V292-V325 HydrophobicContact CG2-CG1 3.9Å; A299-V325 CarbonylContact C-O 3.58Å; A299-V325 WeakPolarHBondContact CA-O 3.45Å; M300-V325 PolarHBondContact N-O 3.48Å; M300-V325 PolarHBondContact O-N 3Å; I323-V325 HydrophobicContact CD1-CG2 3.49Å; I323-V325 VanDerWaalsContact CD1-CG2 3.49Å; I323-V325 HydrophobicContact CG1-CG2 4.35Å |
| 326 | V | 86.4 | Confident | 76 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.2 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | I205 R206 A299 L301 L328 P335 | I205-V326 CarbonylContact C-O 3.58Å; I205-V326 VanDerWaalsContact CA-O 3.32Å; I205-V326 WeakPolarHBondContact CA-O 3.3Å; R206-V326 HydrophobicContact CB-CB 4.19Å; R206-V326 HydrophobicContact CG-CB 4.47Å; R206-V326 PolarHBondContact N-O 3.47Å; R206-V326 PolarHBondContact O-N 2.84Å; A299-V326 HydrophobicContact CB-CB 4.43Å; A299-V326 HydrophobicContact CB-CG1 4.22Å; A299-V326 HydrophobicContact CB-CG2 3.96Å; L301-V326 HydrophobicContact CD2-CG2 4.13Å; V326-L328 HydrophobicContact CG1-CD2 3.65Å; V326-L328 HydrophobicContact CG1-CG 3.85Å; V326-P335 HydrophobicContact CG1-CG 3.97Å; V326-P335 HydrophobicContact CG2-CG 3.93Å |
| 327 | I | 85.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.2 | 169.2 | -54.5 | -170.3 | 0 | 0 | 0 | 107.1 | F203 Q204 I205 M261 L289 V292 Y293 H298 | F203-I327 HydrophobicContact CD1-CG2 4.15Å; Q204-I327 CarbonylContact O-C 3.56Å; Q204-I327 WeakPolarHBondContact O-CA 3.47Å; I205-I327 HydrophobicContact CG1-CD1 4.4Å; I205-I327 HydrophobicContact CG1-CG1 4.06Å; I205-I327 HydrophobicContact CG1-CG2 4.26Å; I205-I327 HydrophobicContact CG2-CG1 4.39Å; M261-I327 HydrophobicContact CE-CG2 3.91Å; L289-I327 HydrophobicContact CB-CD1 3.86Å; L289-I327 HydrophobicContact CD2-CD1 3.83Å; L289-I327 HydrophobicContact CG-CD1 4.41Å; L289-I327 VanDerWaalsContact O-CD1 3.28Å; L289-I327 WeakPolarHBondContact O-CD1 3.42Å; V292-I327 HydrophobicContact CB-CD1 3.6Å; V292-I327 HydrophobicContact CB-CG1 3.73Å; V292-I327 HydrophobicContact CG1-CD1 4.32Å; V292-I327 HydrophobicContact CG1-CG1 3.87Å; V292-I327 HydrophobicContact CG2-CD1 3.87Å; V292-I327 HydrophobicContact CG2-CG1 4.17Å; Y293-I327 HydrophobicContact CD2-CB 4.06Å; Y293-I327 HydrophobicContact CD2-CG2 3.7Å; Y293-I327 HydrophobicContact CE2-CG2 4.25Å; H298-I327 WeakPolarHBondContact CB-O 3.49Å; H298-I327 PolarHBondContact O-N 2.97Å |
| 328 | L | 77.5 | Confident | 74.7 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.8 | 175.7 | -60.5 | 173.8 | 0 | 0 | 0 | 107.3 | F203 Q204 R206 V326 D332 A334 | F203-L328 CarbonylContact C-O 3.59Å; F203-L328 VanDerWaalsContact CA-O 3.31Å; F203-L328 WeakPolarHBondContact CA-O 3.4Å; Q204-L328 PolarHBondContact N-O 3.02Å; Q204-L328 PolarHBondContact O-N 2.83Å; R206-L328 VanDerWaalsContact CZ-CD1 3.42Å; R206-L328 VanDerWaalsContact NH2-CD1 3.26Å; V326-L328 HydrophobicContact CG1-CD2 3.65Å; V326-L328 HydrophobicContact CG1-CG 3.85Å; L328-D332 HydrophobicContact CB-CB 4.49Å; L328-D332 HydrophobicContact CD2-CB 3.86Å; L328-A334 HydrophobicContact CD1-CB 3.84Å; L328-A334 HydrophobicContact CD2-CB 4.46Å |
| 329 | G | 73.8 | Confident | 73.4 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -101.5 | -169.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G331 D332 G1576 | G329-G331 PolarHBondContact O-N 3.45Å; G329-D332 WeakPolarHBondContact CA-OD2 3.33Å; G329-D332 PolarHBondContact N-OD2 3.07Å; G329-D332 PolarHBondContact O-N 3.33Å; G329-G1576 VanDerWaalsContact C-CA 3.43Å | ||
| 330 | P | 62.9 | Low | 71.9 | Confident | 29 Ų | 29 | 40.9 Ų | 40.9 | 19% | 0.188 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -26 | 96.5 | 159.4 | -28.6 | 22.1 | 0 | 0 | 0 | 118.9 | Q201 D202 S1574 S1575 G1576 | Q201-P330 HydrophobicContact CB-CG 3.86Å; Q201-P330 HydrophobicContact CG-CG 4.04Å; D202-P330 VanDerWaalsContact O-CD 3.24Å; D202-P330 WeakPolarHBondContact O-CD 3.34Å; P330-S1574 CarbonylContact C-O 3.57Å; P330-S1574 WeakPolarHBondContact CA-O 3.12Å; P330-S1574 WeakPolarHBondContact CB-O 3.19Å; P330-S1575 VanDerWaalsContact CA-CA 3.5Å; P330-S1575 VanDerWaalsContact CB-CA 3.46Å; P330-S1575 VanDerWaalsContact CD-C 3.4Å; P330-S1575 VanDerWaalsContact CD-O 3.3Å; P330-S1575 WeakPolarHBondContact CD-O 3.49Å; P330-S1575 WeakPolarHBondContact CG-O 3.38Å; P330-G1576 VanDerWaalsContact CD-CA 3.46Å; P330-G1576 VanDerWaalsContact N-N 3.13Å |
| 331 | G | 59.8 | Low | 70.2 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 44% | 0.443 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 10.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | G329 D1573 S1574 | G329-G331 PolarHBondContact O-N 3.45Å; G331-D1573 PolarHBondContact N-O 2.91Å; G331-S1574 PolarHBondContact N-O 3.26Å; G331-S1574 VanDerWaalsContact N-O 3.07Å |
| 332 | D | 68.3 | Low | 68.4 | Low | 46 Ų | 46 | 50.5 Ų | 50.5 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 124.5 | -176.9 | -63.8 | -33.7 | 0 | 0 | 0 | 111.6 | H298 L328 G329 | H298-D332 IonicContact CD2-OD1 2.83Å; H298-D332 PolarHBondContact CD2-OD1 3.44Å; H298-D332 IonicContact CD2-OD2 2.65Å; H298-D332 PolarHBondContact CD2-OD2 3.3Å; H298-D332 IonicContact CG-OD2 2.85Å; H298-D332 IonicContact NE2-OD1 3.55Å; H298-D332 PolarHBondContact NE2-OD1 3.02Å; H298-D332 IonicContact NE2-OD2 3.55Å; L328-D332 HydrophobicContact CB-CB 4.49Å; L328-D332 HydrophobicContact CD2-CB 3.86Å; G329-D332 WeakPolarHBondContact CA-OD2 3.33Å; G329-D332 PolarHBondContact N-OD2 3.07Å; G329-D332 PolarHBondContact O-N 3.33Å |
| 333 | E | 56.5 | Low | 66.7 | Low | 174 Ų | 174 | 52.6 Ų | 52.6 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 130.4 | 172.1 | -76.8 | -174.2 | 174.6 | 0 | 0 | 111.8 | P335 | E333-P335 WeakPolarHBondContact O-CD 3.35Š|
| 334 | A | 62 | Low | 64.8 | Low | 46 Ų | 46 | 56.9 Ų | 56.9 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 123.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L328 | L328-A334 HydrophobicContact CD1-CB 3.84Å; L328-A334 HydrophobicContact CD2-CB 4.46Å |
| 335 | P | 64.3 | Low | 63 | Low | 19 Ų | 19 | 63.9 Ų | 63.9 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 149.1 | 175.8 | 26.6 | -30.6 | 0 | 0 | 0 | 113.2 | A299 L301 V326 E333 M337 | A299-P335 HydrophobicContact CB-CG 3.67Å; L301-P335 HydrophobicContact CD1-CB 4.4Å; V326-P335 HydrophobicContact CG1-CG 3.97Å; V326-P335 HydrophobicContact CG2-CG 3.93Å; E333-P335 WeakPolarHBondContact O-CD 3.35Å; P335-M337 PolarHBondContact O-N 3.37Å |
| 336 | I | 58.4 | Low | 61.4 | Low | 139 Ų | 139 | 65.2 Ų | 65.2 | 71% | 0.713 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 118.2 | 177.4 | -55.7 | 170.2 | 0 | 0 | 0 | 110.1 | K338 | I336-K338 HydrophobicContact CG2-CG 4Å; I336-K338 PolarHBondContact O-N 3.02Å; I336-K338 VanDerWaalsContact O-N 3.1Å |
| 337 | M | 60 | Low | 60.1 | Low | 43 Ų | 43 | 69.8 Ų | 69.8 | 21% | 0.212 | 38% | 0.379 | C | S | . | . | trans | -85.2 | 74.1 | -179.1 | -54.7 | 174 | 80.7 | 0 | 0 | 111.9 | K208 L301 P335 | K208-M337 HydrophobicContact CB-CE 3.33Å; K208-M337 HydrophobicContact CD-CE 4.08Å; K208-M337 HydrophobicContact CG-CE 4.33Å; L301-M337 HydrophobicContact CD2-CG 4.06Å; P335-M337 PolarHBondContact O-N 3.37Å | ||
| 338 | K | 54.9 | Low | 58.9 | Low | 162 Ų | 162 | 70.2 Ų | 70.2 | 70% | 0.704 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 147 | 173.9 | -74.2 | -172 | 178.3 | 179.8 | 0 | 112.3 | N302 I336 | N302-K338 PolarHBondContact ND2-O 3.15Å; I336-K338 HydrophobicContact CG2-CG 4Å; I336-K338 PolarHBondContact O-N 3.02Å; I336-K338 VanDerWaalsContact O-N 3.1Å |
| 339 | V | 53.3 | Low | 58.2 | Low | 94 Ų | 94 | 73.3 Ų | 73.3 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 128.8 | 166.5 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 340 | G | 47.9 | Very low | 57.6 | Low | 36 Ų | 36 | 74.9 Ų | 74.9 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65 | 172.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 341 | E | 50.5 | Low | 58 | Low | 134 Ų | 134 | 75.3 Ų | 75.3 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -63.7 | 173.2 | 172.3 | -68.1 | -163.4 | 178.4 | 0 | 0 | 112.1 | K345 | E341-K345 WeakPolarHBondContact OE2-CD 3.48Å; E341-K345 IonicContact OE2-NZ 2.67Å; E341-K345 PolarHBondContact OE2-NZ 2.8Å |
| 342 | S | 52.2 | Low | 58.7 | Low | 68 Ų | 68 | 74.4 Ų | 74.4 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 144.6 | 179.6 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | E344 K345 | S342-E344 PolarHBondContact O-N 3.09Å; S342-K345 PolarHBondContact O-N 2.65Å; S342-K345 VanDerWaalsContact O-N 3.07Å |
| 343 | D | 54.1 | Low | 59.2 | Low | 57 Ų | 57 | 74.2 Ų | 74.2 | 31% | 0.305 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -43.2 | -31.6 | 177.1 | -62.1 | -50.2 | 0 | 0 | 0 | 114.4 | R213 K345 | R213-D343 IonicContact CZ-OD1 2.7Å; R213-D343 IonicContact NH1-OD1 3.28Å; R213-D343 PolarHBondContact NH1-OD1 2.98Å; R213-D343 IonicContact NH2-OD1 2.88Å; R213-D343 PolarHBondContact NH2-OD1 3.31Å; R213-D343 IonicContact NH2-OD2 2.65Å; D343-K345 VanDerWaalsContact C-N 3.32Å; D343-K345 PolarHBondContact O-N 3.27Å |
| 344 | E | 52.2 | Low | 60 | Low | 92 Ų | 92 | 72.8 Ų | 72.8 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -64.7 | -28.1 | -176.2 | -60.1 | -167.8 | 159.4 | 0 | 0 | 114.7 | S342 K444 | S342-E344 PolarHBondContact O-N 3.09Å; E344-K444 IonicContact OE1-NZ 2.7Å; E344-K444 PolarHBondContact OE1-NZ 2.95Å; E344-K444 IonicContact OE2-NZ 3.64Å; E344-K444 PolarHBondContact OE2-NZ 2.58Å |
| 345 | K | 52.9 | Low | 60.4 | Low | 148 Ų | 148 | 71.6 Ų | 71.6 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -105.5 | -8.6 | -175.2 | -69.5 | -178.3 | -178.2 | -179.5 | 0 | 113.9 | E341 S342 D343 | E341-K345 WeakPolarHBondContact OE2-CD 3.48Å; E341-K345 IonicContact OE2-NZ 2.67Å; E341-K345 PolarHBondContact OE2-NZ 2.8Å; S342-K345 PolarHBondContact O-N 2.65Å; S342-K345 VanDerWaalsContact O-N 3.07Å; D343-K345 VanDerWaalsContact C-N 3.32Å; D343-K345 PolarHBondContact O-N 3.27Å |
| 346 | E | 56.4 | Low | 60.4 | Low | 27 Ų | 27 | 75.8 Ų | 75.8 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -73.2 | 128.5 | -179.4 | -164.1 | 173.2 | 159.6 | 0 | 0 | 108.6 | W304 K322 I348 | W304-E346 PolarHBondContact NE1-OE1 3.09Å; K322-E346 VanDerWaalsContact CE-OE1 3.3Å; K322-E346 WeakPolarHBondContact CE-OE1 3.41Å; K322-E346 VanDerWaalsContact NZ-CD 3.3Å; K322-E346 IonicContact NZ-OE1 3.56Å; K322-E346 PolarHBondContact NZ-OE1 2.7Å; K322-E346 IonicContact NZ-OE2 3.29Å; K322-E346 PolarHBondContact NZ-OE2 2.67Å; E346-I348 HydrophobicContact CB-CG1 4.24Å; E346-I348 WeakPolarHBondContact O-CG1 3.13Å; E346-I348 PolarHBondContact O-N 3.06Å |
| 347 | D | 57.5 | Low | 60.6 | Low | 98 Ų | 98 | 72.8 Ų | 72.8 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | trans | -73.2 | 83.2 | 168.2 | -178.6 | 4.8 | 0 | 0 | 0 | 108.7 | E349 G350 N351 | D347-E349 PolarHBondContact O-N 3.12Å; D347-G350 PolarHBondContact O-N 3.42Å; D347-G350 PolarHBondContact OD1-N 2.86Å; D347-N351 WeakPolarHBondContact O-CB 3.26Å; D347-N351 VanDerWaalsContact O-CG 3.32Å; D347-N351 PolarHBondContact O-N 2.61Å; D347-N351 VanDerWaalsContact O-N 3.1Å; D347-N351 PolarHBondContact O-ND2 2.71Å | ||
| 348 | I | 62.4 | Low | 60.8 | Low | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -42.8 | -172.6 | -67.9 | 175.1 | 0 | 0 | 0 | 111.2 | E346 N351 L352 M439 C440 | E346-I348 HydrophobicContact CB-CG1 4.24Å; E346-I348 WeakPolarHBondContact O-CG1 3.13Å; E346-I348 PolarHBondContact O-N 3.06Å; I348-N351 PolarHBondContact O-N 3.35Å; I348-L352 PolarHBondContact O-N 3.03Å; I348-M439 HydrophobicContact CG2-CB 3.42Å; I348-M439 VanDerWaalsContact CG2-CB 3.42Å; I348-M439 HydrophobicContact CG2-CE 3.35Å; I348-M439 HydrophobicContact CG2-CG 4.34Å; I348-C440 HydrophobicContact CD1-CB 4.05Å |
| 349 | E | 62.8 | Low | 61.1 | Low | 73 Ų | 73 | 71.8 Ų | 71.8 | 34% | 0.341 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -37.5 | -179.7 | -70.7 | -172 | 169.1 | 0 | 0 | 111.4 | D347 N351 L352 | D347-E349 PolarHBondContact O-N 3.12Å; E349-N351 PolarHBondContact O-N 3.36Å; E349-L352 PolarHBondContact O-N 2.81Å |
| 350 | G | 61.3 | Low | 61.9 | Low | 36 Ų | 36 | 67.9 Ų | 67.9 | 37% | 0.371 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -21.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D347 | D347-G350 PolarHBondContact O-N 3.42Å; D347-G350 PolarHBondContact OD1-N 2.86Å |
| 351 | N | 69.7 | Low | 63.1 | Low | 39 Ų | 39 | 71.6 Ų | 71.6 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 5.4 | -179 | -71.5 | -40.6 | 0 | 0 | 0 | 114.9 | K303 W304 D347 I348 E349 | K303-N351 HydrophobicContact CD-CB 4.12Å; K303-N351 WeakPolarHBondContact CD-O 3.42Å; K303-N351 PolarHBondContact NZ-OD1 3.42Å; W304-N351 PolarHBondContact N-O 3.01Å; D347-N351 WeakPolarHBondContact O-CB 3.26Å; D347-N351 VanDerWaalsContact O-CG 3.32Å; D347-N351 PolarHBondContact O-N 2.61Å; D347-N351 VanDerWaalsContact O-N 3.1Å; D347-N351 PolarHBondContact O-ND2 2.71Å; I348-N351 PolarHBondContact O-N 3.35Å; E349-N351 PolarHBondContact O-N 3.36Å |
| 352 | L | 75.8 | Confident | 64.5 | Low | 24 Ų | 24 | 66.2 Ų | 66.2 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120 | -179.1 | -179 | 62.6 | 0 | 0 | 0 | 113 | W304 L306 Y320 I348 E349 R354 L360 M439 | W304-L352 HydrophobicContact CB-CD1 3.88Å; L306-L352 HydrophobicContact CB-CD1 4.15Å; Y320-L352 HydrophobicContact CD1-CD1 3.99Å; Y320-L352 HydrophobicContact CE1-CD1 4.16Å; Y320-L352 HydrophobicContact CE1-CD2 4.23Å; I348-L352 PolarHBondContact O-N 3.03Å; E349-L352 PolarHBondContact O-N 2.81Å; L352-R354 HydrophobicContact CD2-CG 4.32Å; L352-R354 HydrophobicContact CG-CG 4.19Å; L352-L360 HydrophobicContact CD2-CD1 3.59Å; L352-M439 HydrophobicContact CB-CE 4.08Å; L352-M439 HydrophobicContact CD1-CE 3.91Å; L352-M439 HydrophobicContact CD1-SD 3.93Å; L352-M439 HydrophobicContact CG-CE 4.4Å |
| 353 | L | 77.4 | Confident | 66 | Low | 42 Ų | 42 | 63 Ų | 63 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132 | 169.9 | -58.2 | 177 | 0 | 0 | 0 | 110.2 | F285 M300 K303 W304 L305 L306 | F285-L353 HydrophobicContact CE1-CB 4.2Å; F285-L353 VanDerWaalsContact CE2-O 3.27Å; F285-L353 WeakPolarHBondContact CE2-O 3.42Å; F285-L353 HydrophobicContact CZ-CB 3.74Å; M300-L353 HydrophobicContact CE-CD1 4.01Å; M300-L353 HydrophobicContact SD-CD1 3.63Å; M300-L353 HydrophobicContact SD-CD2 4.26Å; K303-L353 HydrophobicContact CB-CD1 4.2Å; K303-L353 HydrophobicContact CB-CG 4.44Å; W304-L353 PolarHBondContact O-N 3.15Å; L305-L353 HydrophobicContact CD2-CB 3.94Å; L305-L353 HydrophobicContact CD2-CD1 3.76Å; L305-L353 HydrophobicContact CD2-CG 4.33Å; L306-L353 PolarHBondContact N-O 2.95Å |
| 354 | R | 74.7 | Confident | 67.7 | Low | 143 Ų | 143 | 60.6 Ų | 60.6 | 54% | 0.54 | 33% | 0.33 | S | S | . | . | trans | -119.1 | 142.1 | -175.3 | -65.2 | 178.4 | -73.8 | -177.5 | -2 | 111 | L306 L352 | L306-R354 HydrophobicContact CD2-CG 4.28Å; L352-R354 HydrophobicContact CD2-CG 4.32Å; L352-R354 HydrophobicContact CG-CG 4.19Å | ||
| 355 | P | 69.1 | Low | 69.6 | Low | 21 Ų | 21 | 56.2 Ų | 56.2 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | trans | -66.6 | 148 | 174 | -10 | 24.7 | 0 | 0 | 0 | 110.8 | F285 G357 V358 | F285-P355 HydrophobicContact CD2-CG 3.73Å; F285-P355 HydrophobicContact CE2-CB 4.38Å; F285-P355 VanDerWaalsContact CE2-CD 3.44Å; F285-P355 HydrophobicContact CE2-CG 3.65Å; P355-G357 PolarHBondContact O-N 3.27Å; P355-V358 HydrophobicContact CB-CB 4.07Å; P355-V358 HydrophobicContact CB-CG2 3.92Å; P355-V358 HydrophobicContact CG-CB 3.98Å; P355-V358 HydrophobicContact CG-CG1 4.42Å; P355-V358 HydrophobicContact CG-CG2 4.04Å; P355-V358 PolarHBondContact O-N 3.39Å; P355-V358 VanDerWaalsContact O-N 3.13Å | ||
| 356 | A | 64 | Low | 71.6 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 88% | 0.884 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | V358 | A356-V358 VanDerWaalsContact C-N 3.28Å; A356-V358 PolarHBondContact O-N 2.73Å |
| 357 | G | 62.6 | Low | 73.5 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 79% | 0.794 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -14.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P355 Q359 | P355-G357 PolarHBondContact O-N 3.27Å; G357-Q359 PolarHBondContact O-N 2.86Å |
| 358 | V | 64.8 | Low | 75.3 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | trans | -94.9 | 100.1 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | L306 P313 P355 A356 | L306-V358 HydrophobicContact CD2-CG1 3.92Å; P313-V358 HydrophobicContact CB-CG2 4.19Å; P355-V358 HydrophobicContact CB-CB 4.07Å; P355-V358 HydrophobicContact CB-CG2 3.92Å; P355-V358 HydrophobicContact CG-CB 3.98Å; P355-V358 HydrophobicContact CG-CG1 4.42Å; P355-V358 HydrophobicContact CG-CG2 4.04Å; P355-V358 PolarHBondContact O-N 3.39Å; P355-V358 VanDerWaalsContact O-N 3.13Å; A356-V358 VanDerWaalsContact C-N 3.28Å; A356-V358 PolarHBondContact O-N 2.73Å | ||
| 359 | Q | 61.9 | Low | 77 | Confident | 169 Ų | 169 | 45.1 Ų | 45.1 | 79% | 0.79 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 135.6 | 171.3 | -66.3 | -174 | -4.1 | 0 | 0 | 109 | G357 R361 | G357-Q359 PolarHBondContact O-N 2.86Å; Q359-R361 PolarHBondContact O-N 2.92Å |
| 360 | L | 70 | Confident | 78.5 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 137.4 | 162.6 | -71.2 | 177.1 | 0 | 0 | 0 | 107.4 | L306 L352 P362 Q435 | L306-L360 HydrophobicContact CD1-CD2 3.76Å; L306-L360 HydrophobicContact CD2-CD2 3.68Å; L306-L360 HydrophobicContact CD2-CG 4.1Å; L306-L360 HydrophobicContact CG-CD2 4.4Å; L352-L360 HydrophobicContact CD2-CD1 3.59Å; L360-P362 WeakPolarHBondContact O-CD 3.37Å; L360-Q435 HydrophobicContact CB-CB 3.91Å; L360-Q435 HydrophobicContact CD1-CB 3.61Å; L360-Q435 HydrophobicContact CD1-CG 4.45Å; L360-Q435 HydrophobicContact CG-CB 4.41Å; L360-Q435 PolarHBondContact O-OE1 3.01Å |
| 361 | R | 73.7 | Confident | 80.2 | Confident | 114 Ų | 114 | 41 Ų | 41 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.5 | 179.4 | -168.1 | 165.3 | -177.9 | -171.1 | 7.3 | 107.3 | Q359 A363 F436 L532 L533 D534 | Q359-R361 PolarHBondContact O-N 2.92Å; R361-A363 PolarHBondContact O-N 3.41Å; R361-F436 PolarHBondContact N-O 3.21Å; R361-F436 PolarHBondContact O-N 3.47Å; R361-L532 HydrophobicContact CG-CB 4.46Å; R361-L533 WeakPolarHBondContact CG-O 3.24Å; R361-L533 PolarHBondContact NE-O 2.89Å; R361-D534 IonicContact CZ-OD1 2.82Å; R361-D534 IonicContact NE-OD1 2.81Å; R361-D534 IonicContact NH2-OD1 3.02Å; R361-D534 PolarHBondContact NH2-OD1 2.77Å |
| 362 | P | 78.8 | Confident | 81.4 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 13% | 0.13 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 132.5 | 168.1 | -21.3 | 32.4 | 0 | 0 | 0 | 108.3 | L360 L533 P536 | L360-P362 WeakPolarHBondContact O-CD 3.37Å; P362-L533 HydrophobicContact CB-CB 4.48Å; P362-L533 WeakPolarHBondContact O-CA 3.31Å; P362-L533 PolarHBondContact O-N 2.98Å; P362-P536 HydrophobicContact CB-CB 4.33Å |
| 363 | A | 84.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 163.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R361 N433 I434 F436 T530 E531 L532 | R361-A363 PolarHBondContact O-N 3.41Å; A363-N433 PolarHBondContact O-OD1 2.88Å; A363-I434 HydrophobicContact CB-CD1 4.37Å; A363-I434 HydrophobicContact CB-CG1 3.98Å; A363-I434 PolarHBondContact N-O 2.84Å; A363-I434 WeakPolarHBondContact O-CG1 3.48Å; A363-I434 PolarHBondContact O-N 3.38Å; A363-F436 HydrophobicContact CB-CB 3.55Å; A363-F436 HydrophobicContact CB-CG 4.41Å; A363-T530 HydrophobicContact CB-CG2 4.42Å; A363-E531 CarbonylContact C-O 3.55Å; A363-E531 WeakPolarHBondContact CA-O 3.23Å; A363-E531 WeakPolarHBondContact CB-O 3.5Å; A363-L532 HydrophobicContact CB-CD2 3.87Å |
| 364 | I | 89.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.7 | 173.6 | 52.3 | 174.7 | 0 | 0 | 0 | 109.2 | K366 T431 M432 N433 T530 E531 L533 | I364-K366 HydrophobicContact CD1-CD 4.32Å; I364-K366 HydrophobicContact CD1-CG 3.99Å; I364-K366 HydrophobicContact CG1-CG 4.37Å; I364-T431 HydrophobicContact CB-CG2 3.92Å; I364-T431 HydrophobicContact CD1-CG2 4Å; I364-T431 HydrophobicContact CG2-CG2 3.83Å; I364-M432 CarbonylContact C-O 3.52Å; I364-M432 VanDerWaalsContact CA-O 3.3Å; I364-M432 WeakPolarHBondContact CA-O 3.31Å; I364-N433 HydrophobicContact CG2-CB 4.46Å; I364-T530 WeakPolarHBondContact O-CA 3.2Å; I364-E531 HydrophobicContact CD1-CB 4.29Å; I364-E531 HydrophobicContact CG1-CB 3.86Å; I364-E531 PolarHBondContact N-O 3.25Å; I364-E531 PolarHBondContact O-N 3.41Å; I364-L533 HydrophobicContact CB-CD1 4.38Å; I364-L533 HydrophobicContact CD1-CD1 4.15Å; I364-L533 HydrophobicContact CD1-CD2 4.36Å; I364-L533 HydrophobicContact CG1-CD1 4.03Å; I364-L533 HydrophobicContact CG1-CD2 4.48Å; I364-L533 HydrophobicContact CG1-CG 4.29Å; I364-L533 HydrophobicContact CG2-CD1 3.61Å |
| 365 | F | 92.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 116.8 | 156 | -74.8 | -22.2 | 0 | 0 | 0 | 107.8 | I367 F408 T431 M432 I434 I466 P484 L528 T530 | F365-I367 HydrophobicContact CB-CD1 4.42Å; F365-I367 HydrophobicContact CB-CG1 4.32Å; F365-F408 HydrophobicContact CD2-CD1 4.26Å; F365-F408 HydrophobicContact CD2-CE1 4.28Å; F365-F408 AromaticContact CE2-CD1 3.85Å; F365-F408 HydrophobicContact CE2-CD1 3.85Å; F365-F408 HydrophobicContact CE2-CD2 4.4Å; F365-F408 AromaticContact CE2-CE1 3.49Å; F365-F408 HydrophobicContact CE2-CE1 3.49Å; F365-F408 VanDerWaalsContact CE2-CE1 3.49Å; F365-F408 HydrophobicContact CE2-CE2 4.09Å; F365-F408 HydrophobicContact CE2-CG 4.28Å; F365-F408 AromaticContact CE2-CZ 3.62Å; F365-F408 HydrophobicContact CE2-CZ 3.62Å; F365-F408 HydrophobicContact CZ-CE1 4.19Å; F365-F408 HydrophobicContact CZ-CZ 4.09Å; F365-T431 WeakPolarHBondContact O-CA 3.36Å; F365-M432 HydrophobicContact CB-CB 4.4Å; F365-M432 PolarHBondContact N-O 3.13Å; F365-M432 PolarHBondContact O-N 2.81Å; F365-I434 HydrophobicContact CD1-CD1 3.6Å; F365-I434 HydrophobicContact CD2-CD1 3.99Å; F365-I434 HydrophobicContact CD2-CG2 4.1Å; F365-I434 HydrophobicContact CE1-CD1 3.4Å; F365-I434 HydrophobicContact CE2-CD1 3.82Å; F365-I434 HydrophobicContact CE2-CG2 4.43Å; F365-I434 HydrophobicContact CG-CD1 3.9Å; F365-I434 HydrophobicContact CZ-CD1 3.52Å; F365-I466 HydrophobicContact CE2-CD1 4.14Å; F365-I466 HydrophobicContact CZ-CD1 3.9Å; F365-P484 HydrophobicContact CE1-CB 3.9Å; F365-P484 HydrophobicContact CE1-CG 4.1Å; F365-P484 HydrophobicContact CZ-CB 4.27Å; F365-P484 HydrophobicContact CZ-CG 4.38Å; F365-L528 HydrophobicContact CB-CD1 3.6Å; F365-L528 HydrophobicContact CD1-CD1 3.81Å; F365-L528 HydrophobicContact CD2-CD1 4.36Å; F365-L528 HydrophobicContact CG-CD1 3.69Å; F365-T530 HydrophobicContact CD1-CG2 4.21Å; F365-T530 WeakPolarHBondContact CD1-OG1 3.15Å; F365-T530 HydrophobicContact CE1-CG2 4.15Å; F365-T530 WeakPolarHBondContact CE1-OG1 3.26Å |
| 366 | K | 94.4 | Very high | 84.5 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 105.1 | 166.6 | -70.6 | -172.1 | -178 | 171.9 | 0 | 107.8 | I364 L368 L528 S529 E531 | I364-K366 HydrophobicContact CD1-CD 4.32Å; I364-K366 HydrophobicContact CD1-CG 3.99Å; I364-K366 HydrophobicContact CG1-CG 4.37Å; K366-L368 HydrophobicContact CB-CD1 4.29Å; K366-L528 WeakPolarHBondContact O-CA 3.13Å; K366-S529 PolarHBondContact N-O 2.83Å; K366-S529 PolarHBondContact O-N 3.11Å; K366-E531 WeakPolarHBondContact CD-OE1 3.37Å; K366-E531 VanDerWaalsContact CE-OE1 3.27Å; K366-E531 WeakPolarHBondContact CE-OE1 3.14Å; K366-E531 WeakPolarHBondContact CE-OE2 3.21Å; K366-E531 IonicContact NZ-OE1 2.79Å; K366-E531 PolarHBondContact NZ-OE1 3.32Å; K366-E531 IonicContact NZ-OE2 3.35Å; K366-E531 PolarHBondContact NZ-OE2 2.83Å |
| 367 | I | 95.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 109.7 | 179.4 | -61.6 | 165.7 | 0 | 0 | 0 | 107.6 | F365 L369 V406 I430 L443 F445 E527 L528 | F365-I367 HydrophobicContact CB-CD1 4.42Å; F365-I367 HydrophobicContact CB-CG1 4.32Å; I367-L369 PolarHBondContact O-N 2.66Å; I367-V406 HydrophobicContact CD1-CG1 3.6Å; I367-I430 HydrophobicContact CB-CB 4.24Å; I367-I430 PolarHBondContact N-O 3.02Å; I367-I430 PolarHBondContact O-N 3.42Å; I367-L443 HydrophobicContact CD1-CD1 4.44Å; I367-L443 HydrophobicContact CD1-CD2 4.41Å; I367-F445 HydrophobicContact CD1-CE1 4.29Å; I367-F445 HydrophobicContact CD1-CZ 4.41Å; I367-F445 HydrophobicContact CG2-CE1 3.96Å; I367-F445 HydrophobicContact CG2-CZ 4.49Å; I367-E527 CarbonylContact C-O 3.53Å; I367-E527 WeakPolarHBondContact CA-O 3.45Å; I367-L528 HydrophobicContact CD1-CD1 4.46Å; I367-L528 HydrophobicContact CG1-CD1 3.62Å |
| 368 | L | 96.3 | Very high | 86 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 100.5 | 175.3 | -63.5 | 67.7 | 0 | 0 | 0 | 106.9 | K366 Y370 L526 E527 L544 K548 | K366-L368 HydrophobicContact CB-CD1 4.29Å; L368-Y370 HydrophobicContact CB-CE2 3.84Å; L368-Y370 WeakPolarHBondContact CD2-OH 3.35Å; L368-Y370 WeakPolarHBondContact O-CD2 3.45Å; L368-Y370 PolarHBondContact O-N 3.36Å; L368-L526 VanDerWaalsContact O-CA 3.24Å; L368-L526 WeakPolarHBondContact O-CA 3.39Å; L368-L526 WeakPolarHBondContact O-CB 3.39Å; L368-E527 HydrophobicContact CB-CB 4.2Å; L368-E527 PolarHBondContact N-O 3.38Å; L368-E527 PolarHBondContact O-N 3.41Å; L368-L544 HydrophobicContact CB-CD1 4.25Å; L368-L544 HydrophobicContact CB-CD2 4.11Å; L368-L544 HydrophobicContact CD2-CD2 4.03Å; L368-L544 HydrophobicContact CG-CD2 3.79Å; L368-K548 HydrophobicContact CD2-CD 3.9Å |
| 369 | L | 96.4 | Very high | 86.1 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 103.3 | 176.6 | -179.5 | 64.9 | 0 | 0 | 0 | 108.7 | I367 A404 W426 N427 E428 I430 V524 | I367-L369 PolarHBondContact O-N 2.66Å; L369-A404 HydrophobicContact CD2-CB 3.68Å; L369-W426 HydrophobicContact CD1-CE3 4.16Å; L369-W426 HydrophobicContact CD1-CZ3 4.48Å; L369-W426 HydrophobicContact CD2-CB 4.07Å; L369-W426 HydrophobicContact CD2-CD2 3.77Å; L369-W426 HydrophobicContact CD2-CE3 3.94Å; L369-W426 HydrophobicContact CD2-CG 3.82Å; L369-W426 HydrophobicContact CG-CB 4.1Å; L369-W426 HydrophobicContact CG-CD2 4.14Å; L369-W426 HydrophobicContact CG-CE3 3.88Å; L369-W426 HydrophobicContact CG-CG 4.24Å; L369-N427 WeakPolarHBondContact O-CA 3.43Å; L369-N427 PolarHBondContact O-N 3.15Å; L369-N427 VanDerWaalsContact O-N 3.16Å; L369-E428 PolarHBondContact N-O 3.27Å; L369-E428 PolarHBondContact O-N 3.05Å; L369-I430 HydrophobicContact CB-CD1 4.49Å; L369-I430 HydrophobicContact CD2-CD1 4.25Å; L369-V524 HydrophobicContact CD1-CG2 3.47Å; L369-V524 VanDerWaalsContact CD1-CG2 3.47Å |
| 370 | Y | 95.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -71.4 | -177.5 | -66.9 | -77.7 | 0 | 0 | 0 | 111.1 | L368 W426 N427 L525 E527 L544 I552 | L368-Y370 HydrophobicContact CB-CE2 3.84Å; L368-Y370 WeakPolarHBondContact CD2-OH 3.35Å; L368-Y370 WeakPolarHBondContact O-CD2 3.45Å; L368-Y370 PolarHBondContact O-N 3.36Å; Y370-W426 PolarHBondContact O-N 3.43Å; Y370-N427 PolarHBondContact O-N 3.03Å; Y370-L525 HydrophobicContact CD2-CG 4.16Å; Y370-L525 PolarHBondContact N-O 3.44Å; Y370-E527 HydrophobicContact CE2-CB 3.97Å; Y370-E527 PolarHBondContact OH-OE2 2.77Å; Y370-E527 VanDerWaalsContact OH-OE2 3.04Å; Y370-L544 HydrophobicContact CD1-CD1 3.8Å; Y370-L544 HydrophobicContact CE1-CD1 3.7Å; Y370-I552 HydrophobicContact CD1-CD1 3.64Å; Y370-I552 HydrophobicContact CD1-CG1 4.08Å; Y370-I552 HydrophobicContact CD1-CG2 4.15Å; Y370-I552 HydrophobicContact CD2-CG2 4.33Å; Y370-I552 HydrophobicContact CE1-CB 4.5Å; Y370-I552 HydrophobicContact CE1-CD1 4.2Å; Y370-I552 HydrophobicContact CE1-CG1 4.14Å; Y370-I552 HydrophobicContact CE1-CG2 3.61Å; Y370-I552 HydrophobicContact CE2-CG2 3.81Å; Y370-I552 HydrophobicContact CG-CD1 3.88Å; Y370-I552 HydrophobicContact CG-CG2 4.47Å; Y370-I552 VanDerWaalsContact CZ-CG2 3.41Å |
| 371 | M | 95.5 | Very high | 85.1 | Confident | 24 Ų | 24 | 25.8 Ų | 25.8 | 12% | 0.118 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 161.6 | -172.1 | 63.7 | -175.1 | -64.5 | 0 | 0 | 111.6 | P424 E425 V524 L525 L556 | M371-P424 CarbonylContact C-O 3.55Å; M371-P424 WeakPolarHBondContact CA-O 3.41Å; M371-P424 WeakPolarHBondContact CB-O 3.2Å; M371-E425 HydrophobicContact CB-CG 4.11Å; M371-V524 WeakPolarHBondContact O-CG2 3.41Å; M371-L525 HydrophobicContact CG-CB 4.13Å; M371-L525 HydrophobicContact CG-CD2 4.41Å; M371-L525 PolarHBondContact O-N 2.92Å; M371-L556 HydrophobicContact SD-CD1 4.22Å; M371-L556 HydrophobicContact SD-CD2 4.01Å |
| 372 | A | 95.9 | Very high | 84 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 162.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L375 H423 P424 W426 R523 V524 | A372-L375 HydrophobicContact CB-CD1 4.18Å; A372-L375 HydrophobicContact CB-CD2 4.25Å; A372-L375 HydrophobicContact CB-CG 4.29Å; A372-H423 CarbonylContact O-C 3.58Å; A372-H423 VanDerWaalsContact O-CA 3.27Å; A372-H423 WeakPolarHBondContact O-CA 3.42Å; A372-P424 HydrophobicContact CB-CG 3.95Å; A372-P424 PolarHBondContact N-O 3.03Å; A372-P424 WeakPolarHBondContact O-CD 3.17Å; A372-W426 HydrophobicContact CB-CH2 3.99Å; A372-W426 HydrophobicContact CB-CZ3 3.61Å; A372-R523 CarbonylContact C-O 3.54Å; A372-R523 WeakPolarHBondContact CA-O 3.02Å; A372-R523 WeakPolarHBondContact CB-O 3.22Å; A372-V524 HydrophobicContact CB-CB 4.17Å; A372-V524 HydrophobicContact CB-CG2 4.38Å |
| 373 | E | 93.3 | Very high | 82.8 | Confident | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 161.9 | 176.1 | 58.7 | -175.2 | -140.4 | 0 | 0 | 111.7 | L375 H423 F490 G522 R523 R558 | E373-L375 PolarHBondContact O-N 2.97Å; E373-H423 WeakPolarHBondContact CA-ND1 3.49Å; E373-H423 WeakPolarHBondContact CB-ND1 3.23Å; E373-F490 HydrophobicContact CG-CE1 4.06Å; E373-G522 CarbonylContact O-C 3.38Å; E373-G522 WeakPolarHBondContact O-CA 3.31Å; E373-R523 HydrophobicContact CG-CG 3.56Å; E373-R523 PolarHBondContact N-O 3.49Å; E373-R523 PolarHBondContact O-N 2.81Å; E373-R523 IonicContact OE1-CZ 3.65Å; E373-R523 IonicContact OE1-NE 3.73Å; E373-R523 PolarHBondContact OE1-NE 3.1Å; E373-R523 IonicContact OE1-NH2 2.63Å; E373-R523 PolarHBondContact OE1-NH2 2.99Å; E373-R558 IonicContact OE1-CZ 3.64Å; E373-R558 IonicContact OE1-NH1 3.83Å; E373-R558 PolarHBondContact OE1-NH1 2.88Å; E373-R558 VanDerWaalsContact OE1-NH1 3.17Å; E373-R558 IonicContact OE1-NH2 2.84Å; E373-R558 PolarHBondContact OE1-NH2 3.34Å; E373-R558 IonicContact OE2-CZ 2.67Å; E373-R558 IonicContact OE2-NH2 3Å; E373-R558 PolarHBondContact OE2-NH2 3.2Å |
| 374 | D | 91.1 | Very high | 81.1 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | trans | 63.4 | 25.2 | 175.9 | -59.5 | -15.6 | 0 | 0 | 0 | 114.1 | D422 H423 R498 Y520 N589 | D374-D422 PolarHBondContact N-O 3.23Å; D374-H423 IonicContact OD1-CE1 3.73Å; D374-R498 PolarHBondContact O-NH2 3.41Å; D374-Y520 HydrophobicContact CB-CE1 3.65Å; D374-Y520 PolarHBondContact OD2-OH 3.16Å; D374-N589 WeakPolarHBondContact CB-ND2 3.36Å; D374-N589 PolarHBondContact OD1-ND2 3.13Å | ||
| 375 | L | 90.8 | Very high | 79.3 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 123.6 | -179.1 | -60.8 | -176.2 | 0 | 0 | 0 | 110.5 | A372 E373 V400 P402 D422 P424 I459 L493 | A372-L375 HydrophobicContact CB-CD1 4.18Å; A372-L375 HydrophobicContact CB-CD2 4.25Å; A372-L375 HydrophobicContact CB-CG 4.29Å; E373-L375 PolarHBondContact O-N 2.97Å; L375-V400 HydrophobicContact CB-CG2 3.93Å; L375-V400 HydrophobicContact CD1-CG2 4.46Å; L375-P402 HydrophobicContact CD1-CB 3.61Å; L375-P402 HydrophobicContact CD1-CG 3.85Å; L375-D422 HydrophobicContact CB-CB 4.49Å; L375-D422 WeakPolarHBondContact CB-O 3.39Å; L375-D422 PolarHBondContact N-O 2.99Å; L375-D422 VanDerWaalsContact N-O 3.17Å; L375-D422 VanDerWaalsContact O-CB 3.27Å; L375-D422 WeakPolarHBondContact O-CB 3.27Å; L375-P424 HydrophobicContact CD1-CG 3.68Å; L375-I459 HydrophobicContact CD2-CG2 4.3Å; L375-L493 HydrophobicContact CD2-CD1 4.08Å |
| 376 | P | 86.5 | Confident | 77.5 | Confident | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 151.8 | -178.2 | 24.3 | -28.6 | 0 | 0 | 0 | 112.3 | V400 I459 R521 | P376-V400 WeakPolarHBondContact O-CG1 3.44Å; P376-I459 HydrophobicContact CG-CG2 3.99Å; P376-R521 WeakPolarHBondContact CD-O 3.48Å; P376-R521 HydrophobicContact CG-CB 4.37Å; P376-R521 VanDerWaalsContact CG-CZ 3.46Å |
| 377 | R | 79.2 | Confident | 75.3 | Confident | 87 Ų | 87 | 35.1 Ų | 35.1 | 33% | 0.328 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -56.7 | 136.6 | 163.9 | -67.1 | 176.9 | 177.9 | -168.9 | -8.5 | 111 | E398 Y500 | R377-E398 WeakPolarHBondContact CD-O 3.2Å; R377-E398 WeakPolarHBondContact CG-O 3.23Å; R377-E398 PolarHBondContact NE-O 3.43Å; R377-E398 VanDerWaalsContact NH2-CB 3.32Å; R377-E398 VanDerWaalsContact NH2-CD 3.34Å; R377-E398 PolarHBondContact NH2-O 3.03Å; R377-E398 IonicContact NH2-OE1 3.1Å; R377-E398 PolarHBondContact NH2-OE1 3.34Å; R377-Y500 HydrophobicContact CB-CE1 4.33Å |
| 378 | M | 79.2 | Confident | 73.1 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 20% | 0.202 | 21% | 0.205 | C | C | . | . | trans | -103.1 | -28.5 | 176.3 | -61.3 | -55 | -66 | 0 | 0 | 113.6 | V400 D449 D457 P458 I459 R521 | M378-V400 HydrophobicContact CB-CG1 4.42Å; M378-V400 HydrophobicContact CG-CG1 3.89Å; M378-D449 HydrophobicContact CB-CB 4.06Å; M378-D449 WeakPolarHBondContact CB-OD2 3.37Å; M378-D449 HydrophobicContact CG-CB 3.73Å; M378-D457 HydrophobicContact CB-CB 4.12Å; M378-D457 HydrophobicContact CE-CB 3.74Å; M378-D457 HydrophobicContact CG-CB 4.33Å; M378-P458 WeakPolarHBondContact CE-O 3.37Å; M378-I459 HydrophobicContact CG-CG1 3.81Å; M378-I459 HydrophobicContact SD-CB 4.32Å; M378-I459 HydrophobicContact SD-CG1 4.02Å; M378-I459 HydrophobicContact SD-CG2 4.41Å; M378-R521 PolarHBondContact SD-NH2 2.88Å | ||
| 379 | D | 66.1 | Low | 70.9 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -80.2 | 135 | -179.2 | -81.3 | -40.7 | 0 | 0 | 0 | 113.4 | K387 | D379-K387 IonicContact OD1-NZ 2.74Å; D379-K387 PolarHBondContact OD1-NZ 2.92Å; D379-K387 IonicContact OD2-NZ 2.99Å; D379-K387 PolarHBondContact OD2-NZ 3.27Å |
| 380 | S | 58.1 | Low | 68.6 | Low | 22 Ų | 22 | 51.2 Ų | 51.2 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | trans | -81.7 | 152.3 | 171.9 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | A382 F383 K384 | S380-A382 VanDerWaalsContact C-N 3.3Å; S380-A382 PolarHBondContact O-N 2.91Å; S380-F383 PolarHBondContact O-N 3.45Å; S380-K384 PolarHBondContact O-N 3.05Å | ||
| 381 | D | 52.6 | Low | 66 | Low | 112 Ų | 112 | 52.8 Ų | 52.8 | 60% | 0.599 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.8 | -33.9 | -179.7 | -76.2 | -32.4 | 0 | 0 | 0 | 113.1 | K384 | D381-K384 WeakPolarHBondContact O-CB 3.15Å; D381-K384 PolarHBondContact O-N 2.96Å; D381-K384 IonicContact OD1-NZ 3.77Å |
| 382 | A | 52.5 | Low | 63.6 | Low | 48 Ų | 48 | 59.1 Ų | 59.1 | 40% | 0.397 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S380 K384 G385 D502 | S380-A382 VanDerWaalsContact C-N 3.3Å; S380-A382 PolarHBondContact O-N 2.91Å; A382-K384 VanDerWaalsContact C-N 3.27Å; A382-K384 PolarHBondContact O-N 3.43Å; A382-G385 PolarHBondContact O-N 2.89Å; A382-D502 HydrophobicContact CB-CB 4.32Å; A382-D502 WeakPolarHBondContact CB-OD1 3.38Å |
| 383 | F | 52.6 | Low | 60.9 | Low | 112 Ų | 112 | 61.9 Ų | 61.9 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.3 | -23.6 | 175 | -91.8 | -89.1 | 0 | 0 | 0 | 112.6 | S380 G385 I386 K387 | S380-F383 PolarHBondContact O-N 3.45Å; F383-G385 VanDerWaalsContact C-N 3.3Å; F383-G385 PolarHBondContact O-N 3.29Å; F383-I386 PolarHBondContact O-N 3.04Å; F383-K387 WeakPolarHBondContact O-CB 3.18Å; F383-K387 PolarHBondContact O-N 3.34Å |
| 384 | K | 49.8 | Very low | 58.5 | Low | 37 Ų | 37 | 69.5 Ų | 69.5 | 16% | 0.161 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55 | -44.3 | 169.7 | -131.4 | 178.8 | -166.3 | 174.6 | 0 | 111.9 | S380 D381 A382 I386 K387 N388 K397 | S380-K384 PolarHBondContact O-N 3.05Å; D381-K384 WeakPolarHBondContact O-CB 3.15Å; D381-K384 PolarHBondContact O-N 2.96Å; D381-K384 IonicContact OD1-NZ 3.77Å; A382-K384 VanDerWaalsContact C-N 3.27Å; A382-K384 PolarHBondContact O-N 3.43Å; K384-I386 PolarHBondContact O-N 3.5Å; K384-K387 PolarHBondContact O-N 3.41Å; K384-N388 WeakPolarHBondContact O-CB 3.34Å; K384-N388 PolarHBondContact O-N 3.09Å; K384-N388 PolarHBondContact O-OD1 3.18Å; K384-K397 WeakPolarHBondContact CE-O 3.44Å |
| 385 | G | 51.8 | Low | 56.3 | Low | 43 Ų | 43 | 76.7 Ų | 76.7 | 44% | 0.443 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A382 F383 L389 | A382-G385 PolarHBondContact O-N 2.89Å; F383-G385 VanDerWaalsContact C-N 3.3Å; F383-G385 PolarHBondContact O-N 3.29Å; G385-L389 WeakPolarHBondContact O-CB 3.25Å; G385-L389 PolarHBondContact O-N 2.71Å |
| 386 | I | 53.4 | Low | 54.3 | Low | 95 Ų | 95 | 83.1 Ų | 83.1 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.7 | -42.2 | 178.8 | -60.9 | 172.4 | 0 | 0 | 0 | 111 | F383 K384 L389 L390 | F383-I386 PolarHBondContact O-N 3.04Å; K384-I386 PolarHBondContact O-N 3.5Å; I386-L389 PolarHBondContact O-N 2.9Å; I386-L390 HydrophobicContact CG2-CD1 3.89Å; I386-L390 PolarHBondContact O-N 2.75Å |
| 387 | K | 48.7 | Very low | 52.8 | Low | 44 Ų | 44 | 85.8 Ų | 85.8 | 19% | 0.191 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62 | -49.7 | 174.5 | -82 | -175 | 178.3 | 174.6 | 0 | 110 | D379 F383 K384 L389 L390 T391 D451 | D379-K387 IonicContact OD1-NZ 2.74Å; D379-K387 PolarHBondContact OD1-NZ 2.92Å; D379-K387 IonicContact OD2-NZ 2.99Å; D379-K387 PolarHBondContact OD2-NZ 3.27Å; F383-K387 WeakPolarHBondContact O-CB 3.18Å; F383-K387 PolarHBondContact O-N 3.34Å; K384-K387 PolarHBondContact O-N 3.41Å; K387-L389 PolarHBondContact O-N 3.47Å; K387-L390 CarbonylContact O-C 3.55Å; K387-L390 PolarHBondContact O-N 3.28Å; K387-T391 PolarHBondContact O-N 3.19Å; K387-T391 PolarHBondContact O-OG1 3.3Å; K387-D451 IonicContact NZ-OD1 3.36Å; K387-D451 PolarHBondContact NZ-OD1 3.47Å; K387-D451 IonicContact NZ-OD2 3.19Å; K387-D451 PolarHBondContact NZ-OD2 3.06Å |
| 388 | N | 50.1 | Low | 51.8 | Low | 64 Ų | 64 | 84.1 Ų | 84.1 | 34% | 0.342 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.5 | -31.9 | 175.8 | -73.5 | 2.9 | 0 | 0 | 0 | 112.9 | K384 | K384-N388 WeakPolarHBondContact O-CB 3.34Å; K384-N388 PolarHBondContact O-N 3.09Å; K384-N388 PolarHBondContact O-OD1 3.18Å |
| 389 | L | 48.9 | Very low | 51.6 | Low | 160 Ų | 160 | 85.6 Ų | 85.6 | 84% | 0.838 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74.5 | -30.6 | 176.3 | -154.6 | 113.2 | 0 | 0 | 0 | 112.6 | G385 I386 K387 | G385-L389 WeakPolarHBondContact O-CB 3.25Å; G385-L389 PolarHBondContact O-N 2.71Å; I386-L389 PolarHBondContact O-N 2.9Å; K387-L389 PolarHBondContact O-N 3.47Å |
| 390 | L | 48.2 | Very low | 52.5 | Low | 121 Ų | 121 | 84 Ų | 84 | 63% | 0.634 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -87.1 | -21 | 178.3 | -77.9 | 160.6 | 0 | 0 | 0 | 113.1 | I386 K387 | I386-L390 HydrophobicContact CG2-CD1 3.89Å; I386-L390 PolarHBondContact O-N 2.75Å; K387-L390 CarbonylContact O-C 3.55Å; K387-L390 PolarHBondContact O-N 3.28Å |
| 391 | T | 41.2 | Very low | 53.9 | Low | 32 Ų | 32 | 83.3 Ų | 83.3 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -117 | 118.1 | 178.3 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | K387 S393 | K387-T391 PolarHBondContact O-N 3.19Å; K387-T391 PolarHBondContact O-OG1 3.3Å; T391-S393 PolarHBondContact O-N 2.75Å |
| 392 | T | 45.8 | Very low | 55.8 | Low | 158 Ų | 158 | 78 Ų | 78 | 97% | 0.969 | 42% | 0.416 | S | S | * | . | trans | -65.8 | 23.8 | 176.1 | 38 | 0 | 0 | 0 | 0 | 115 | ||||
| 393 | S | 38.9 | Very low | 57.9 | Low | 57 Ų | 57 | 76.7 Ų | 76.7 | 40% | 0.399 | 40% | 0.401 | S | S | . | . | trans | -101.5 | 113 | 172.2 | 50 | 0 | 0 | 0 | 0 | 109.5 | T391 E395 | T391-S393 PolarHBondContact O-N 2.75Å; S393-E395 PolarHBondContact O-N 3.41Å | ||
| 394 | D | 43.7 | Very low | 59.9 | Low | 166 Ų | 166 | 71.3 Ų | 71.3 | 89% | 0.888 | 38% | 0.378 | S | S | * | . | trans | -69.3 | 11.4 | 175 | -71.6 | -39.7 | 0 | 0 | 0 | 113.8 | E396 | D394-E396 PolarHBondContact O-N 2.94Š| ||
| 395 | E | 44.6 | Very low | 62 | Low | 164 Ų | 164 | 71.6 Ų | 71.6 | 77% | 0.766 | 38% | 0.381 | S | S | * | . | trans | -85.1 | 113.2 | -177.6 | -68.8 | -172.3 | 170.7 | 0 | 0 | 110.7 | S393 K397 | S393-E395 PolarHBondContact O-N 3.41Å; E395-K397 PolarHBondContact O-N 3.26Å | ||
| 396 | E | 47.5 | Very low | 63.9 | Low | 139 Ų | 139 | 69.6 Ų | 69.6 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | trans | -58.1 | 100.1 | 170.5 | -66.2 | 175.7 | 170.9 | 0 | 0 | 109.4 | D394 E398 | D394-E396 PolarHBondContact O-N 2.94Å; E396-E398 VanDerWaalsContact C-N 3.34Å; E396-E398 PolarHBondContact O-N 3.3Å | ||
| 397 | K | 55.2 | Low | 65.6 | Low | 66 Ų | 66 | 66.3 Ų | 66.3 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -65.3 | 92.6 | 176.8 | -137.9 | -169.9 | -177.8 | -152 | 0 | 109.2 | K384 E395 D401 D451 | K384-K397 WeakPolarHBondContact CE-O 3.44Å; E395-K397 PolarHBondContact O-N 3.26Å; K397-D401 WeakPolarHBondContact CE-OD2 3.46Å; K397-D401 IonicContact NZ-OD2 4Å; K397-D401 PolarHBondContact NZ-OD2 2.71Å; K397-D451 IonicContact NZ-OD1 3.39Å | ||
| 398 | E | 59.8 | Low | 67.3 | Low | 51 Ų | 51 | 64.3 Ų | 64.3 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | trans | -90.5 | -15.7 | -177.6 | -86.9 | -158.4 | 129.9 | 0 | 0 | 113.3 | R377 E396 K1115 | R377-E398 WeakPolarHBondContact CD-O 3.2Å; R377-E398 WeakPolarHBondContact CG-O 3.23Å; R377-E398 PolarHBondContact NE-O 3.43Å; R377-E398 VanDerWaalsContact NH2-CB 3.32Å; R377-E398 VanDerWaalsContact NH2-CD 3.34Å; R377-E398 PolarHBondContact NH2-O 3.03Å; R377-E398 IonicContact NH2-OE1 3.1Å; R377-E398 PolarHBondContact NH2-OE1 3.34Å; E396-E398 VanDerWaalsContact C-N 3.34Å; E396-E398 PolarHBondContact O-N 3.3Å; E398-K1115 IonicContact OE1-NZ 3.46Å; E398-K1115 IonicContact OE2-NZ 3.3Å; E398-K1115 PolarHBondContact OE2-NZ 2.66Å | ||
| 399 | F | 73.7 | Confident | 68.4 | Low | 72 Ų | 72 | 61.8 Ų | 61.8 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -133 | 162.8 | -172.9 | -60.4 | -74.3 | 0 | 0 | 0 | 110.7 | G420 D422 | F399-G420 VanDerWaalsContact CB-C 3.41Å; F399-D422 HydrophobicContact CD1-CB 4.07Å |
| 400 | V | 84.4 | Confident | 69.4 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | trans | -73.3 | 159.2 | 175.7 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | L375 P376 M378 P402 G420 T421 D449 I459 | L375-V400 HydrophobicContact CB-CG2 3.93Å; L375-V400 HydrophobicContact CD1-CG2 4.46Å; P376-V400 WeakPolarHBondContact O-CG1 3.44Å; M378-V400 HydrophobicContact CB-CG1 4.42Å; M378-V400 HydrophobicContact CG-CG1 3.89Å; V400-P402 HydrophobicContact CG2-CG 4.32Å; V400-P402 WeakPolarHBondContact O-CD 3.4Å; V400-G420 PolarHBondContact O-N 3.16Å; V400-T421 WeakPolarHBondContact CG2-O 3.33Å; V400-T421 PolarHBondContact O-N 3.35Å; V400-D449 HydrophobicContact CB-CB 4.42Å; V400-D449 HydrophobicContact CG1-CB 4.24Å; V400-I459 HydrophobicContact CB-CD1 4.29Å; V400-I459 HydrophobicContact CG1-CD1 4.33Å; V400-I459 HydrophobicContact CG2-CD1 4.41Å | ||
| 401 | D | 88.2 | Confident | 70.9 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | trans | -108.3 | 68 | 170.6 | -64 | -31 | 0 | 0 | 0 | 110.7 | K397 T417 K418 Y419 G420 D449 W450 | K397-D401 WeakPolarHBondContact CE-OD2 3.46Å; K397-D401 IonicContact NZ-OD2 4Å; K397-D401 PolarHBondContact NZ-OD2 2.71Å; D401-T417 HydrophobicContact CB-CG2 4.15Å; D401-T417 WeakPolarHBondContact O-CG2 3.42Å; D401-K418 CarbonylContact C-O 3.59Å; D401-K418 WeakPolarHBondContact CA-O 3.19Å; D401-Y419 HydrophobicContact CB-CD1 4.12Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.44Å; D401-G420 PolarHBondContact OD1-N 3.24Å; D401-D449 PolarHBondContact N-OD1 2.55Å; D401-W450 HydrophobicContact CB-CB 4.03Å; D401-W450 WeakPolarHBondContact O-CB 3.28Å; D401-W450 PolarHBondContact O-N 2.86Å | ||
| 402 | P | 93.5 | Very high | 73 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 141.7 | -165.2 | 29.1 | -38.3 | 0 | 0 | 0 | 113.3 | L375 V400 K418 T421 P424 W426 F448 I459 | L375-P402 HydrophobicContact CD1-CB 3.61Å; L375-P402 HydrophobicContact CD1-CG 3.85Å; V400-P402 HydrophobicContact CG2-CG 4.32Å; V400-P402 WeakPolarHBondContact O-CD 3.4Å; P402-K418 WeakPolarHBondContact CD-O 3.44Å; P402-K418 HydrophobicContact CG-CB 4.49Å; P402-K418 PolarHBondContact O-N 3.13Å; P402-T421 WeakPolarHBondContact CD-O 3.39Å; P402-P424 HydrophobicContact CB-CG 4.22Å; P402-P424 HydrophobicContact CG-CB 3.61Å; P402-P424 HydrophobicContact CG-CG 3.51Å; P402-W426 HydrophobicContact CB-CH2 4.33Å; P402-W426 HydrophobicContact CB-CZ2 4.03Å; P402-W426 HydrophobicContact CG-CZ2 4.31Å; P402-F448 VanDerWaalsContact CA-O 3.29Å; P402-F448 WeakPolarHBondContact CA-O 3.4Å; P402-I459 HydrophobicContact CB-CD1 4.17Å |
| 403 | Y | 95.1 | Very high | 75.2 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 8% | 0.078 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.2 | 159 | 69.9 | -89.9 | 0 | 0 | 0 | 110.7 | K414 F447 F448 W450 N456 | Y403-K414 HydrophobicContact CD2-CD 3.58Å; Y403-K414 VanDerWaalsContact CD2-CE 3.4Å; Y403-K414 HydrophobicContact CD2-CG 3.7Å; Y403-K414 HydrophobicContact CE2-CD 3.69Å; Y403-K414 HydrophobicContact CE2-CG 4.17Å; Y403-K414 HydrophobicContact CG-CD 4.2Å; Y403-K414 VanDerWaalsContact CG-CE 3.48Å; Y403-K414 HydrophobicContact CG-CG 4.43Å; Y403-F447 WeakPolarHBondContact O-CA 3.25Å; Y403-F448 HydrophobicContact CD1-CB 4.05Å; Y403-F448 HydrophobicContact CD2-CB 4.47Å; Y403-F448 HydrophobicContact CE1-CB 3.44Å; Y403-F448 VanDerWaalsContact CE1-CB 3.44Å; Y403-F448 HydrophobicContact CE1-CG 4.38Å; Y403-F448 HydrophobicContact CE2-CB 3.9Å; Y403-F448 AromaticContact CE2-CD2 3.87Å; Y403-F448 HydrophobicContact CE2-CD2 3.87Å; Y403-F448 HydrophobicContact CE2-CG 4.17Å; Y403-F448 AromaticContact CZ-CD2 3.97Å; Y403-F448 AromaticContact CZ-CG 3.79Å; Y403-F448 PolarHBondContact N-O 2.78Å; Y403-F448 PolarHBondContact O-N 2.96Å; Y403-F448 WeakPolarHBondContact OH-CB 3.47Å; Y403-W450 HydrophobicContact CD1-CB 4.04Å; Y403-W450 HydrophobicContact CE1-CB 4.17Å; Y403-N456 HydrophobicContact CE1-CB 4.27Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.49Å; Y403-N456 PolarHBondContact OH-ND2 3.48Å |
| 404 | A | 94.5 | Very high | 77.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L369 K414 S415 F447 | L369-A404 HydrophobicContact CD2-CB 3.68Å; A404-K414 WeakPolarHBondContact O-CA 3.28Å; A404-S415 PolarHBondContact N-OG 2.9Å; A404-S415 PolarHBondContact O-N 2.64Å; A404-F447 HydrophobicContact CB-CD1 3.99Å; A404-F447 HydrophobicContact CB-CE1 3.51Å; A404-F447 HydrophobicContact CB-CZ 3.95Å |
| 405 | L | 93.9 | Very high | 80.1 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 109.2 | 166.7 | -172.2 | 71.1 | 0 | 0 | 0 | 107.9 | K414 T446 F448 | L405-K414 HydrophobicContact CD1-CB 4.15Å; L405-T446 PolarHBondContact N-O 2.89Å; L405-T446 PolarHBondContact O-N 3.01Å; L405-F448 HydrophobicContact CB-CD2 4.23Å; L405-F448 HydrophobicContact CB-CE2 4.01Å; L405-F448 HydrophobicContact CD2-CE2 3.9Å |
| 406 | V | 93.1 | Very high | 82.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.2 | 175.8 | -174.1 | 0 | 0 | 0 | 0 | 108 | I367 S412 I413 I430 M432 L443 K444 F445 | I367-V406 HydrophobicContact CD1-CG1 3.6Å; V406-S412 CarbonylContact O-C 3.44Å; V406-S412 VanDerWaalsContact O-CA 3.22Å; V406-S412 WeakPolarHBondContact O-CA 3.35Å; V406-I413 PolarHBondContact N-O 2.69Å; V406-I413 PolarHBondContact O-N 2.85Å; V406-I430 HydrophobicContact CG2-CD1 3.78Å; V406-M432 HydrophobicContact CB-CE 4.06Å; V406-M432 HydrophobicContact CG1-CE 3.66Å; V406-L443 HydrophobicContact CG1-CD1 3.86Å; V406-K444 CarbonylContact C-O 3.52Å; V406-K444 WeakPolarHBondContact CA-O 2.91Å; V406-F445 HydrophobicContact CG1-CD1 4.26Å; V406-F445 HydrophobicContact CG1-CE1 3.9Å; V406-F445 HydrophobicContact CG1-CZ 4.5Å; V406-F445 HydrophobicContact CG2-CD1 3.85Å; V406-F445 HydrophobicContact CG2-CE1 3.93Å |
| 407 | S | 87.9 | Confident | 84.5 | Confident | 25 Ų | 25 | 31.8 Ų | 31.8 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.6 | -178.5 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | K411 S412 K444 | S407-K411 VanDerWaalsContact CA-O 3.27Å; S407-K411 WeakPolarHBondContact CA-O 3.48Å; S407-S412 WeakPolarHBondContact CB-OG 3.47Å; S407-S412 PolarHBondContact OG-OG 3.05Å; S407-K444 PolarHBondContact N-O 3.12Å; S407-K444 PolarHBondContact O-N 2.92Å |
| 408 | F | 84.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 134.7 | 179.4 | -172.8 | -111 | 0 | 0 | 0 | 110.3 | F365 G410 K411 M432 I434 S438 C440 L443 I466 | F365-F408 HydrophobicContact CD2-CD1 4.26Å; F365-F408 HydrophobicContact CD2-CE1 4.28Å; F365-F408 AromaticContact CE2-CD1 3.85Å; F365-F408 HydrophobicContact CE2-CD1 3.85Å; F365-F408 HydrophobicContact CE2-CD2 4.4Å; F365-F408 AromaticContact CE2-CE1 3.49Å; F365-F408 HydrophobicContact CE2-CE1 3.49Å; F365-F408 VanDerWaalsContact CE2-CE1 3.49Å; F365-F408 HydrophobicContact CE2-CE2 4.09Å; F365-F408 HydrophobicContact CE2-CG 4.28Å; F365-F408 AromaticContact CE2-CZ 3.62Å; F365-F408 HydrophobicContact CE2-CZ 3.62Å; F365-F408 HydrophobicContact CZ-CE1 4.19Å; F365-F408 HydrophobicContact CZ-CZ 4.09Å; F408-G410 VanDerWaalsContact C-N 3.28Å; F408-G410 PolarHBondContact O-N 3.08Å; F408-K411 PolarHBondContact N-O 3.15Å; F408-K411 WeakPolarHBondContact O-CB 3.32Å; F408-K411 PolarHBondContact O-N 2.95Å; F408-M432 HydrophobicContact CB-SD 3.71Å; F408-M432 HydrophobicContact CD1-SD 4.48Å; F408-I434 HydrophobicContact CD1-CG2 3.79Å; F408-I434 HydrophobicContact CE1-CB 4.49Å; F408-I434 HydrophobicContact CE1-CG2 3.9Å; F408-S438 WeakPolarHBondContact CE1-OG 3.4Å; F408-S438 WeakPolarHBondContact CZ-OG 3.45Å; F408-C440 HydrophobicContact CD2-CB 3.94Å; F408-C440 VanDerWaalsContact CD2-SG 3.58Å; F408-C440 HydrophobicContact CE1-CB 4.22Å; F408-C440 HydrophobicContact CE2-CB 3.53Å; F408-C440 WeakPolarHBondContact CE2-O 3.45Å; F408-C440 HydrophobicContact CG-CB 4.46Å; F408-C440 HydrophobicContact CZ-CB 3.68Å; F408-C440 WeakPolarHBondContact CZ-O 3.24Å; F408-L443 HydrophobicContact CB-CD1 3.66Å; F408-L443 HydrophobicContact CD2-CB 3.92Å; F408-L443 HydrophobicContact CD2-CD1 3.97Å; F408-L443 HydrophobicContact CE2-CB 4.35Å; F408-L443 HydrophobicContact CG-CD1 4.01Å; F408-I466 HydrophobicContact CE2-CD1 3.89Å; F408-I466 HydrophobicContact CE2-CG1 3.65Å; F408-I466 HydrophobicContact CZ-CD1 4.25Å; F408-I466 HydrophobicContact CZ-CG1 4.02Å |
| 409 | A | 73.6 | Confident | 87.4 | Confident | 10 Ų | 10 | 36 Ų | 36 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 46 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | K411 C440 | A409-K411 PolarHBondContact O-N 3.42Å; A409-K411 VanDerWaalsContact O-N 3.13Å; A409-C440 HydrophobicContact CB-CB 3.77Å; A409-C440 PolarHBondContact N-SG 2.97Å |
| 410 | G | 69.3 | Low | 87.9 | Confident | 68 Ų | 68 | 34.6 Ų | 34.6 | 70% | 0.701 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -13.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | F408 | F408-G410 VanDerWaalsContact C-N 3.28Å; F408-G410 PolarHBondContact O-N 3.08Å |
| 411 | K | 79.8 | Confident | 88 | Confident | 57 Ų | 57 | 36.3 Ų | 36.3 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 152.5 | 174.2 | -61.6 | -178.4 | -172.6 | 177.2 | 0 | 110.8 | S407 F408 A409 N433 | S407-K411 VanDerWaalsContact CA-O 3.27Å; S407-K411 WeakPolarHBondContact CA-O 3.48Å; F408-K411 PolarHBondContact N-O 3.15Å; F408-K411 WeakPolarHBondContact O-CB 3.32Å; F408-K411 PolarHBondContact O-N 2.95Å; A409-K411 PolarHBondContact O-N 3.42Å; A409-K411 VanDerWaalsContact O-N 3.13Å; K411-N433 PolarHBondContact NZ-O 2.82Å |
| 412 | S | 85.3 | Confident | 87.9 | Confident | 70 Ų | 70 | 37.3 Ų | 37.3 | 49% | 0.49 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 125.5 | 173.4 | -68.8 | 0 | 0 | 0 | 0 | 111.1 | V406 S407 | V406-S412 CarbonylContact O-C 3.44Å; V406-S412 VanDerWaalsContact O-CA 3.22Å; V406-S412 WeakPolarHBondContact O-CA 3.35Å; S407-S412 WeakPolarHBondContact CB-OG 3.47Å; S407-S412 PolarHBondContact OG-OG 3.05Å |
| 413 | I | 91.6 | Very high | 87.8 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 9% | 0.087 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.1 | 178.4 | -57.8 | 171.2 | 0 | 0 | 0 | 108.8 | V406 I430 M432 D539 V541 | V406-I413 PolarHBondContact N-O 2.69Å; V406-I413 PolarHBondContact O-N 2.85Å; I413-I430 HydrophobicContact CB-CG2 4.04Å; I413-I430 HydrophobicContact CD1-CG2 4.08Å; I413-I430 HydrophobicContact CG2-CG2 3.72Å; I413-M432 HydrophobicContact CB-CE 4.28Å; I413-M432 HydrophobicContact CD1-CB 3.71Å; I413-M432 HydrophobicContact CD1-CE 3.72Å; I413-M432 HydrophobicContact CD1-CG 3.8Å; I413-M432 HydrophobicContact CG1-CE 3.93Å; I413-D539 HydrophobicContact CD1-CB 3.78Å; I413-D539 HydrophobicContact CG1-CB 4.42Å; I413-V541 HydrophobicContact CG2-CG2 3.52Å |
| 414 | K | 92.7 | Very high | 87.8 | Confident | 87 Ų | 87 | 39.8 Ų | 39.8 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.6 | -178 | 166.3 | 169.3 | 175.8 | 171.8 | 0 | 110.8 | Y403 A404 L405 | Y403-K414 HydrophobicContact CD2-CD 3.58Å; Y403-K414 VanDerWaalsContact CD2-CE 3.4Å; Y403-K414 HydrophobicContact CD2-CG 3.7Å; Y403-K414 HydrophobicContact CE2-CD 3.69Å; Y403-K414 HydrophobicContact CE2-CG 4.17Å; Y403-K414 HydrophobicContact CG-CD 4.2Å; Y403-K414 VanDerWaalsContact CG-CE 3.48Å; Y403-K414 HydrophobicContact CG-CG 4.43Å; A404-K414 WeakPolarHBondContact O-CA 3.28Å; L405-K414 HydrophobicContact CD1-CB 4.15Å |
| 415 | S | 94.5 | Very high | 87.7 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 174 | 171.1 | 75.9 | 0 | 0 | 0 | 0 | 112.3 | A404 W426 E428 | A404-S415 PolarHBondContact N-OG 2.9Å; A404-S415 PolarHBondContact O-N 2.64Å; S415-W426 PolarHBondContact OG-NE1 2.83Å; S415-E428 WeakPolarHBondContact CB-OE2 3.23Å |
| 416 | S | 91.8 | Very high | 87.8 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -63 | 152.6 | 165.6 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | K418 W426 E428 | S416-K418 VanDerWaalsContact OG-CE 3.29Å; S416-K418 WeakPolarHBondContact OG-CE 3.4Å; S416-W426 VanDerWaalsContact O-CD1 3.26Å; S416-W426 PolarHBondContact O-NE1 2.79Å; S416-E428 WeakPolarHBondContact CB-OE1 3.38Å; S416-E428 PolarHBondContact N-OE2 3.13Å; S416-E428 VanDerWaalsContact OG-CD 3.23Å; S416-E428 PolarHBondContact OG-OE1 2.64Å; S416-E428 PolarHBondContact OG-OE2 2.86Å |
| 417 | T | 91.5 | Very high | 87.9 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 129.1 | 172.6 | -63.7 | 0 | 0 | 0 | 0 | 109.3 | D401 Y419 W450 | D401-T417 HydrophobicContact CB-CG2 4.15Å; D401-T417 WeakPolarHBondContact O-CG2 3.42Å; T417-Y419 HydrophobicContact CG2-CD1 4.18Å; T417-Y419 HydrophobicContact CG2-CE1 3.77Å; T417-Y419 HydrophobicContact CG2-CE2 4.38Å; T417-W450 HydrophobicContact CG2-CB 3.65Å; T417-W450 HydrophobicContact CG2-CG 4.09Å |
| 418 | K | 90.9 | Very high | 88.3 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 130.1 | 173.1 | -59.1 | -67.8 | 162.2 | 150.4 | 0 | 108 | D401 P402 S416 T421 P424 E425 W426 | D401-K418 CarbonylContact C-O 3.59Å; D401-K418 WeakPolarHBondContact CA-O 3.19Å; P402-K418 WeakPolarHBondContact CD-O 3.44Å; P402-K418 HydrophobicContact CG-CB 4.49Å; P402-K418 PolarHBondContact O-N 3.13Å; S416-K418 VanDerWaalsContact OG-CE 3.29Å; S416-K418 WeakPolarHBondContact OG-CE 3.4Å; K418-T421 HydrophobicContact CB-CG2 3.97Å; K418-P424 HydrophobicContact CB-CB 3.89Å; K418-P424 HydrophobicContact CG-CB 3.95Å; K418-E425 WeakPolarHBondContact CE-O 3.24Å; K418-E425 PolarHBondContact NZ-O 3.44Å; K418-W426 HydrophobicContact CG-CG 4.48Å; K418-W426 PolarHBondContact NZ-O 3.34Å |
| 419 | Y | 86.3 | Confident | 88.8 | Confident | 149 Ų | 149 | 45.4 Ų | 45.4 | 58% | 0.584 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -99.1 | 135.8 | -171.9 | -60.8 | -82.7 | 0 | 0 | 0 | 111.5 | D401 T417 W450 | D401-Y419 HydrophobicContact CB-CD1 4.12Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.44Å; T417-Y419 HydrophobicContact CG2-CD1 4.18Å; T417-Y419 HydrophobicContact CG2-CE1 3.77Å; T417-Y419 HydrophobicContact CG2-CE2 4.38Å; Y419-W450 HydrophobicContact CD1-CE3 4.29Å; Y419-W450 HydrophobicContact CD1-CZ3 4.46Å; Y419-W450 HydrophobicContact CE1-CD2 4.29Å; Y419-W450 AromaticContact CE1-CE3 3.6Å; Y419-W450 HydrophobicContact CE1-CE3 3.6Å; Y419-W450 AromaticContact CE1-CZ3 3.73Å; Y419-W450 HydrophobicContact CE1-CZ3 3.73Å |
| 420 | G | 83.1 | Confident | 89.9 | Confident | 42 Ų | 42 | 44.9 Ų | 44.9 | 43% | 0.433 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 64.1 | 42.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F399 V400 D401 | F399-G420 VanDerWaalsContact CB-C 3.41Å; V400-G420 PolarHBondContact O-N 3.16Å; D401-G420 PolarHBondContact OD1-N 3.24Å |
| 421 | T | 86.2 | Confident | 91 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | trans | -148.3 | 134.2 | 179.7 | -178.5 | 0 | 0 | 0 | 0 | 113 | V400 P402 K418 H423 P424 | V400-T421 WeakPolarHBondContact CG2-O 3.33Å; V400-T421 PolarHBondContact O-N 3.35Å; P402-T421 WeakPolarHBondContact CD-O 3.39Å; K418-T421 HydrophobicContact CB-CG2 3.97Å; T421-H423 VanDerWaalsContact OG1-C 3.31Å; T421-H423 PolarHBondContact OG1-N 3.27Å; T421-H423 VanDerWaalsContact OG1-N 3.12Å; T421-H423 PolarHBondContact OG1-O 2.81Å; T421-P424 HydrophobicContact CG2-CB 3.97Å | ||
| 422 | D | 86.1 | Confident | 91.5 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -87.6 | -9 | 169.4 | 54.4 | -12.4 | 0 | 0 | 0 | 113.6 | D374 L375 F399 P424 | D374-D422 PolarHBondContact N-O 3.23Å; L375-D422 HydrophobicContact CB-CB 4.49Å; L375-D422 WeakPolarHBondContact CB-O 3.39Å; L375-D422 PolarHBondContact N-O 2.99Å; L375-D422 VanDerWaalsContact N-O 3.17Å; L375-D422 VanDerWaalsContact O-CB 3.27Å; L375-D422 WeakPolarHBondContact O-CB 3.27Å; F399-D422 HydrophobicContact CD1-CB 4.07Å; D422-P424 WeakPolarHBondContact O-CD 3.44Å |
| 423 | H | 92.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 37.1 Ų | 37.1 | 33% | 0.329 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -121.8 | 64.9 | 174.3 | -60.3 | -85.7 | 0 | 0 | 0 | 110.7 | A372 E373 D374 T421 | A372-H423 CarbonylContact O-C 3.58Å; A372-H423 VanDerWaalsContact O-CA 3.27Å; A372-H423 WeakPolarHBondContact O-CA 3.42Å; E373-H423 WeakPolarHBondContact CA-ND1 3.49Å; E373-H423 WeakPolarHBondContact CB-ND1 3.23Å; D374-H423 IonicContact OD1-CE1 3.73Å; T421-H423 VanDerWaalsContact OG1-C 3.31Å; T421-H423 PolarHBondContact OG1-N 3.27Å; T421-H423 VanDerWaalsContact OG1-N 3.12Å; T421-H423 PolarHBondContact OG1-O 2.81Å |
| 424 | P | 94.3 | Very high | 91 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | trans | -68.8 | 134.1 | -176.8 | 29.7 | -38.5 | 0 | 0 | 0 | 112.6 | M371 A372 L375 P402 K418 T421 D422 W426 | M371-P424 CarbonylContact C-O 3.55Å; M371-P424 WeakPolarHBondContact CA-O 3.41Å; M371-P424 WeakPolarHBondContact CB-O 3.2Å; A372-P424 HydrophobicContact CB-CG 3.95Å; A372-P424 PolarHBondContact N-O 3.03Å; A372-P424 WeakPolarHBondContact O-CD 3.17Å; L375-P424 HydrophobicContact CD1-CG 3.68Å; P402-P424 HydrophobicContact CB-CG 4.22Å; P402-P424 HydrophobicContact CG-CB 3.61Å; P402-P424 HydrophobicContact CG-CG 3.51Å; K418-P424 HydrophobicContact CB-CB 3.89Å; K418-P424 HydrophobicContact CG-CB 3.95Å; T421-P424 HydrophobicContact CG2-CB 3.97Å; D422-P424 WeakPolarHBondContact O-CD 3.44Å; P424-W426 HydrophobicContact CB-CD2 4.47Å; P424-W426 HydrophobicContact CB-CE3 4.35Å; P424-W426 HydrophobicContact CB-CH2 3.78Å; P424-W426 HydrophobicContact CB-CZ2 3.89Å; P424-W426 HydrophobicContact CB-CZ3 4.03Å; P424-W426 HydrophobicContact CG-CE3 4.32Å; P424-W426 HydrophobicContact CG-CH2 3.23Å; P424-W426 HydrophobicContact CG-CZ2 3.81Å; P424-W426 HydrophobicContact CG-CZ3 3.54Å | ||
| 425 | E | 93.2 | Very high | 90.2 | Very high | 116 Ų | 116 | 34.1 Ų | 34.1 | 54% | 0.542 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 108.1 | 167.6 | -64.3 | -175.4 | -179.7 | 0 | 0 | 109.6 | M371 K418 | M371-E425 HydrophobicContact CB-CG 4.11Å; K418-E425 WeakPolarHBondContact CE-O 3.24Å; K418-E425 PolarHBondContact NZ-O 3.44Å |
| 426 | W | 95.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -53.8 | 174 | -70.9 | -83.2 | 0 | 0 | 0 | 110.7 | L369 Y370 A372 P402 S415 S416 K418 P424 E428 F447 | L369-W426 HydrophobicContact CD1-CE3 4.16Å; L369-W426 HydrophobicContact CD1-CZ3 4.48Å; L369-W426 HydrophobicContact CD2-CB 4.07Å; L369-W426 HydrophobicContact CD2-CD2 3.77Å; L369-W426 HydrophobicContact CD2-CE3 3.94Å; L369-W426 HydrophobicContact CD2-CG 3.82Å; L369-W426 HydrophobicContact CG-CB 4.1Å; L369-W426 HydrophobicContact CG-CD2 4.14Å; L369-W426 HydrophobicContact CG-CE3 3.88Å; L369-W426 HydrophobicContact CG-CG 4.24Å; Y370-W426 PolarHBondContact O-N 3.43Å; A372-W426 HydrophobicContact CB-CH2 3.99Å; A372-W426 HydrophobicContact CB-CZ3 3.61Å; P402-W426 HydrophobicContact CB-CH2 4.33Å; P402-W426 HydrophobicContact CB-CZ2 4.03Å; P402-W426 HydrophobicContact CG-CZ2 4.31Å; S415-W426 PolarHBondContact OG-NE1 2.83Å; S416-W426 VanDerWaalsContact O-CD1 3.26Å; S416-W426 PolarHBondContact O-NE1 2.79Å; K418-W426 HydrophobicContact CG-CG 4.48Å; K418-W426 PolarHBondContact NZ-O 3.34Å; P424-W426 HydrophobicContact CB-CD2 4.47Å; P424-W426 HydrophobicContact CB-CE3 4.35Å; P424-W426 HydrophobicContact CB-CH2 3.78Å; P424-W426 HydrophobicContact CB-CZ2 3.89Å; P424-W426 HydrophobicContact CB-CZ3 4.03Å; P424-W426 HydrophobicContact CG-CE3 4.32Å; P424-W426 HydrophobicContact CG-CH2 3.23Å; P424-W426 HydrophobicContact CG-CZ2 3.81Å; P424-W426 HydrophobicContact CG-CZ3 3.54Å; W426-E428 VanDerWaalsContact C-N 3.32Å; W426-E428 HydrophobicContact CB-CB 4.34Å; W426-E428 HydrophobicContact CB-CG 4.17Å; W426-F447 AromaticContact CH2-CD1 3.77Å; W426-F447 HydrophobicContact CH2-CD1 3.77Å; W426-F447 AromaticContact CH2-CE1 3.55Å; W426-F447 HydrophobicContact CH2-CE1 3.55Å; W426-F447 HydrophobicContact CZ2-CD1 4.32Å; W426-F447 HydrophobicContact CZ2-CE1 4.27Å; W426-F447 AromaticContact CZ3-CE1 3.92Å; W426-F447 HydrophobicContact CZ3-CE1 3.92Å |
| 427 | N | 95.5 | Very high | 88.1 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48 | 55 | -168.1 | -61.7 | -50.3 | 0 | 0 | 0 | 111 | L369 Y370 L544 V549 | L369-N427 WeakPolarHBondContact O-CA 3.43Å; L369-N427 PolarHBondContact O-N 3.15Å; L369-N427 VanDerWaalsContact O-N 3.16Å; Y370-N427 PolarHBondContact O-N 3.03Å; N427-L544 HydrophobicContact CB-CB 4.43Å; N427-L544 HydrophobicContact CB-CD1 4.35Å; N427-L544 WeakPolarHBondContact O-CB 3.42Å; N427-L544 PolarHBondContact O-N 2.59Å; N427-V549 HydrophobicContact CB-CG2 4.06Å |
| 428 | E | 97 | Very high | 87.1 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.8 | -177.2 | -70.1 | 179 | 163.1 | 0 | 0 | 111.4 | L369 S415 S416 W426 V541 K542 | L369-E428 PolarHBondContact N-O 3.27Å; L369-E428 PolarHBondContact O-N 3.05Å; S415-E428 WeakPolarHBondContact CB-OE2 3.23Å; S416-E428 WeakPolarHBondContact CB-OE1 3.38Å; S416-E428 PolarHBondContact N-OE2 3.13Å; S416-E428 VanDerWaalsContact OG-CD 3.23Å; S416-E428 PolarHBondContact OG-OE1 2.64Å; S416-E428 PolarHBondContact OG-OE2 2.86Å; W426-E428 VanDerWaalsContact C-N 3.32Å; W426-E428 HydrophobicContact CB-CB 4.34Å; W426-E428 HydrophobicContact CB-CG 4.17Å; E428-V541 HydrophobicContact CB-CG1 4.15Å; E428-V541 HydrophobicContact CG-CG1 4.39Å; E428-K542 CarbonylContact C-O 3.45Å; E428-K542 WeakPolarHBondContact CA-O 3.29Å |
| 429 | E | 95.4 | Very high | 85.9 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.2 | 167.8 | -168.2 | 174.7 | 118.6 | 0 | 0 | 107.9 | V541 K542 L544 K548 | E429-V541 WeakPolarHBondContact O-CA 3.17Å; E429-K542 HydrophobicContact CB-CG 3.99Å; E429-K542 PolarHBondContact N-O 3.13Å; E429-K542 PolarHBondContact O-N 3.03Å; E429-K542 WeakPolarHBondContact OE1-CE 3.16Å; E429-K542 IonicContact OE1-NZ 3.31Å; E429-K542 PolarHBondContact OE1-NZ 3.37Å; E429-K542 IonicContact OE2-NZ 3.95Å; E429-L544 HydrophobicContact CB-CD2 3.75Å; E429-L544 HydrophobicContact CG-CD2 4.46Å; E429-K548 IonicContact OE2-NZ 3.19Å; E429-K548 PolarHBondContact OE2-NZ 3.01Å |
| 430 | I | 95.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.4 | 172.1 | -59.8 | 174.4 | 0 | 0 | 0 | 107 | I367 L369 V406 I413 V541 | I367-I430 HydrophobicContact CB-CB 4.24Å; I367-I430 PolarHBondContact N-O 3.02Å; I367-I430 PolarHBondContact O-N 3.42Å; L369-I430 HydrophobicContact CB-CD1 4.49Å; L369-I430 HydrophobicContact CD2-CD1 4.25Å; V406-I430 HydrophobicContact CG2-CD1 3.78Å; I413-I430 HydrophobicContact CB-CG2 4.04Å; I413-I430 HydrophobicContact CD1-CG2 4.08Å; I413-I430 HydrophobicContact CG2-CG2 3.72Å; I430-V541 HydrophobicContact CG1-CG1 4.23Å; I430-V541 HydrophobicContact CG1-CG2 4.18Å |
| 431 | T | 93.1 | Very high | 84.9 | Confident | 10 Ų | 10 | 24 Ų | 24 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.2 | 173.4 | -57 | 0 | 0 | 0 | 0 | 108.4 | I364 F365 D539 L540 | I364-T431 HydrophobicContact CB-CG2 3.92Å; I364-T431 HydrophobicContact CD1-CG2 4Å; I364-T431 HydrophobicContact CG2-CG2 3.83Å; F365-T431 WeakPolarHBondContact O-CA 3.36Å; T431-D539 WeakPolarHBondContact O-CA 3.25Å; T431-L540 PolarHBondContact N-O 2.79Å; T431-L540 PolarHBondContact O-N 3.3Å; T431-L540 VanDerWaalsContact O-N 3.12Å |
| 432 | M | 90.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.4 | 176.8 | -173.9 | 178.3 | -69.4 | 0 | 0 | 109.6 | I364 F365 V406 F408 I413 I434 | I364-M432 CarbonylContact C-O 3.52Å; I364-M432 VanDerWaalsContact CA-O 3.3Å; I364-M432 WeakPolarHBondContact CA-O 3.31Å; F365-M432 HydrophobicContact CB-CB 4.4Å; F365-M432 PolarHBondContact N-O 3.13Å; F365-M432 PolarHBondContact O-N 2.81Å; V406-M432 HydrophobicContact CB-CE 4.06Å; V406-M432 HydrophobicContact CG1-CE 3.66Å; F408-M432 HydrophobicContact CB-SD 3.71Å; F408-M432 HydrophobicContact CD1-SD 4.48Å; I413-M432 HydrophobicContact CB-CE 4.28Å; I413-M432 HydrophobicContact CD1-CB 3.71Å; I413-M432 HydrophobicContact CD1-CE 3.72Å; I413-M432 HydrophobicContact CD1-CG 3.8Å; I413-M432 HydrophobicContact CG1-CE 3.93Å; M432-I434 HydrophobicContact CG-CG2 4.22Å |
| 433 | N | 84.9 | Confident | 85 | Confident | 21 Ų | 21 | 25.8 Ų | 25.8 | 11% | 0.112 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.4 | 174.8 | -178.5 | 12.7 | 0 | 0 | 0 | 110.4 | A363 I364 K411 P536 T537 D539 | A363-N433 PolarHBondContact O-OD1 2.88Å; I364-N433 HydrophobicContact CG2-CB 4.46Å; K411-N433 PolarHBondContact NZ-O 2.82Å; N433-P536 WeakPolarHBondContact ND2-CB 3.08Å; N433-T537 WeakPolarHBondContact CB-O 3.38Å; N433-T537 VanDerWaalsContact CG-O 3.3Å; N433-T537 PolarHBondContact ND2-O 2.85Å; N433-D539 WeakPolarHBondContact CB-OD1 3.44Å; N433-D539 PolarHBondContact N-OD1 2.9Å |
| 434 | I | 82 | Confident | 85 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 163.2 | -179.5 | 63.3 | 164.6 | 0 | 0 | 0 | 109.6 | A363 F365 F408 M432 F436 | A363-I434 HydrophobicContact CB-CD1 4.37Å; A363-I434 HydrophobicContact CB-CG1 3.98Å; A363-I434 PolarHBondContact N-O 2.84Å; A363-I434 WeakPolarHBondContact O-CG1 3.48Å; A363-I434 PolarHBondContact O-N 3.38Å; F365-I434 HydrophobicContact CD1-CD1 3.6Å; F365-I434 HydrophobicContact CD2-CD1 3.99Å; F365-I434 HydrophobicContact CD2-CG2 4.1Å; F365-I434 HydrophobicContact CE1-CD1 3.4Å; F365-I434 HydrophobicContact CE2-CD1 3.82Å; F365-I434 HydrophobicContact CE2-CG2 4.43Å; F365-I434 HydrophobicContact CG-CD1 3.9Å; F365-I434 HydrophobicContact CZ-CD1 3.52Å; F408-I434 HydrophobicContact CD1-CG2 3.79Å; F408-I434 HydrophobicContact CE1-CB 4.49Å; F408-I434 HydrophobicContact CE1-CG2 3.9Å; M432-I434 HydrophobicContact CG-CG2 4.22Å; I434-F436 HydrophobicContact CD1-CD2 4.47Å |
| 435 | Q | 76.6 | Confident | 85 | Confident | 40 Ų | 40 | 23.6 Ų | 23.6 | 19% | 0.187 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.9 | 164.2 | -60.3 | -64.7 | -61.6 | 0 | 0 | 108.5 | L360 P437 S438 | L360-Q435 HydrophobicContact CB-CB 3.91Å; L360-Q435 HydrophobicContact CD1-CB 3.61Å; L360-Q435 HydrophobicContact CD1-CG 4.45Å; L360-Q435 HydrophobicContact CG-CB 4.41Å; L360-Q435 PolarHBondContact O-OE1 3.01Å; Q435-P437 CarbonylContact C-O 3.56Å; Q435-P437 CarbonylContact O-C 3.56Å; Q435-S438 WeakPolarHBondContact O-CA 3.48Å; Q435-S438 PolarHBondContact O-N 2.8Å |
| 436 | F | 72.7 | Confident | 85 | Confident | 34 Ų | 34 | 18.3 Ų | 18.3 | 15% | 0.149 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.6 | -178.6 | -166 | -90.7 | 0 | 0 | 0 | 113.1 | R361 A363 I434 L483 P484 T530 L532 | R361-F436 PolarHBondContact N-O 3.21Å; R361-F436 PolarHBondContact O-N 3.47Å; A363-F436 HydrophobicContact CB-CB 3.55Å; A363-F436 HydrophobicContact CB-CG 4.41Å; I434-F436 HydrophobicContact CD1-CD2 4.47Å; F436-L483 HydrophobicContact CD1-CD2 4.18Å; F436-L483 HydrophobicContact CE1-CD2 3.4Å; F436-L483 HydrophobicContact CE2-CD2 4.29Å; F436-L483 HydrophobicContact CZ-CD2 3.47Å; F436-L483 VanDerWaalsContact CZ-CD2 3.47Å; F436-P484 VanDerWaalsContact CE2-CD 3.44Å; F436-P484 HydrophobicContact CE2-CG 3.77Å; F436-P484 HydrophobicContact CZ-CG 4.48Å; F436-T530 HydrophobicContact CD2-CG2 4.27Å; F436-L532 HydrophobicContact CB-CD2 3.92Å; F436-L532 HydrophobicContact CD1-CD2 3.69Å; F436-L532 HydrophobicContact CE1-CD2 4.5Å; F436-L532 HydrophobicContact CG-CD2 3.84Å |
| 437 | P | 69.8 | Low | 85 | Confident | 12 Ų | 12 | 18 Ų | 18 | 8% | 0.078 | 9% | 0.087 | C | C | . | . | S | Bend | cis | -60.1 | 156.1 | -9 | 12.9 | -11.8 | 0 | 0 | 0 | 111.7 | A317 Y320 Q435 F472 | A317-P437 HydrophobicContact CB-CG 3.55Å; Y320-P437 HydrophobicContact CE2-CB 4.12Å; Y320-P437 HydrophobicContact CE2-CG 4.19Å; Y320-P437 WeakPolarHBondContact OH-CB 3.47Å; Y320-P437 VanDerWaalsContact OH-CG 3.25Å; Y320-P437 WeakPolarHBondContact OH-CG 3.34Å; Y320-P437 PolarHBondContact OH-O 2.92Å; Q435-P437 CarbonylContact C-O 3.56Å; Q435-P437 CarbonylContact O-C 3.56Å; P437-F472 HydrophobicContact CB-CZ 4.31Å; P437-F472 HydrophobicContact CG-CE1 4.47Å |
| 438 | S | 69 | Low | 84.9 | Confident | 6 Ų | 6 | 17.5 Ų | 17.5 | 4% | 0.042 | 8% | 0.084 | C | C | . | . | trans | -101.4 | 133.9 | 178 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | Q214 F408 Q435 C440 | Q214-S438 PolarHBondContact NE2-O 3.13Å; Q214-S438 PolarHBondContact OE1-O 3.47Å; F408-S438 WeakPolarHBondContact CE1-OG 3.4Å; F408-S438 WeakPolarHBondContact CZ-OG 3.45Å; Q435-S438 WeakPolarHBondContact O-CA 3.48Å; Q435-S438 PolarHBondContact O-N 2.8Å; S438-C440 VanDerWaalsContact C-N 3.3Å; S438-C440 PolarHBondContact O-N 3.3Å; S438-C440 PolarHBondContact OG-N 3.22Å | ||
| 439 | M | 66.7 | Low | 84.5 | Confident | 7 Ų | 7 | 16.5 Ų | 16.5 | 3% | 0.034 | 8% | 0.079 | C | C | . | . | trans | -75.8 | -16.6 | 177.4 | -71.1 | -144.9 | -59.7 | 0 | 0 | 114.5 | W304 Y320 I348 L352 E441 | W304-M439 HydrophobicContact CB-CE 3.22Å; W304-M439 HydrophobicContact CB-SD 3.52Å; W304-M439 VanDerWaalsContact CB-SD 3.52Å; W304-M439 VanDerWaalsContact CD1-CE 3.45Å; W304-M439 HydrophobicContact CD2-CE 3.77Å; W304-M439 HydrophobicContact CD2-SD 3.58Å; W304-M439 VanDerWaalsContact CD2-SD 3.58Å; W304-M439 HydrophobicContact CE3-CE 4.49Å; W304-M439 HydrophobicContact CE3-SD 3.71Å; W304-M439 HydrophobicContact CG-CE 3.17Å; W304-M439 HydrophobicContact CG-SD 3.54Å; W304-M439 VanDerWaalsContact CG-SD 3.54Å; Y320-M439 VanDerWaalsContact CB-SD 3.59Å; Y320-M439 HydrophobicContact CD1-CG 3.22Å; Y320-M439 HydrophobicContact CD1-SD 3.04Å; Y320-M439 WeakPolarHBondContact CD1-SD 3.41Å; Y320-M439 HydrophobicContact CD2-CG 3.73Å; Y320-M439 HydrophobicContact CD2-SD 4.2Å; Y320-M439 HydrophobicContact CE1-CG 3.16Å; Y320-M439 HydrophobicContact CE1-SD 3.61Å; Y320-M439 HydrophobicContact CE2-CG 3.78Å; Y320-M439 HydrophobicContact CG-CG 3.45Å; Y320-M439 VanDerWaalsContact CG-CG 3.45Å; Y320-M439 HydrophobicContact CG-SD 3.34Å; Y320-M439 VanDerWaalsContact CZ-CG 3.5Å; I348-M439 HydrophobicContact CG2-CB 3.42Å; I348-M439 VanDerWaalsContact CG2-CB 3.42Å; I348-M439 HydrophobicContact CG2-CE 3.35Å; I348-M439 HydrophobicContact CG2-CG 4.34Å; L352-M439 HydrophobicContact CB-CE 4.08Å; L352-M439 HydrophobicContact CD1-CE 3.91Å; L352-M439 HydrophobicContact CD1-SD 3.93Å; L352-M439 HydrophobicContact CG-CE 4.4Å; M439-E441 PolarHBondContact O-N 2.83Å | ||
| 440 | C | 72 | Confident | 84.1 | Confident | 13 Ų | 13 | 19.5 Ų | 19.5 | 9% | 0.088 | 9% | 0.09 | C | C | . | . | trans | -74.2 | 119.6 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 109 | I348 F408 A409 S438 K442 I466 | I348-C440 HydrophobicContact CD1-CB 4.05Å; F408-C440 HydrophobicContact CD2-CB 3.94Å; F408-C440 VanDerWaalsContact CD2-SG 3.58Å; F408-C440 HydrophobicContact CE1-CB 4.22Å; F408-C440 HydrophobicContact CE2-CB 3.53Å; F408-C440 WeakPolarHBondContact CE2-O 3.45Å; F408-C440 HydrophobicContact CG-CB 4.46Å; F408-C440 HydrophobicContact CZ-CB 3.68Å; F408-C440 WeakPolarHBondContact CZ-O 3.24Å; A409-C440 HydrophobicContact CB-CB 3.77Å; A409-C440 PolarHBondContact N-SG 2.97Å; S438-C440 VanDerWaalsContact C-N 3.3Å; S438-C440 PolarHBondContact O-N 3.3Å; S438-C440 PolarHBondContact OG-N 3.22Å; C440-K442 PolarHBondContact SG-O 2.81Å; C440-K442 VanDerWaalsContact SG-O 3.37Å; C440-I466 WeakPolarHBondContact O-CG1 3.33Å | ||
| 441 | E | 76.2 | Confident | 83.2 | Confident | 30 Ų | 30 | 20.2 Ų | 20.2 | 14% | 0.14 | 9% | 0.094 | C | C | . | . | trans | -81.6 | -26.3 | -178.2 | -178.1 | 51.6 | -147.4 | 0 | 0 | 112.4 | M439 S465 I466 S467 | M439-E441 PolarHBondContact O-N 2.83Å; E441-S465 CarbonylContact O-C 3.56Å; E441-S465 VanDerWaalsContact O-CA 3.28Å; E441-S465 WeakPolarHBondContact O-CA 3.15Å; E441-S465 WeakPolarHBondContact OE1-CB 3.17Å; E441-S465 PolarHBondContact OE1-OG 3.16Å; E441-I466 PolarHBondContact O-N 3.25Å; E441-I466 PolarHBondContact OE1-N 2.79Å; E441-S467 WeakPolarHBondContact OE1-CB 3.37Å; E441-S467 PolarHBondContact OE1-N 3.13Å; E441-S467 PolarHBondContact OE1-OG 2.98Å; E441-S467 PolarHBondContact OE2-N 3.33Å | ||
| 442 | K | 85.4 | Confident | 82 | Confident | 105 Ų | 105 | 28.7 Ų | 28.7 | 46% | 0.457 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112 | -171.9 | -66.9 | -179.3 | -178.4 | 174.6 | 0 | 111.5 | C440 V463 | C440-K442 PolarHBondContact SG-O 2.81Å; C440-K442 VanDerWaalsContact SG-O 3.37Å; K442-V463 HydrophobicContact CB-CG1 3.77Å; K442-V463 HydrophobicContact CD-CG1 4.22Å; K442-V463 HydrophobicContact CG-CG1 3.88Å |
| 443 | L | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 115 | 165.9 | 177 | 61.6 | 0 | 0 | 0 | 108.8 | I367 V406 F408 F445 V463 I464 I466 L528 | I367-L443 HydrophobicContact CD1-CD1 4.44Å; I367-L443 HydrophobicContact CD1-CD2 4.41Å; V406-L443 HydrophobicContact CG1-CD1 3.86Å; F408-L443 HydrophobicContact CB-CD1 3.66Å; F408-L443 HydrophobicContact CD2-CB 3.92Å; F408-L443 HydrophobicContact CD2-CD1 3.97Å; F408-L443 HydrophobicContact CE2-CB 4.35Å; F408-L443 HydrophobicContact CG-CD1 4.01Å; L443-F445 HydrophobicContact CD1-CZ 4.4Å; L443-F445 HydrophobicContact CD2-CE2 3.93Å; L443-F445 HydrophobicContact CD2-CZ 3.69Å; L443-F445 HydrophobicContact CG-CE2 3.68Å; L443-F445 HydrophobicContact CG-CZ 3.74Å; L443-V463 WeakPolarHBondContact O-CA 3.44Å; L443-I464 HydrophobicContact CB-CB 4.43Å; L443-I464 PolarHBondContact N-O 3.29Å; L443-I464 PolarHBondContact O-N 2.87Å; L443-I466 HydrophobicContact CB-CD1 4.08Å; L443-L528 HydrophobicContact CD2-CD2 3.84Å |
| 444 | K | 91.2 | Very high | 79.5 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 11% | 0.109 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.7 | -168.5 | -172.5 | 176 | -170.3 | 165.9 | 0 | 111.3 | E344 V406 S407 T461 V463 L512 | E344-K444 IonicContact OE1-NZ 2.7Å; E344-K444 PolarHBondContact OE1-NZ 2.95Å; E344-K444 IonicContact OE2-NZ 3.64Å; E344-K444 PolarHBondContact OE2-NZ 2.58Å; V406-K444 CarbonylContact C-O 3.52Å; V406-K444 WeakPolarHBondContact CA-O 2.91Å; S407-K444 PolarHBondContact N-O 3.12Å; S407-K444 PolarHBondContact O-N 2.92Å; K444-T461 HydrophobicContact CD-CG2 4.23Å; K444-T461 HydrophobicContact CG-CG2 3.67Å; K444-V463 HydrophobicContact CG-CG2 4.28Å; K444-L512 WeakPolarHBondContact CE-O 3.45Å; K444-L512 PolarHBondContact NZ-O 2.87Å |
| 445 | F | 94.2 | Very high | 78.8 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 102.9 | 176.2 | -59.6 | -88.7 | 0 | 0 | 0 | 108.3 | I367 V406 L443 F447 T461 G462 I464 I491 L526 | I367-F445 HydrophobicContact CD1-CE1 4.29Å; I367-F445 HydrophobicContact CD1-CZ 4.41Å; I367-F445 HydrophobicContact CG2-CE1 3.96Å; I367-F445 HydrophobicContact CG2-CZ 4.49Å; V406-F445 HydrophobicContact CG1-CD1 4.26Å; V406-F445 HydrophobicContact CG1-CE1 3.9Å; V406-F445 HydrophobicContact CG1-CZ 4.5Å; V406-F445 HydrophobicContact CG2-CD1 3.85Å; V406-F445 HydrophobicContact CG2-CE1 3.93Å; L443-F445 HydrophobicContact CD1-CZ 4.4Å; L443-F445 HydrophobicContact CD2-CE2 3.93Å; L443-F445 HydrophobicContact CD2-CZ 3.69Å; L443-F445 HydrophobicContact CG-CE2 3.68Å; L443-F445 HydrophobicContact CG-CZ 3.74Å; F445-F447 HydrophobicContact CB-CE2 3.96Å; F445-T461 CarbonylContact O-C 3.55Å; F445-T461 VanDerWaalsContact O-CA 3.31Å; F445-T461 WeakPolarHBondContact O-CA 3.42Å; F445-G462 PolarHBondContact N-O 2.97Å; F445-G462 PolarHBondContact O-N 2.68Å; F445-I464 HydrophobicContact CD2-CG1 4.49Å; F445-I464 HydrophobicContact CE2-CD1 3.59Å; F445-I464 HydrophobicContact CE2-CG1 3.87Å; F445-I464 HydrophobicContact CZ-CD1 4.18Å; F445-I491 HydrophobicContact CD2-CD1 4.49Å; F445-I491 HydrophobicContact CE2-CD1 4.46Å; F445-L526 HydrophobicContact CD1-CD2 3.81Å; F445-L526 HydrophobicContact CD2-CD2 4.32Å; F445-L526 HydrophobicContact CE1-CD2 3.61Å; F445-L526 HydrophobicContact CE2-CD2 4.13Å; F445-L526 HydrophobicContact CG-CD2 4.17Å; F445-L526 HydrophobicContact CZ-CD1 4.4Å; F445-L526 HydrophobicContact CZ-CD2 3.76Å |
| 446 | T | 93.7 | Very high | 79.1 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.5 | 178.8 | -48.2 | 0 | 0 | 0 | 0 | 109.3 | L405 F448 L512 | L405-T446 PolarHBondContact N-O 2.89Å; L405-T446 PolarHBondContact O-N 3.01Å; T446-F448 HydrophobicContact CG2-CD2 4.04Å; T446-F448 HydrophobicContact CG2-CE1 4.49Å; T446-F448 HydrophobicContact CG2-CE2 3.33Å; T446-F448 HydrophobicContact CG2-CZ 3.6Å; T446-L512 HydrophobicContact CG2-CD2 4.27Å |
| 447 | F | 94.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.1 | 178.5 | -67.1 | -95.5 | 0 | 0 | 0 | 109.9 | Y403 A404 W426 F445 I459 G460 L493 V524 | Y403-F447 WeakPolarHBondContact O-CA 3.25Å; A404-F447 HydrophobicContact CB-CD1 3.99Å; A404-F447 HydrophobicContact CB-CE1 3.51Å; A404-F447 HydrophobicContact CB-CZ 3.95Å; W426-F447 AromaticContact CH2-CD1 3.77Å; W426-F447 HydrophobicContact CH2-CD1 3.77Å; W426-F447 AromaticContact CH2-CE1 3.55Å; W426-F447 HydrophobicContact CH2-CE1 3.55Å; W426-F447 HydrophobicContact CZ2-CD1 4.32Å; W426-F447 HydrophobicContact CZ2-CE1 4.27Å; W426-F447 AromaticContact CZ3-CE1 3.92Å; W426-F447 HydrophobicContact CZ3-CE1 3.92Å; F445-F447 HydrophobicContact CB-CE2 3.96Å; F447-I459 HydrophobicContact CB-CB 4.26Å; F447-I459 PolarHBondContact O-N 2.87Å; F447-G460 PolarHBondContact N-O 3.09Å; F447-L493 HydrophobicContact CD2-CD1 3.55Å; F447-L493 HydrophobicContact CD2-CD2 3.97Å; F447-L493 HydrophobicContact CD2-CG 4.44Å; F447-L493 HydrophobicContact CE2-CD1 3.97Å; F447-L493 HydrophobicContact CE2-CD2 3.95Å; F447-L493 HydrophobicContact CG-CD1 4.12Å; F447-V524 HydrophobicContact CE1-CB 4.48Å; F447-V524 HydrophobicContact CE1-CG2 4.26Å; F447-V524 HydrophobicContact CE2-CB 4.18Å; F447-V524 HydrophobicContact CE2-CG1 3.9Å; F447-V524 HydrophobicContact CZ-CB 3.75Å; F447-V524 HydrophobicContact CZ-CG1 3.85Å; F447-V524 HydrophobicContact CZ-CG2 3.68Å |
| 448 | F | 92.6 | Very high | 80.6 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.5 | -177.2 | -72.5 | -89.1 | 0 | 0 | 0 | 110.7 | P402 Y403 L405 T446 N456 D457 P458 L512 | P402-F448 VanDerWaalsContact CA-O 3.29Å; P402-F448 WeakPolarHBondContact CA-O 3.4Å; Y403-F448 HydrophobicContact CD1-CB 4.05Å; Y403-F448 HydrophobicContact CD2-CB 4.47Å; Y403-F448 HydrophobicContact CE1-CB 3.44Å; Y403-F448 VanDerWaalsContact CE1-CB 3.44Å; Y403-F448 HydrophobicContact CE1-CG 4.38Å; Y403-F448 HydrophobicContact CE2-CB 3.9Å; Y403-F448 AromaticContact CE2-CD2 3.87Å; Y403-F448 HydrophobicContact CE2-CD2 3.87Å; Y403-F448 HydrophobicContact CE2-CG 4.17Å; Y403-F448 AromaticContact CZ-CD2 3.97Å; Y403-F448 AromaticContact CZ-CG 3.79Å; Y403-F448 PolarHBondContact N-O 2.78Å; Y403-F448 PolarHBondContact O-N 2.96Å; Y403-F448 WeakPolarHBondContact OH-CB 3.47Å; L405-F448 HydrophobicContact CB-CD2 4.23Å; L405-F448 HydrophobicContact CB-CE2 4.01Å; L405-F448 HydrophobicContact CD2-CE2 3.9Å; T446-F448 HydrophobicContact CG2-CD2 4.04Å; T446-F448 HydrophobicContact CG2-CE1 4.49Å; T446-F448 HydrophobicContact CG2-CE2 3.33Å; T446-F448 HydrophobicContact CG2-CZ 3.6Å; F448-N456 HydrophobicContact CB-CB 4.25Å; F448-N456 HydrophobicContact CD1-CB 4.23Å; F448-D457 CarbonylContact C-O 3.57Å; F448-D457 VanDerWaalsContact CA-O 3.3Å; F448-D457 WeakPolarHBondContact CA-O 3.2Å; F448-P458 HydrophobicContact CD1-CB 4.13Å; F448-P458 HydrophobicContact CE1-CB 3.84Å; F448-L512 HydrophobicContact CE1-CD2 4.19Å; F448-L512 HydrophobicContact CZ-CD2 4Å |
| 449 | D | 89.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 118.3 | 166.1 | -171.1 | 7.1 | 0 | 0 | 0 | 108.6 | M378 V400 D401 D451 N456 D457 I459 | M378-D449 HydrophobicContact CB-CB 4.06Å; M378-D449 WeakPolarHBondContact CB-OD2 3.37Å; M378-D449 HydrophobicContact CG-CB 3.73Å; V400-D449 HydrophobicContact CB-CB 4.42Å; V400-D449 HydrophobicContact CG1-CB 4.24Å; D401-D449 PolarHBondContact N-OD1 2.55Å; D449-D451 PolarHBondContact O-N 2.8Å; D449-N456 VanDerWaalsContact O-CA 3.26Å; D449-N456 WeakPolarHBondContact O-CA 3.14Å; D449-N456 WeakPolarHBondContact O-CB 3.36Å; D449-D457 PolarHBondContact N-O 3.09Å; D449-D457 PolarHBondContact O-N 2.65Å; D449-I459 HydrophobicContact CB-CD1 4.17Å; D449-I459 HydrophobicContact CB-CG1 4.19Å |
| 450 | W | 86.3 | Confident | 82.8 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 26% | 0.261 | 21% | 0.207 | S | C | . | . | trans | -74.7 | 127.9 | 178.3 | 178.2 | 80.1 | 0 | 0 | 0 | 110.8 | D401 Y403 T417 Y419 R452 | D401-W450 HydrophobicContact CB-CB 4.03Å; D401-W450 WeakPolarHBondContact O-CB 3.28Å; D401-W450 PolarHBondContact O-N 2.86Å; Y403-W450 HydrophobicContact CD1-CB 4.04Å; Y403-W450 HydrophobicContact CE1-CB 4.17Å; T417-W450 HydrophobicContact CG2-CB 3.65Å; T417-W450 HydrophobicContact CG2-CG 4.09Å; Y419-W450 HydrophobicContact CD1-CE3 4.29Å; Y419-W450 HydrophobicContact CD1-CZ3 4.46Å; Y419-W450 HydrophobicContact CE1-CD2 4.29Å; Y419-W450 AromaticContact CE1-CE3 3.6Å; Y419-W450 HydrophobicContact CE1-CE3 3.6Å; Y419-W450 AromaticContact CE1-CZ3 3.73Å; Y419-W450 HydrophobicContact CE1-CZ3 3.73Å; W450-R452 HydrophobicContact CH2-CB 3.78Å; W450-R452 HydrophobicContact CH2-CG 4.28Å; W450-R452 HydrophobicContact CZ2-CB 4.46Å; W450-R452 HydrophobicContact CZ3-CB 4.09Å | ||
| 451 | D | 77.6 | Confident | 83.9 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | trans | -116.9 | 134.3 | 178 | -98.7 | -29.8 | 0 | 0 | 0 | 112.5 | K387 K397 D449 I453 N456 | K387-D451 IonicContact NZ-OD1 3.36Å; K387-D451 PolarHBondContact NZ-OD1 3.47Å; K387-D451 IonicContact NZ-OD2 3.19Å; K387-D451 PolarHBondContact NZ-OD2 3.06Å; K397-D451 IonicContact NZ-OD1 3.39Å; D449-D451 PolarHBondContact O-N 2.8Å; D451-I453 VanDerWaalsContact C-N 3.3Å; D451-I453 PolarHBondContact O-N 2.8Å; D451-N456 PolarHBondContact N-OD1 3.4Å | ||
| 452 | R | 66 | Low | 84.6 | Confident | 188 Ų | 188 | 41.9 Ų | 41.9 | 71% | 0.709 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -68.1 | -32.3 | 176.4 | -177.2 | 179.2 | -92 | -175.3 | -3.9 | 111.8 | W450 | W450-R452 HydrophobicContact CH2-CB 3.78Å; W450-R452 HydrophobicContact CH2-CG 4.28Å; W450-R452 HydrophobicContact CZ2-CB 4.46Å; W450-R452 HydrophobicContact CZ3-CB 4.09Å |
| 453 | I | 59.6 | Low | 84.8 | Confident | 104 Ų | 104 | 40.2 Ų | 40.2 | 53% | 0.533 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -135.2 | 120.1 | 180 | -57.6 | 175 | 0 | 0 | 0 | 107.5 | D451 | D451-I453 VanDerWaalsContact C-N 3.3Å; D451-I453 PolarHBondContact O-N 2.8Å |
| 454 | G | 63.8 | Low | 84.8 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 64% | 0.639 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 118.4 | -168.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 455 | Y | 68.1 | Low | 84.6 | Confident | 169 Ų | 169 | 40.5 Ų | 40.5 | 66% | 0.663 | 20% | 0.204 | S | C | * | . | P | Polyproline II helix | trans | -88.7 | 148.5 | 168.3 | -66.9 | -74.6 | 0 | 0 | 0 | 108.5 | D457 | Y455-D457 PolarHBondContact O-N 3.13Š|
| 456 | N | 81.4 | Confident | 84.2 | Confident | 45 Ų | 45 | 40.6 Ų | 40.6 | 24% | 0.241 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 128.2 | 173.5 | -61.7 | -22.3 | 0 | 0 | 0 | 109 | Y403 F448 D449 D451 | Y403-N456 HydrophobicContact CE1-CB 4.27Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.49Å; Y403-N456 PolarHBondContact OH-ND2 3.48Å; F448-N456 HydrophobicContact CB-CB 4.25Å; F448-N456 HydrophobicContact CD1-CB 4.23Å; D449-N456 VanDerWaalsContact O-CA 3.26Å; D449-N456 WeakPolarHBondContact O-CA 3.14Å; D449-N456 WeakPolarHBondContact O-CB 3.36Å; D451-N456 PolarHBondContact N-OD1 3.4Å |
| 457 | D | 85.2 | Confident | 83.4 | Confident | 44 Ų | 44 | 42.4 Ų | 42.4 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130.7 | -175 | -66.2 | -34.8 | 0 | 0 | 0 | 111 | M378 F448 D449 Y455 I459 | M378-D457 HydrophobicContact CB-CB 4.12Å; M378-D457 HydrophobicContact CE-CB 3.74Å; M378-D457 HydrophobicContact CG-CB 4.33Å; F448-D457 CarbonylContact C-O 3.57Å; F448-D457 VanDerWaalsContact CA-O 3.3Å; F448-D457 WeakPolarHBondContact CA-O 3.2Å; D449-D457 PolarHBondContact N-O 3.09Å; D449-D457 PolarHBondContact O-N 2.65Å; Y455-D457 PolarHBondContact O-N 3.13Å; D457-I459 PolarHBondContact O-N 3.45Å |
| 458 | P | 90 | Very high | 83 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121.5 | 176 | 28.6 | -32.7 | 0 | 0 | 0 | 110.4 | M378 F448 E508 N511 L512 | M378-P458 WeakPolarHBondContact CE-O 3.37Å; F448-P458 HydrophobicContact CD1-CB 4.13Å; F448-P458 HydrophobicContact CE1-CB 3.84Å; P458-E508 WeakPolarHBondContact CD-OE1 3.42Å; P458-E508 HydrophobicContact CG-CG 3.93Å; P458-N511 HydrophobicContact CB-CB 3.86Å; P458-N511 HydrophobicContact CG-CB 3.98Å; P458-N511 WeakPolarHBondContact O-CB 3.32Å; P458-N511 PolarHBondContact O-ND2 3.43Å; P458-L512 HydrophobicContact CB-CD2 3.62Å; P458-L512 HydrophobicContact CB-CG 4.02Å; P458-L512 HydrophobicContact CG-CD2 4.01Å; P458-L512 HydrophobicContact CG-CG 4.02Å |
| 459 | I | 91 | Very high | 82.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -49.4 | -179.5 | -58.8 | 172.6 | 0 | 0 | 0 | 110.2 | L375 P376 M378 V400 P402 F447 D449 D457 R521 | L375-I459 HydrophobicContact CD2-CG2 4.3Å; P376-I459 HydrophobicContact CG-CG2 3.99Å; M378-I459 HydrophobicContact CG-CG1 3.81Å; M378-I459 HydrophobicContact SD-CB 4.32Å; M378-I459 HydrophobicContact SD-CG1 4.02Å; M378-I459 HydrophobicContact SD-CG2 4.41Å; V400-I459 HydrophobicContact CB-CD1 4.29Å; V400-I459 HydrophobicContact CG1-CD1 4.33Å; V400-I459 HydrophobicContact CG2-CD1 4.41Å; P402-I459 HydrophobicContact CB-CD1 4.17Å; F447-I459 HydrophobicContact CB-CB 4.26Å; F447-I459 PolarHBondContact O-N 2.87Å; D449-I459 HydrophobicContact CB-CD1 4.17Å; D449-I459 HydrophobicContact CB-CG1 4.19Å; D457-I459 PolarHBondContact O-N 3.45Å; I459-R521 WeakPolarHBondContact O-CB 3.36Å; I459-R521 PolarHBondContact O-NE 2.82Å; I459-R521 PolarHBondContact O-NH2 2.83Å |
| 460 | G | 91.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | 163 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F447 N511 | F447-G460 PolarHBondContact N-O 3.09Å; G460-N511 CarbonylContact C-O 3.38Å; G460-N511 VanDerWaalsContact C-O 3.3Å; G460-N511 WeakPolarHBondContact CA-O 3.48Å |
| 461 | T | 93.3 | Very high | 82 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.9 | -177.5 | -63.6 | 0 | 0 | 0 | 0 | 111 | K444 F445 V463 N511 L512 G513 | K444-T461 HydrophobicContact CD-CG2 4.23Å; K444-T461 HydrophobicContact CG-CG2 3.67Å; F445-T461 CarbonylContact O-C 3.55Å; F445-T461 VanDerWaalsContact O-CA 3.31Å; F445-T461 WeakPolarHBondContact O-CA 3.42Å; T461-V463 HydrophobicContact CG2-CG2 4.02Å; T461-N511 PolarHBondContact N-O 3.47Å; T461-N511 PolarHBondContact OG1-O 3.13Å; T461-L512 VanDerWaalsContact OG1-C 3.24Å; T461-L512 WeakPolarHBondContact OG1-CA 3.2Å; T461-G513 PolarHBondContact OG1-N 3.12Å |
| 462 | G | 91.4 | Very high | 81.5 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F445 L493 | F445-G462 PolarHBondContact N-O 2.97Å; F445-G462 PolarHBondContact O-N 2.68Å; G462-L493 VanDerWaalsContact N-CD2 3.33Å |
| 463 | V | 90.5 | Very high | 81.3 | Confident | 69 Ų | 69 | 44 Ų | 44 | 42% | 0.418 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.7 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | K442 L443 K444 T461 | K442-V463 HydrophobicContact CB-CG1 3.77Å; K442-V463 HydrophobicContact CD-CG1 4.22Å; K442-V463 HydrophobicContact CG-CG1 3.88Å; L443-V463 WeakPolarHBondContact O-CA 3.44Å; K444-V463 HydrophobicContact CG-CG2 4.28Å; T461-V463 HydrophobicContact CG2-CG2 4.02Å |
| 464 | I | 89.2 | Confident | 81.1 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130 | 170.2 | -55.3 | 176.5 | 0 | 0 | 0 | 108.4 | L443 F445 I469 F486 I491 L526 | L443-I464 HydrophobicContact CB-CB 4.43Å; L443-I464 PolarHBondContact N-O 3.29Å; L443-I464 PolarHBondContact O-N 2.87Å; F445-I464 HydrophobicContact CD2-CG1 4.49Å; F445-I464 HydrophobicContact CE2-CD1 3.59Å; F445-I464 HydrophobicContact CE2-CG1 3.87Å; F445-I464 HydrophobicContact CZ-CD1 4.18Å; I464-I469 HydrophobicContact CG2-CB 4.38Å; I464-I469 HydrophobicContact CG2-CD1 3.72Å; I464-I469 HydrophobicContact CG2-CG1 3.94Å; I464-I469 HydrophobicContact CG2-CG2 3.58Å; I464-F486 HydrophobicContact CD1-CD1 4.14Å; I464-F486 HydrophobicContact CD1-CD2 4.23Å; I464-F486 HydrophobicContact CD1-CE1 4.43Å; I464-F486 HydrophobicContact CD1-CE2 4.48Å; I464-F486 HydrophobicContact CD1-CG 4.06Å; I464-I491 HydrophobicContact CD1-CD1 3.46Å; I464-I491 VanDerWaalsContact CD1-CD1 3.46Å; I464-I491 HydrophobicContact CG1-CD1 3.56Å; I464-L526 HydrophobicContact CD1-CD1 4.22Å |
| 465 | S | 87.4 | Confident | 80.6 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.3 | 173.3 | -141.4 | 0 | 0 | 0 | 0 | 109.4 | E441 S467 Q468 I469 | E441-S465 CarbonylContact O-C 3.56Å; E441-S465 VanDerWaalsContact O-CA 3.28Å; E441-S465 WeakPolarHBondContact O-CA 3.15Å; E441-S465 WeakPolarHBondContact OE1-CB 3.17Å; E441-S465 PolarHBondContact OE1-OG 3.16Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 2.75Å; S465-Q468 VanDerWaalsContact CB-CD 3.41Å; S465-Q468 WeakPolarHBondContact O-CB 3.37Å; S465-Q468 PolarHBondContact O-N 2.96Å; S465-I469 PolarHBondContact O-N 3.39Å |
| 466 | I | 84.7 | Confident | 79.9 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -60.7 | -39.6 | -177 | -62.4 | -54.4 | 0 | 0 | 0 | 111.4 | F365 F408 C440 E441 L443 Q468 I469 S470 P484 | F365-I466 HydrophobicContact CE2-CD1 4.14Å; F365-I466 HydrophobicContact CZ-CD1 3.9Å; F408-I466 HydrophobicContact CE2-CD1 3.89Å; F408-I466 HydrophobicContact CE2-CG1 3.65Å; F408-I466 HydrophobicContact CZ-CD1 4.25Å; F408-I466 HydrophobicContact CZ-CG1 4.02Å; C440-I466 WeakPolarHBondContact O-CG1 3.33Å; E441-I466 PolarHBondContact O-N 3.25Å; E441-I466 PolarHBondContact OE1-N 2.79Å; L443-I466 HydrophobicContact CB-CD1 4.08Å; I466-Q468 PolarHBondContact O-N 2.78Å; I466-I469 HydrophobicContact CD1-CD1 4.23Å; I466-I469 WeakPolarHBondContact O-CG1 3.4Å; I466-I469 PolarHBondContact O-N 2.94Å; I466-I469 VanDerWaalsContact O-N 3.15Å; I466-S470 PolarHBondContact O-N 2.92Å; I466-S470 PolarHBondContact O-OG 2.83Å; I466-P484 HydrophobicContact CG2-CB 4.47Å; I466-P484 HydrophobicContact CG2-CG 3.93Å |
| 467 | S | 78.5 | Confident | 78.5 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -64.5 | -23.1 | 176.9 | 65 | 0 | 0 | 0 | 0 | 113.9 | E441 S465 | E441-S467 WeakPolarHBondContact OE1-CB 3.37Å; E441-S467 PolarHBondContact OE1-N 3.13Å; E441-S467 PolarHBondContact OE1-OG 2.98Å; E441-S467 PolarHBondContact OE2-N 3.33Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 2.75Å |
| 468 | Q | 85.8 | Confident | 76.9 | Confident | 75 Ų | 75 | 41.3 Ų | 41.3 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -84.9 | -17.9 | 177.9 | -65.7 | 173.3 | -9.8 | 0 | 0 | 112.3 | S465 I466 M707 I755 P757 | S465-Q468 VanDerWaalsContact CB-CD 3.41Å; S465-Q468 WeakPolarHBondContact O-CB 3.37Å; S465-Q468 PolarHBondContact O-N 2.96Å; I466-Q468 PolarHBondContact O-N 2.78Å; Q468-M707 WeakPolarHBondContact O-CE 3.47Å; Q468-I755 HydrophobicContact CG-CG2 4.03Å; Q468-P757 HydrophobicContact CB-CB 4.32Å |
| 469 | I | 88.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -113.2 | 13.2 | -177.5 | 63.9 | 153.3 | 0 | 0 | 0 | 114.2 | I464 S465 I466 F482 P484 T485 F486 L528 M707 P757 | I464-I469 HydrophobicContact CG2-CB 4.38Å; I464-I469 HydrophobicContact CG2-CD1 3.72Å; I464-I469 HydrophobicContact CG2-CG1 3.94Å; I464-I469 HydrophobicContact CG2-CG2 3.58Å; S465-I469 PolarHBondContact O-N 3.39Å; I466-I469 HydrophobicContact CD1-CD1 4.23Å; I466-I469 WeakPolarHBondContact O-CG1 3.4Å; I466-I469 PolarHBondContact O-N 2.94Å; I466-I469 VanDerWaalsContact O-N 3.15Å; I469-F482 WeakPolarHBondContact O-CE2 3.28Å; I469-P484 HydrophobicContact CD1-CB 3.85Å; I469-P484 HydrophobicContact CG1-CB 4.23Å; I469-P484 VanDerWaalsContact O-CA 3.26Å; I469-P484 WeakPolarHBondContact O-CA 3.13Å; I469-T485 PolarHBondContact O-N 3.21Å; I469-F486 HydrophobicContact CD1-CB 4.43Å; I469-F486 HydrophobicContact CG2-CB 4.36Å; I469-F486 HydrophobicContact CG2-CD2 4.07Å; I469-L528 HydrophobicContact CD1-CD2 3.45Å; I469-L528 VanDerWaalsContact CD1-CD2 3.45Å; I469-M707 HydrophobicContact CB-CE 4.2Å; I469-M707 HydrophobicContact CG2-CE 4.19Å; I469-P757 HydrophobicContact CG2-CB 3.81Å; I469-P757 HydrophobicContact CG2-CG 3.96Å |
| 470 | S | 84.2 | Confident | 74.1 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | trans | -144.7 | 158.4 | 177.6 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | I466 F482 | I466-S470 PolarHBondContact O-N 2.92Å; I466-S470 PolarHBondContact O-OG 2.83Å; S470-F482 VanDerWaalsContact CA-CE2 3.43Å | ||
| 471 | A | 73.8 | Confident | 73.2 | Confident | 23 Ų | 23 | 51 Ų | 51 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -139 | 135 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G481 F482 | A471-G481 CarbonylContact O-C 3.58Å; A471-G481 WeakPolarHBondContact O-CA 3.31Å; A471-F482 HydrophobicContact CB-CD1 3.61Å; A471-F482 HydrophobicContact CB-CE1 3.28Å; A471-F482 HydrophobicContact CB-CG 4.49Å; A471-F482 HydrophobicContact CB-CZ 3.94Å; A471-F482 PolarHBondContact N-O 3.37Å; A471-F482 PolarHBondContact O-N 2.8Å |
| 472 | F | 67.2 | Low | 72.8 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | trans | -72.2 | 141.3 | 175.2 | -77.6 | -89.2 | 0 | 0 | 0 | 110.6 | Q214 Q216 P437 D474 | Q214-F472 HydrophobicContact CB-CE2 3.6Å; Q214-F472 HydrophobicContact CB-CZ 3.75Å; Q214-F472 HydrophobicContact CG-CE2 4.05Å; Q214-F472 HydrophobicContact CG-CZ 4.35Å; Q216-F472 HydrophobicContact CG-CB 4.45Å; P437-F472 HydrophobicContact CB-CZ 4.31Å; P437-F472 HydrophobicContact CG-CE1 4.47Å; F472-D474 PolarHBondContact O-N 3.16Å | ||
| 473 | R | 61 | Low | 72.5 | Confident | 163 Ų | 163 | 54 Ų | 54 | 62% | 0.615 | 30% | 0.302 | S | S | * | . | trans | -69.4 | 119.9 | 170.6 | 173.7 | 176.3 | 159.7 | 164.7 | -2.4 | 108.4 | Q216 D475 | Q216-R473 PolarHBondContact NE2-O 3.47Å; R473-D475 IonicContact CZ-OD1 2.69Å; R473-D475 VanDerWaalsContact CZ-OD1 3.22Å; R473-D475 IonicContact NE-OD1 3.15Å; R473-D475 PolarHBondContact NE-OD1 3.13Å; R473-D475 IonicContact NH2-OD1 3.5Å; R473-D475 PolarHBondContact NH2-OD1 3.37Å | ||
| 474 | D | 56.4 | Low | 72.4 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -93.3 | 111.1 | 165.8 | -164.7 | -14.1 | 0 | 0 | 0 | 108.4 | R275 F472 N476 G478 S479 | R275-D474 IonicContact NH2-OD2 3.58Å; R275-D474 PolarHBondContact NH2-OD2 3.37Å; R275-D474 VanDerWaalsContact NH2-OD2 3.1Å; F472-D474 PolarHBondContact O-N 3.16Å; D474-N476 PolarHBondContact O-N 2.93Å; D474-N476 WeakPolarHBondContact OD1-CB 3.27Å; D474-N476 PolarHBondContact OD1-N 2.89Å; D474-G478 PolarHBondContact O-N 3.31Å; D474-S479 WeakPolarHBondContact CB-OG 3.34Å; D474-S479 PolarHBondContact N-OG 3.18Å; D474-S479 VanDerWaalsContact N-OG 3.17Å; D474-S479 PolarHBondContact O-N 3.46Å; D474-S479 PolarHBondContact O-OG 3.38Å |
| 475 | D | 54.2 | Low | 72.6 | Confident | 87 Ų | 87 | 50.8 Ų | 50.8 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22 | 178.3 | -72.1 | -50.4 | 0 | 0 | 0 | 112.1 | R473 | R473-D475 IonicContact CZ-OD1 2.69Å; R473-D475 VanDerWaalsContact CZ-OD1 3.22Å; R473-D475 IonicContact NE-OD1 3.15Å; R473-D475 PolarHBondContact NE-OD1 3.13Å; R473-D475 IonicContact NH2-OD1 3.5Å; R473-D475 PolarHBondContact NH2-OD1 3.37Å |
| 476 | N | 52.9 | Low | 73.1 | Confident | 104 Ų | 104 | 49.8 Ų | 49.8 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -36.4 | -176.3 | -71.2 | -10.4 | 0 | 0 | 0 | 113.3 | R275 D474 | R275-N476 PolarHBondContact NH1-ND2 3.1Å; D474-N476 PolarHBondContact O-N 2.93Å; D474-N476 WeakPolarHBondContact OD1-CB 3.27Å; D474-N476 PolarHBondContact OD1-N 2.89Å |
| 477 | D | 51.4 | Low | 73.5 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 54% | 0.54 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.1 | 179.7 | -97.5 | -7.4 | 0 | 0 | 0 | 113 | S479 | D477-S479 PolarHBondContact O-N 3.35Š|
| 478 | G | 52.5 | Low | 74.2 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 67% | 0.67 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D474 E480 | D474-G478 PolarHBondContact O-N 3.31Å; G478-E480 PolarHBondContact O-N 3.34Å |
| 479 | S | 57.9 | Low | 74.7 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -67.9 | 121.4 | 177.9 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | D474 D477 G481 | D474-S479 WeakPolarHBondContact CB-OG 3.34Å; D474-S479 PolarHBondContact N-OG 3.18Å; D474-S479 VanDerWaalsContact N-OG 3.17Å; D474-S479 PolarHBondContact O-N 3.46Å; D474-S479 PolarHBondContact O-OG 3.38Å; D477-S479 PolarHBondContact O-N 3.35Å; S479-G481 PolarHBondContact O-N 3.34Å |
| 480 | E | 64.5 | Low | 75 | Confident | 145 Ų | 145 | 45.5 Ų | 45.5 | 68% | 0.678 | 25% | 0.254 | S | S | * | . | trans | -76.2 | 105.4 | 168.1 | -72.6 | 178.1 | 158.3 | 0 | 0 | 108.5 | G478 K713 | G478-E480 PolarHBondContact O-N 3.34Å; E480-K713 IonicContact OE2-NZ 3.85Å; E480-K713 PolarHBondContact OE2-NZ 2.79Å | ||
| 481 | G | 72 | Confident | 75.5 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | trans | -69.6 | 172.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | A471 S479 | A471-G481 CarbonylContact O-C 3.58Å; A471-G481 WeakPolarHBondContact O-CA 3.31Å; S479-G481 PolarHBondContact O-N 3.34Å | ||
| 482 | F | 83.8 | Confident | 76.5 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -141.3 | 146.4 | 178.3 | 60.8 | -85 | 0 | 0 | 0 | 111.7 | I469 S470 A471 M707 H710 | I469-F482 WeakPolarHBondContact O-CE2 3.28Å; S470-F482 VanDerWaalsContact CA-CE2 3.43Å; A471-F482 HydrophobicContact CB-CD1 3.61Å; A471-F482 HydrophobicContact CB-CE1 3.28Å; A471-F482 HydrophobicContact CB-CG 4.49Å; A471-F482 HydrophobicContact CB-CZ 3.94Å; A471-F482 PolarHBondContact N-O 3.37Å; A471-F482 PolarHBondContact O-N 2.8Å; F482-M707 HydrophobicContact CE2-CE 4.26Å; F482-M707 HydrophobicContact CE2-SD 3.64Å; F482-M707 HydrophobicContact CZ-CE 4.41Å; F482-M707 HydrophobicContact CZ-SD 4.15Å; F482-H710 VanDerWaalsContact CB-ND1 3.26Å; F482-H710 WeakPolarHBondContact CB-ND1 3.4Å; F482-H710 HydrophobicContact CD1-CB 3.67Å; F482-H710 AromaticContact CD1-CG 3.93Å; F482-H710 HydrophobicContact CD2-CB 4.05Å; F482-H710 AromaticContact CD2-ND1 3.47Å; F482-H710 WeakPolarHBondContact CD2-ND1 3.44Å; F482-H710 HydrophobicContact CE1-CB 3.74Å; F482-H710 HydrophobicContact CE2-CB 4.11Å; F482-H710 HydrophobicContact CG-CB 3.84Å; F482-H710 AromaticContact CG-CG 3.71Å; F482-H710 AromaticContact CG-ND1 3.32Å; F482-H710 VanDerWaalsContact CG-ND1 3.32Å; F482-H710 WeakPolarHBondContact CG-ND1 3.38Å; F482-H710 HydrophobicContact CZ-CB 3.98Å |
| 483 | L | 85.6 | Confident | 77.8 | Confident | 57 Ų | 57 | 42.6 Ų | 42.6 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | trans | -69.7 | 164.1 | 176.2 | -61.3 | 177 | 0 | 0 | 0 | 110.9 | F436 T485 T530 L532 | F436-L483 HydrophobicContact CD1-CD2 4.18Å; F436-L483 HydrophobicContact CE1-CD2 3.4Å; F436-L483 HydrophobicContact CE2-CD2 4.29Å; F436-L483 HydrophobicContact CZ-CD2 3.47Å; F436-L483 VanDerWaalsContact CZ-CD2 3.47Å; L483-T485 PolarHBondContact O-N 3.46Å; L483-T485 PolarHBondContact O-OG1 3.42Å; L483-T530 HydrophobicContact CB-CG2 4.35Å; L483-T530 HydrophobicContact CD1-CG2 4.37Å; L483-L532 HydrophobicContact CD1-CD1 4.08Å; L483-L532 HydrophobicContact CD1-CD2 4.27Å; L483-L532 HydrophobicContact CD1-CG 3.84Å; L483-L532 HydrophobicContact CD2-CD1 4.43Å; L483-L532 HydrophobicContact CD2-CD2 4.46Å | ||
| 484 | P | 89.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -54.5 | 114.2 | 176.9 | -24.5 | 32.9 | 0 | 0 | 0 | 112 | F365 F436 I466 I469 T530 | F365-P484 HydrophobicContact CE1-CB 3.9Å; F365-P484 HydrophobicContact CE1-CG 4.1Å; F365-P484 HydrophobicContact CZ-CB 4.27Å; F365-P484 HydrophobicContact CZ-CG 4.38Å; F436-P484 VanDerWaalsContact CE2-CD 3.44Å; F436-P484 HydrophobicContact CE2-CG 3.77Å; F436-P484 HydrophobicContact CZ-CG 4.48Å; I466-P484 HydrophobicContact CG2-CB 4.47Å; I466-P484 HydrophobicContact CG2-CG 3.93Å; I469-P484 HydrophobicContact CD1-CB 3.85Å; I469-P484 HydrophobicContact CG1-CB 4.23Å; I469-P484 VanDerWaalsContact O-CA 3.26Å; I469-P484 WeakPolarHBondContact O-CA 3.13Å; P484-T530 WeakPolarHBondContact CB-OG1 3.43Å; P484-T530 WeakPolarHBondContact O-CB 3.21Å; P484-T530 PolarHBondContact O-N 3.23Å; P484-T530 PolarHBondContact O-OG1 3.19Å |
| 485 | T | 93.5 | Very high | 81.1 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | trans | -139.3 | 135.6 | -177.7 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | I469 L483 L528 E706 M707 | I469-T485 PolarHBondContact O-N 3.21Å; L483-T485 PolarHBondContact O-N 3.46Å; L483-T485 PolarHBondContact O-OG1 3.42Å; T485-L528 WeakPolarHBondContact CA-O 3.33Å; T485-E706 HydrophobicContact CG2-CB 3.96Å; T485-E706 HydrophobicContact CG2-CG 4.11Å; T485-M707 VanDerWaalsContact O-SD 3.38Å | ||
| 486 | F | 96.1 | Very high | 82.8 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 141.7 | 178.6 | 174.8 | -82.4 | 0 | 0 | 0 | 110.7 | I464 I469 I491 L526 E527 L528 Q758 | I464-F486 HydrophobicContact CD1-CD1 4.14Å; I464-F486 HydrophobicContact CD1-CD2 4.23Å; I464-F486 HydrophobicContact CD1-CE1 4.43Å; I464-F486 HydrophobicContact CD1-CE2 4.48Å; I464-F486 HydrophobicContact CD1-CG 4.06Å; I469-F486 HydrophobicContact CD1-CB 4.43Å; I469-F486 HydrophobicContact CG2-CB 4.36Å; I469-F486 HydrophobicContact CG2-CD2 4.07Å; F486-I491 HydrophobicContact CE1-CD1 3.9Å; F486-I491 HydrophobicContact CE1-CG1 3.87Å; F486-I491 HydrophobicContact CE2-CG1 4.39Å; F486-I491 HydrophobicContact CZ-CD1 3.84Å; F486-I491 HydrophobicContact CZ-CG1 3.48Å; F486-I491 VanDerWaalsContact CZ-CG1 3.48Å; F486-L526 HydrophobicContact CD1-CD1 3.56Å; F486-L526 HydrophobicContact CE1-CD1 3.68Å; F486-L526 HydrophobicContact CE1-CG 4.34Å; F486-E527 CarbonylContact O-C 3.48Å; F486-E527 VanDerWaalsContact O-CA 3.29Å; F486-E527 WeakPolarHBondContact O-CA 3.33Å; F486-L528 HydrophobicContact CB-CB 4.13Å; F486-L528 PolarHBondContact N-O 3.22Å; F486-L528 PolarHBondContact O-N 3.01Å; F486-Q758 HydrophobicContact CD2-CG 3.91Å; F486-Q758 HydrophobicContact CE2-CB 4.32Å; F486-Q758 HydrophobicContact CE2-CG 3.72Å; F486-Q758 HydrophobicContact CZ-CG 4.45Å |
| 487 | G | 93.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75 | -172.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N705 | G487-N705 VanDerWaalsContact C-ND2 3.34Å; G487-N705 WeakPolarHBondContact CA-ND2 3.48Å; G487-N705 WeakPolarHBondContact O-CB 3.46Å; G487-N705 PolarHBondContact O-ND2 3.38Å |
| 488 | P | 94.2 | Very high | 85.6 | Confident | 19 Ų | 19 | 24 Ų | 24 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -58.4 | 122.2 | 4.9 | -19.4 | 26.9 | 0 | 0 | 0 | 112.9 | L525 L526 E527 I552 N705 | P488-L525 HydrophobicContact CB-CD1 4.33Å; P488-L526 WeakPolarHBondContact CA-O 3.34Å; P488-E527 HydrophobicContact CG-CB 4.31Å; P488-E527 HydrophobicContact CG-CG 4.4Å; P488-E527 WeakPolarHBondContact CG-OE2 3.48Å; P488-I552 HydrophobicContact CB-CG2 4.22Å; P488-I552 HydrophobicContact CG-CG2 4.12Å; P488-N705 PolarHBondContact O-ND2 3.35Å |
| 489 | S | 95.2 | Very high | 86.3 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 154.6 | 176.1 | -160.6 | 0 | 0 | 0 | 0 | 111.3 | L526 R641 | S489-L526 PolarHBondContact N-O 2.88Å; S489-L526 VanDerWaalsContact N-O 3.09Å; S489-L526 PolarHBondContact O-N 3.14Å; S489-R641 PolarHBondContact OG-NH1 3.35Å |
| 490 | F | 95.6 | Very high | 86.5 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.022 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 144.9 | 176.2 | -74.8 | -88.5 | 0 | 0 | 0 | 111.6 | E373 R523 V524 L525 L556 | E373-F490 HydrophobicContact CG-CE1 4.06Å; F490-R523 HydrophobicContact CB-CB 4.47Å; F490-R523 HydrophobicContact CB-CG 4.48Å; F490-R523 HydrophobicContact CD1-CB 4.12Å; F490-R523 HydrophobicContact CD1-CG 3.59Å; F490-R523 HydrophobicContact CE1-CG 4.06Å; F490-R523 HydrophobicContact CG-CG 4.27Å; F490-V524 CarbonylContact C-O 3.52Å; F490-V524 WeakPolarHBondContact CA-O 3.35Å; F490-L525 HydrophobicContact CD1-CB 3.79Å; F490-L525 HydrophobicContact CD2-CB 4.46Å; F490-L525 HydrophobicContact CD2-CD1 4.12Å; F490-L525 HydrophobicContact CE1-CB 3.58Å; F490-L525 HydrophobicContact CE2-CB 4.26Å; F490-L525 HydrophobicContact CE2-CD1 4.22Å; F490-L525 HydrophobicContact CE2-CD2 4.43Å; F490-L525 HydrophobicContact CG-CB 4.24Å; F490-L525 HydrophobicContact CG-CD1 4.41Å; F490-L525 HydrophobicContact CZ-CB 3.83Å; F490-L525 HydrophobicContact CZ-CD2 4.32Å; F490-L525 HydrophobicContact CZ-CG 4.48Å; F490-L556 HydrophobicContact CE2-CD2 4.15Å; F490-L556 HydrophobicContact CZ-CD2 3.98Å |
| 491 | I | 94.8 | Very high | 86.2 | Confident | 18 Ų | 18 | 25.3 Ų | 25.3 | 9% | 0.092 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125 | 168 | -59.4 | 174.2 | 0 | 0 | 0 | 108.1 | F445 I464 F486 R523 V524 L526 | F445-I491 HydrophobicContact CD2-CD1 4.49Å; F445-I491 HydrophobicContact CE2-CD1 4.46Å; I464-I491 HydrophobicContact CD1-CD1 3.46Å; I464-I491 VanDerWaalsContact CD1-CD1 3.46Å; I464-I491 HydrophobicContact CG1-CD1 3.56Å; F486-I491 HydrophobicContact CE1-CD1 3.9Å; F486-I491 HydrophobicContact CE1-CG1 3.87Å; F486-I491 HydrophobicContact CE2-CG1 4.39Å; F486-I491 HydrophobicContact CZ-CD1 3.84Å; F486-I491 HydrophobicContact CZ-CG1 3.48Å; F486-I491 VanDerWaalsContact CZ-CG1 3.48Å; I491-R523 CarbonylContact O-C 3.55Å; I491-R523 WeakPolarHBondContact O-CA 3.43Å; I491-R523 WeakPolarHBondContact O-CB 3.43Å; I491-V524 HydrophobicContact CB-CG1 4.08Å; I491-V524 PolarHBondContact N-O 3.14Å; I491-V524 PolarHBondContact O-N 3.08Å; I491-L526 HydrophobicContact CD1-CD1 4.08Å; I491-L526 HydrophobicContact CD1-CD2 3.85Å; I491-L526 HydrophobicContact CD1-CG 4.03Å |
| 492 | N | 95.6 | Very high | 85.3 | Confident | 18 Ų | 18 | 29.3 Ų | 29.3 | 10% | 0.096 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.1 | 177.9 | -67 | -52.1 | 0 | 0 | 0 | 111.1 | Y494 M759 S760 I761 | N492-Y494 HydrophobicContact CB-CE2 3.69Å; N492-M759 PolarHBondContact ND2-O 2.91Å; N492-S760 PolarHBondContact ND2-O 3.07Å; N492-S760 VanDerWaalsContact ND2-O 3.12Å; N492-S760 PolarHBondContact OD1-O 2.93Å; N492-I761 VanDerWaalsContact ND2-C 3.31Å; N492-I761 PolarHBondContact ND2-O 3.04Å |
| 493 | L | 95 | Very high | 84.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.1 | 178.7 | -52.6 | 176.2 | 0 | 0 | 0 | 109.4 | L375 F447 G462 R521 G522 V524 | L375-L493 HydrophobicContact CD2-CD1 4.08Å; F447-L493 HydrophobicContact CD2-CD1 3.55Å; F447-L493 HydrophobicContact CD2-CD2 3.97Å; F447-L493 HydrophobicContact CD2-CG 4.44Å; F447-L493 HydrophobicContact CE2-CD1 3.97Å; F447-L493 HydrophobicContact CE2-CD2 3.95Å; F447-L493 HydrophobicContact CG-CD1 4.12Å; G462-L493 VanDerWaalsContact N-CD2 3.33Å; L493-R521 HydrophobicContact CB-CB 4.26Å; L493-R521 PolarHBondContact O-N 3.27Å; L493-G522 WeakPolarHBondContact CA-O 3.4Å; L493-G522 VanDerWaalsContact CB-O 3.3Å; L493-G522 WeakPolarHBondContact CB-O 3.25Å; L493-G522 PolarHBondContact N-O 2.86Å; L493-V524 HydrophobicContact CD2-CG1 4.35Å |
| 494 | Y | 94 | Very high | 83.5 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 154.9 | 176.5 | -63.2 | -86.3 | 0 | 0 | 0 | 111.2 | N492 A519 D763 R779 | N492-Y494 HydrophobicContact CB-CE2 3.69Å; Y494-A519 VanDerWaalsContact CA-O 3.28Å; Y494-A519 WeakPolarHBondContact CA-O 3.41Å; Y494-D763 HydrophobicContact CE1-CB 4.43Å; Y494-D763 WeakPolarHBondContact OH-CB 3.41Å; Y494-D763 PolarHBondContact OH-N 2.83Å; Y494-D763 PolarHBondContact OH-OD1 2.61Å; Y494-R779 VanDerWaalsContact CE2-NH2 3.34Å; Y494-R779 VanDerWaalsContact CZ-NH2 3.34Å |
| 495 | G | 91.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | -151.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N511 G517 V518 A519 | G495-N511 WeakPolarHBondContact CA-OD1 3.44Å; G495-G517 CarbonylContact O-C 3.47Å; G495-G517 WeakPolarHBondContact O-CA 3.36Å; G495-V518 PolarHBondContact O-N 3.01Å; G495-A519 PolarHBondContact N-O 3.45Å; G495-A519 PolarHBondContact O-N 3.24Å; G495-A519 VanDerWaalsContact O-N 3.14Å |
| 496 | S | 89.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -68.4 | 161.2 | -178 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | R498 D505 N511 A519 | S496-R498 PolarHBondContact O-N 3.34Å; S496-D505 WeakPolarHBondContact CB-OD2 3.47Å; S496-D505 PolarHBondContact OG-OD2 2.64Å; S496-N511 PolarHBondContact N-OD1 2.85Å; S496-N511 PolarHBondContact OG-ND2 3.33Å; S496-N511 PolarHBondContact OG-OD1 2.94Å; S496-A519 WeakPolarHBondContact O-CB 3.42Å |
| 497 | P | 86.1 | Confident | 81.6 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | trans | -53.6 | 132.1 | 174 | -22 | 31.6 | 0 | 0 | 0 | 111.8 | E499 Y507 V518 W767 P809 | P497-E499 PolarHBondContact O-N 3.35Å; P497-E499 VanDerWaalsContact O-N 3.09Å; P497-Y507 HydrophobicContact CG-CD2 3.85Å; P497-Y507 HydrophobicContact CG-CE2 4.22Å; P497-V518 HydrophobicContact CB-CG2 4.47Å; P497-V518 HydrophobicContact CG-CG2 3.68Å; P497-W767 HydrophobicContact CB-CH2 4.11Å; P497-W767 HydrophobicContact CG-CH2 4.25Å; P497-P809 HydrophobicContact CG-CB 4.24Å; P497-P809 HydrophobicContact CG-CG 3.97Å | ||
| 498 | R | 77.2 | Confident | 81.2 | Confident | 26 Ų | 26 | 53 Ų | 53 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -74.2 | 96 | 170 | -70.6 | -174.3 | -179.2 | -159 | -0.1 | 108.7 | D374 S496 Y520 N589 L594 D595 R774 | D374-R498 PolarHBondContact O-NH2 3.41Å; S496-R498 PolarHBondContact O-N 3.34Å; R498-Y520 PolarHBondContact NE-O 3.37Å; R498-Y520 PolarHBondContact NH2-O 3.31Å; R498-N589 PolarHBondContact NH1-OD1 2.8Å; R498-N589 PolarHBondContact NH2-OD1 2.96Å; R498-L594 VanDerWaalsContact O-CD1 3.22Å; R498-L594 WeakPolarHBondContact O-CD1 3.44Å; R498-D595 IonicContact NH1-OD2 2.75Å; R498-D595 PolarHBondContact NH1-OD2 2.73Å; R498-R774 PolarHBondContact O-NH1 2.8Å | ||
| 499 | E | 66.9 | Low | 80.8 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | trans | -129.2 | 125.9 | 168.4 | -64.4 | -167 | 154.9 | 0 | 0 | 108.8 | P497 S501 R774 | P497-E499 PolarHBondContact O-N 3.35Å; P497-E499 VanDerWaalsContact O-N 3.09Å; E499-S501 PolarHBondContact O-N 2.93Å; E499-R774 WeakPolarHBondContact OE1-CB 3.44Å; E499-R774 PolarHBondContact OE1-N 2.93Å | ||
| 500 | Y | 61.9 | Low | 80.5 | Confident | 133 Ų | 133 | 53.5 Ų | 53.5 | 52% | 0.522 | 27% | 0.273 | S | S | . | . | trans | -75.3 | 97 | 171 | -63.2 | -70.9 | 0 | 0 | 0 | 108.1 | R377 L594 | R377-Y500 HydrophobicContact CB-CE1 4.33Å; Y500-L594 HydrophobicContact CE2-CB 4.25Å | ||
| 501 | S | 57.9 | Low | 80.2 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | trans | -125.7 | 140.5 | -179.8 | 121.1 | 0 | 0 | 0 | 0 | 109.5 | E499 L503 | E499-S501 PolarHBondContact O-N 2.93Å; S501-L503 PolarHBondContact O-N 2.94Å; S501-L503 PolarHBondContact OG-N 2.81Å; S501-L503 VanDerWaalsContact OG-N 3.1Å; S501-L503 PolarHBondContact OG-O 2.81Å | ||
| 502 | D | 54.6 | Low | 79.9 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -72.8 | -8.6 | 174.2 | -59 | -36.8 | 0 | 0 | 0 | 112.6 | A382 | A382-D502 HydrophobicContact CB-CB 4.32Å; A382-D502 WeakPolarHBondContact CB-OD1 3.38Å |
| 503 | L | 63.6 | Low | 79.3 | Confident | 134 Ų | 134 | 55.4 Ų | 55.4 | 70% | 0.702 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -89.2 | 148 | 177 | -65.5 | 171.9 | 0 | 0 | 0 | 110.7 | S501 | S501-L503 PolarHBondContact O-N 2.94Å; S501-L503 PolarHBondContact OG-N 2.81Å; S501-L503 VanDerWaalsContact OG-N 3.1Å; S501-L503 PolarHBondContact OG-O 2.81Å |
| 504 | P | 67.2 | Low | 78.7 | Confident | 121 Ų | 121 | 60.2 Ų | 60.2 | 79% | 0.786 | 31% | 0.312 | S | S | * | . | trans | -58.8 | 140.4 | 174.6 | 23.4 | -32.2 | 0 | 0 | 0 | 111 | K506 | P504-K506 PolarHBondContact O-N 2.9Š| ||
| 505 | D | 74.5 | Confident | 78.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | trans | -66.6 | 104.7 | -179.3 | -179.9 | 8.7 | 0 | 0 | 0 | 110.8 | S496 Y507 E508 | S496-D505 WeakPolarHBondContact CB-OD2 3.47Å; S496-D505 PolarHBondContact OG-OD2 2.64Å; D505-Y507 PolarHBondContact O-N 2.86Å; D505-Y507 WeakPolarHBondContact OD1-CA 3.48Å; D505-Y507 WeakPolarHBondContact OD1-CB 3.35Å; D505-Y507 PolarHBondContact OD1-N 2.93Å; D505-E508 HydrophobicContact CB-CB 4.34Å; D505-E508 WeakPolarHBondContact O-CB 3.31Å; D505-E508 PolarHBondContact O-N 2.79Å; D505-E508 VanDerWaalsContact O-N 3.14Å; D505-E508 PolarHBondContact OD2-N 3.24Å | ||
| 506 | K | 79.5 | Confident | 77.7 | Confident | 146 Ų | 146 | 64.3 Ų | 64.3 | 64% | 0.635 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.5 | 175.6 | 55.1 | 166.6 | 166.2 | 156.6 | 0 | 113.5 | P504 L811 | P504-K506 PolarHBondContact O-N 2.9Å; K506-L811 WeakPolarHBondContact O-CD1 3.34Å |
| 507 | Y | 85.2 | Confident | 77.6 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 11.8 | -178.4 | -58.6 | -64.9 | 0 | 0 | 0 | 113.8 | P497 D505 A509 L510 P809 L811 | P497-Y507 HydrophobicContact CG-CD2 3.85Å; P497-Y507 HydrophobicContact CG-CE2 4.22Å; D505-Y507 PolarHBondContact O-N 2.86Å; D505-Y507 WeakPolarHBondContact OD1-CA 3.48Å; D505-Y507 WeakPolarHBondContact OD1-CB 3.35Å; D505-Y507 PolarHBondContact OD1-N 2.93Å; Y507-A509 PolarHBondContact O-N 2.86Å; Y507-L510 VanDerWaalsContact O-CB 3.31Å; Y507-L510 WeakPolarHBondContact O-CB 3.38Å; Y507-L510 WeakPolarHBondContact O-CG 3.41Å; Y507-L510 PolarHBondContact O-N 3.11Å; Y507-P809 HydrophobicContact CD1-CB 4.29Å; Y507-P809 HydrophobicContact CD2-CB 4.38Å; Y507-P809 HydrophobicContact CE1-CB 3.91Å; Y507-P809 WeakPolarHBondContact CE1-O 3.26Å; Y507-P809 HydrophobicContact CE2-CB 3.97Å; Y507-P809 HydrophobicContact CE2-CG 4.48Å; Y507-P809 PolarHBondContact OH-O 3.45Å; Y507-P809 VanDerWaalsContact OH-O 3.12Å; Y507-L811 HydrophobicContact CD1-CD2 4.23Å; Y507-L811 HydrophobicContact CD1-CG 4.12Å |
| 508 | E | 85.2 | Confident | 77.8 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -50.2 | -33.8 | -176.9 | -172.5 | -167.6 | 172.7 | 0 | 0 | 113.8 | P458 D505 L510 N511 | P458-E508 WeakPolarHBondContact CD-OE1 3.42Å; P458-E508 HydrophobicContact CG-CG 3.93Å; D505-E508 HydrophobicContact CB-CB 4.34Å; D505-E508 WeakPolarHBondContact O-CB 3.31Å; D505-E508 PolarHBondContact O-N 2.79Å; D505-E508 VanDerWaalsContact O-N 3.14Å; D505-E508 PolarHBondContact OD2-N 3.24Å; E508-L510 PolarHBondContact O-N 2.95Å; E508-L510 VanDerWaalsContact O-N 3.1Å; E508-N511 VanDerWaalsContact O-CB 3.29Å; E508-N511 WeakPolarHBondContact O-CB 3.42Å; E508-N511 PolarHBondContact O-N 3.18Å |
| 509 | A | 85 | Confident | 78.5 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 28% | 0.281 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -58 | -26.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y507 N511 L512 K514 L811 | Y507-A509 PolarHBondContact O-N 2.86Å; A509-N511 VanDerWaalsContact C-N 3.28Å; A509-N511 PolarHBondContact O-N 2.91Å; A509-L512 PolarHBondContact O-N 2.85Å; A509-K514 HydrophobicContact CB-CB 4.35Å; A509-K514 WeakPolarHBondContact O-CB 3.3Å; A509-K514 PolarHBondContact O-N 3.33Å; A509-K514 VanDerWaalsContact O-N 3.11Å; A509-L811 HydrophobicContact CB-CD2 4.09Å |
| 510 | L | 88.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -64.7 | -32 | 173.6 | -61.3 | -176.2 | 0 | 0 | 0 | 112 | Y507 E508 L512 G513 V518 L811 | Y507-L510 VanDerWaalsContact O-CB 3.31Å; Y507-L510 WeakPolarHBondContact O-CB 3.38Å; Y507-L510 WeakPolarHBondContact O-CG 3.41Å; Y507-L510 PolarHBondContact O-N 3.11Å; E508-L510 PolarHBondContact O-N 2.95Å; E508-L510 VanDerWaalsContact O-N 3.1Å; L510-L512 PolarHBondContact O-N 3.08Å; L510-G513 PolarHBondContact O-N 3.19Å; L510-V518 HydrophobicContact CD1-CG1 3.93Å; L510-V518 HydrophobicContact CD1-CG2 4.42Å; L510-L811 HydrophobicContact CD2-CD2 3.84Å; L510-L811 HydrophobicContact CG-CD2 3.77Å |
| 511 | N | 90.4 | Very high | 81.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -67.8 | -24 | 177.6 | -60 | -27.6 | 0 | 0 | 0 | 112.4 | P458 G460 T461 G495 S496 E508 A509 G513 | P458-N511 HydrophobicContact CB-CB 3.86Å; P458-N511 HydrophobicContact CG-CB 3.98Å; P458-N511 WeakPolarHBondContact O-CB 3.32Å; P458-N511 PolarHBondContact O-ND2 3.43Å; G460-N511 CarbonylContact C-O 3.38Å; G460-N511 VanDerWaalsContact C-O 3.3Å; G460-N511 WeakPolarHBondContact CA-O 3.48Å; T461-N511 PolarHBondContact N-O 3.47Å; T461-N511 PolarHBondContact OG1-O 3.13Å; G495-N511 WeakPolarHBondContact CA-OD1 3.44Å; S496-N511 PolarHBondContact N-OD1 2.85Å; S496-N511 PolarHBondContact OG-ND2 3.33Å; S496-N511 PolarHBondContact OG-OD1 2.94Å; E508-N511 VanDerWaalsContact O-CB 3.29Å; E508-N511 WeakPolarHBondContact O-CB 3.42Å; E508-N511 PolarHBondContact O-N 3.18Å; A509-N511 VanDerWaalsContact C-N 3.28Å; A509-N511 PolarHBondContact O-N 2.91Å; N511-G513 VanDerWaalsContact C-N 3.26Å |
| 512 | L | 87.4 | Confident | 83 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -85.6 | 7.1 | 173.2 | -63.7 | 170.4 | 0 | 0 | 0 | 113 | K444 T446 F448 P458 T461 A509 L510 K514 | K444-L512 WeakPolarHBondContact CE-O 3.45Å; K444-L512 PolarHBondContact NZ-O 2.87Å; T446-L512 HydrophobicContact CG2-CD2 4.27Å; F448-L512 HydrophobicContact CE1-CD2 4.19Å; F448-L512 HydrophobicContact CZ-CD2 4Å; P458-L512 HydrophobicContact CB-CD2 3.62Å; P458-L512 HydrophobicContact CB-CG 4.02Å; P458-L512 HydrophobicContact CG-CD2 4.01Å; P458-L512 HydrophobicContact CG-CG 4.02Å; T461-L512 VanDerWaalsContact OG1-C 3.24Å; T461-L512 WeakPolarHBondContact OG1-CA 3.2Å; A509-L512 PolarHBondContact O-N 2.85Å; L510-L512 PolarHBondContact O-N 3.08Å; L512-K514 VanDerWaalsContact C-N 3.3Å; L512-K514 HydrophobicContact CB-CG 4.39Å; L512-K514 PolarHBondContact O-N 3.16Å |
| 513 | G | 83 | Confident | 85 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 15 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T461 L510 N511 G515 | T461-G513 PolarHBondContact OG1-N 3.12Å; L510-G513 PolarHBondContact O-N 3.19Å; N511-G513 VanDerWaalsContact C-N 3.26Å; G513-G515 PolarHBondContact O-N 2.99Å; G513-G515 VanDerWaalsContact O-N 3.16Å |
| 514 | K | 82.6 | Confident | 86.5 | Confident | 101 Ų | 101 | 39 Ų | 39 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -88.7 | 73.4 | 178.2 | -60.5 | 179.4 | 178.6 | 175 | 0 | 110.8 | A509 L512 L812 | A509-K514 HydrophobicContact CB-CB 4.35Å; A509-K514 WeakPolarHBondContact O-CB 3.3Å; A509-K514 PolarHBondContact O-N 3.33Å; A509-K514 VanDerWaalsContact O-N 3.11Å; L512-K514 VanDerWaalsContact C-N 3.3Å; L512-K514 HydrophobicContact CB-CG 4.39Å; L512-K514 PolarHBondContact O-N 3.16Å; K514-L812 HydrophobicContact CB-CD1 4.49Å |
| 515 | G | 81.3 | Confident | 87.9 | Confident | 24 Ų | 24 | 33.3 Ų | 33.3 | 25% | 0.247 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 124.4 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | G513 G517 | G513-G515 PolarHBondContact O-N 2.99Å; G513-G515 VanDerWaalsContact O-N 3.16Å; G515-G517 PolarHBondContact O-N 2.93Å |
| 516 | Q | 84.5 | Confident | 88.9 | Confident | 91 Ų | 91 | 30.5 Ų | 30.5 | 43% | 0.425 | 16% | 0.161 | S | C | . | . | trans | -76.7 | 112.7 | 177.1 | -170.7 | -179.4 | 38.8 | 0 | 0 | 110.1 | V518 | Q516-V518 WeakPolarHBondContact O-CG1 3.43Å; Q516-V518 PolarHBondContact O-N 2.96Å | ||
| 517 | G | 87.9 | Confident | 89.7 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 7% | 0.072 | 14% | 0.137 | C | C | . | . | trans | -56.8 | 131.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G495 G515 R779 | G495-G517 CarbonylContact O-C 3.47Å; G495-G517 WeakPolarHBondContact O-CA 3.36Å; G515-G517 PolarHBondContact O-N 2.93Å; G517-R779 PolarHBondContact O-NH1 2.86Å | ||
| 518 | V | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -99.2 | -23.4 | -170.9 | -51.8 | 0 | 0 | 0 | 0 | 113.1 | G495 P497 L510 Q516 W767 Y777 P809 | G495-V518 PolarHBondContact O-N 3.01Å; P497-V518 HydrophobicContact CB-CG2 4.47Å; P497-V518 HydrophobicContact CG-CG2 3.68Å; L510-V518 HydrophobicContact CD1-CG1 3.93Å; L510-V518 HydrophobicContact CD1-CG2 4.42Å; Q516-V518 WeakPolarHBondContact O-CG1 3.43Å; Q516-V518 PolarHBondContact O-N 2.96Å; V518-W767 HydrophobicContact CB-CH2 4.35Å; V518-W767 HydrophobicContact CG2-CH2 3.92Å; V518-W767 HydrophobicContact CG2-CZ2 4.39Å; V518-Y777 HydrophobicContact CB-CD1 4.15Å; V518-Y777 HydrophobicContact CB-CD2 4.1Å; V518-Y777 HydrophobicContact CB-CE1 3.75Å; V518-Y777 HydrophobicContact CB-CE2 3.67Å; V518-Y777 HydrophobicContact CB-CG 4.34Å; V518-Y777 VanDerWaalsContact CB-CZ 3.5Å; V518-Y777 HydrophobicContact CG1-CD1 4.32Å; V518-Y777 HydrophobicContact CG1-CE1 3.48Å; V518-Y777 VanDerWaalsContact CG1-CE1 3.48Å; V518-Y777 HydrophobicContact CG1-CE2 3.95Å; V518-Y777 WeakPolarHBondContact CG1-OH 3.44Å; V518-P809 HydrophobicContact CG1-CB 4.03Å; V518-P809 HydrophobicContact CG2-CB 4.31Å; V518-P809 HydrophobicContact CG2-CG 4.38Å | ||
| 519 | A | 91.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y494 G495 S496 W767 | Y494-A519 VanDerWaalsContact CA-O 3.28Å; Y494-A519 WeakPolarHBondContact CA-O 3.41Å; G495-A519 PolarHBondContact N-O 3.45Å; G495-A519 PolarHBondContact O-N 3.24Å; G495-A519 VanDerWaalsContact O-N 3.14Å; S496-A519 WeakPolarHBondContact O-CB 3.42Å; A519-W767 HydrophobicContact CB-CZ2 4.04Å |
| 520 | Y | 93.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.8 | 171.3 | 176 | -103.3 | 0 | 0 | 0 | 111 | D374 R498 G522 R523 G588 P762 | D374-Y520 HydrophobicContact CB-CE1 3.65Å; D374-Y520 PolarHBondContact OD2-OH 3.16Å; R498-Y520 PolarHBondContact NE-O 3.37Å; R498-Y520 PolarHBondContact NH2-O 3.31Å; Y520-G522 WeakPolarHBondContact CE2-O 3.23Å; Y520-G522 VanDerWaalsContact CZ-C 3.43Å; Y520-G522 VanDerWaalsContact CZ-CA 3.43Å; Y520-R523 HydrophobicContact CE2-CB 4.31Å; Y520-R523 WeakPolarHBondContact OH-CD 3.49Å; Y520-R523 VanDerWaalsContact OH-CG 3.32Å; Y520-R523 WeakPolarHBondContact OH-CG 3.47Å; Y520-G588 VanDerWaalsContact CD1-C 3.44Å; Y520-G588 VanDerWaalsContact CD1-CA 3.44Å; Y520-P762 HydrophobicContact CD2-CB 4.01Å; Y520-P762 HydrophobicContact CD2-CG 4.2Å; Y520-P762 HydrophobicContact CE2-CB 4.04Å; Y520-P762 HydrophobicContact CE2-CG 3.71Å |
| 521 | R | 92.5 | Very high | 90.9 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 5% | 0.045 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 19.2 | -175.3 | -57.5 | -66.2 | -72 | -176.2 | 1.2 | 112.2 | P376 M378 I459 L493 | P376-R521 WeakPolarHBondContact CD-O 3.48Å; P376-R521 HydrophobicContact CG-CB 4.37Å; P376-R521 VanDerWaalsContact CG-CZ 3.46Å; M378-R521 PolarHBondContact SD-NH2 2.88Å; I459-R521 WeakPolarHBondContact O-CB 3.36Å; I459-R521 PolarHBondContact O-NE 2.82Å; I459-R521 PolarHBondContact O-NH2 2.83Å; L493-R521 HydrophobicContact CB-CB 4.26Å; L493-R521 PolarHBondContact O-N 3.27Å |
| 522 | G | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.5 | -173.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E373 L493 Y520 | E373-G522 CarbonylContact O-C 3.38Å; E373-G522 WeakPolarHBondContact O-CA 3.31Å; L493-G522 WeakPolarHBondContact CA-O 3.4Å; L493-G522 VanDerWaalsContact CB-O 3.3Å; L493-G522 WeakPolarHBondContact CB-O 3.25Å; L493-G522 PolarHBondContact N-O 2.86Å; Y520-G522 WeakPolarHBondContact CE2-O 3.23Å; Y520-G522 VanDerWaalsContact CZ-C 3.43Å; Y520-G522 VanDerWaalsContact CZ-CA 3.43Å |
| 523 | R | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 152 | 177.6 | 63.5 | -175.6 | -168 | 152 | 7.2 | 111.4 | A372 E373 F490 I491 Y520 E636 S760 | A372-R523 CarbonylContact C-O 3.54Å; A372-R523 WeakPolarHBondContact CA-O 3.02Å; A372-R523 WeakPolarHBondContact CB-O 3.22Å; E373-R523 HydrophobicContact CG-CG 3.56Å; E373-R523 PolarHBondContact N-O 3.49Å; E373-R523 PolarHBondContact O-N 2.81Å; E373-R523 IonicContact OE1-CZ 3.65Å; E373-R523 IonicContact OE1-NE 3.73Å; E373-R523 PolarHBondContact OE1-NE 3.1Å; E373-R523 IonicContact OE1-NH2 2.63Å; E373-R523 PolarHBondContact OE1-NH2 2.99Å; F490-R523 HydrophobicContact CB-CB 4.47Å; F490-R523 HydrophobicContact CB-CG 4.48Å; F490-R523 HydrophobicContact CD1-CB 4.12Å; F490-R523 HydrophobicContact CD1-CG 3.59Å; F490-R523 HydrophobicContact CE1-CG 4.06Å; F490-R523 HydrophobicContact CG-CG 4.27Å; I491-R523 CarbonylContact O-C 3.55Å; I491-R523 WeakPolarHBondContact O-CA 3.43Å; I491-R523 WeakPolarHBondContact O-CB 3.43Å; Y520-R523 HydrophobicContact CE2-CB 4.31Å; Y520-R523 WeakPolarHBondContact OH-CD 3.49Å; Y520-R523 VanDerWaalsContact OH-CG 3.32Å; Y520-R523 WeakPolarHBondContact OH-CG 3.47Å; R523-E636 IonicContact CZ-OE2 2.64Å; R523-E636 VanDerWaalsContact NH1-CD 3.27Å; R523-E636 IonicContact NH1-OE1 3.54Å; R523-E636 PolarHBondContact NH1-OE1 2.87Å; R523-E636 IonicContact NH1-OE2 3.56Å; R523-E636 PolarHBondContact NH1-OE2 2.98Å; R523-E636 IonicContact NH2-OE2 3.98Å; R523-E636 PolarHBondContact NH2-OE2 3.24Å; R523-E636 VanDerWaalsContact NH2-OE2 3.09Å; R523-S760 PolarHBondContact NH1-O 2.69Å |
| 524 | V | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.6 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | L369 M371 A372 F447 F490 I491 L493 L526 | L369-V524 HydrophobicContact CD1-CG2 3.47Å; L369-V524 VanDerWaalsContact CD1-CG2 3.47Å; M371-V524 WeakPolarHBondContact O-CG2 3.41Å; A372-V524 HydrophobicContact CB-CB 4.17Å; A372-V524 HydrophobicContact CB-CG2 4.38Å; F447-V524 HydrophobicContact CE1-CB 4.48Å; F447-V524 HydrophobicContact CE1-CG2 4.26Å; F447-V524 HydrophobicContact CE2-CB 4.18Å; F447-V524 HydrophobicContact CE2-CG1 3.9Å; F447-V524 HydrophobicContact CZ-CB 3.75Å; F447-V524 HydrophobicContact CZ-CG1 3.85Å; F447-V524 HydrophobicContact CZ-CG2 3.68Å; F490-V524 CarbonylContact C-O 3.52Å; F490-V524 WeakPolarHBondContact CA-O 3.35Å; I491-V524 HydrophobicContact CB-CG1 4.08Å; I491-V524 PolarHBondContact N-O 3.14Å; I491-V524 PolarHBondContact O-N 3.08Å; L493-V524 HydrophobicContact CD2-CG1 4.35Å; V524-L526 HydrophobicContact CG1-CD2 4.18Å; V524-L526 HydrophobicContact CG2-CD2 4.46Å |
| 525 | L | 96.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.2 | 170.6 | -179.5 | 61.2 | 0 | 0 | 0 | 109.6 | Y370 M371 P488 F490 I552 L556 | Y370-L525 HydrophobicContact CD2-CG 4.16Å; Y370-L525 PolarHBondContact N-O 3.44Å; M371-L525 HydrophobicContact CG-CB 4.13Å; M371-L525 HydrophobicContact CG-CD2 4.41Å; M371-L525 PolarHBondContact O-N 2.92Å; P488-L525 HydrophobicContact CB-CD1 4.33Å; F490-L525 HydrophobicContact CD1-CB 3.79Å; F490-L525 HydrophobicContact CD2-CB 4.46Å; F490-L525 HydrophobicContact CD2-CD1 4.12Å; F490-L525 HydrophobicContact CE1-CB 3.58Å; F490-L525 HydrophobicContact CE2-CB 4.26Å; F490-L525 HydrophobicContact CE2-CD1 4.22Å; F490-L525 HydrophobicContact CE2-CD2 4.43Å; F490-L525 HydrophobicContact CG-CB 4.24Å; F490-L525 HydrophobicContact CG-CD1 4.41Å; F490-L525 HydrophobicContact CZ-CB 3.83Å; F490-L525 HydrophobicContact CZ-CD2 4.32Å; F490-L525 HydrophobicContact CZ-CG 4.48Å; L525-I552 HydrophobicContact CD2-CD1 3.81Å; L525-L556 HydrophobicContact CD2-CD2 3.78Å |
| 526 | L | 95.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 165.3 | 175.1 | 64.4 | 82.8 | 0 | 0 | 0 | 112 | L368 F445 I464 F486 P488 S489 I491 V524 | L368-L526 VanDerWaalsContact O-CA 3.24Å; L368-L526 WeakPolarHBondContact O-CA 3.39Å; L368-L526 WeakPolarHBondContact O-CB 3.39Å; F445-L526 HydrophobicContact CD1-CD2 3.81Å; F445-L526 HydrophobicContact CD2-CD2 4.32Å; F445-L526 HydrophobicContact CE1-CD2 3.61Å; F445-L526 HydrophobicContact CE2-CD2 4.13Å; F445-L526 HydrophobicContact CG-CD2 4.17Å; F445-L526 HydrophobicContact CZ-CD1 4.4Å; F445-L526 HydrophobicContact CZ-CD2 3.76Å; I464-L526 HydrophobicContact CD1-CD1 4.22Å; F486-L526 HydrophobicContact CD1-CD1 3.56Å; F486-L526 HydrophobicContact CE1-CD1 3.68Å; F486-L526 HydrophobicContact CE1-CG 4.34Å; P488-L526 WeakPolarHBondContact CA-O 3.34Å; S489-L526 PolarHBondContact N-O 2.88Å; S489-L526 VanDerWaalsContact N-O 3.09Å; S489-L526 PolarHBondContact O-N 3.14Å; I491-L526 HydrophobicContact CD1-CD1 4.08Å; I491-L526 HydrophobicContact CD1-CD2 3.85Å; I491-L526 HydrophobicContact CD1-CG 4.03Å; V524-L526 HydrophobicContact CG1-CD2 4.18Å; V524-L526 HydrophobicContact CG2-CD2 4.46Å |
| 527 | E | 96 | Very high | 88.8 | Confident | 25 Ų | 25 | 34.1 Ų | 34.1 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.3 | 170.4 | 175.6 | -177.7 | 172.8 | 0 | 0 | 108.2 | I367 L368 Y370 F486 P488 R551 | I367-E527 CarbonylContact C-O 3.53Å; I367-E527 WeakPolarHBondContact CA-O 3.45Å; L368-E527 HydrophobicContact CB-CB 4.2Å; L368-E527 PolarHBondContact N-O 3.38Å; L368-E527 PolarHBondContact O-N 3.41Å; Y370-E527 HydrophobicContact CE2-CB 3.97Å; Y370-E527 PolarHBondContact OH-OE2 2.77Å; Y370-E527 VanDerWaalsContact OH-OE2 3.04Å; F486-E527 CarbonylContact O-C 3.48Å; F486-E527 VanDerWaalsContact O-CA 3.29Å; F486-E527 WeakPolarHBondContact O-CA 3.33Å; P488-E527 HydrophobicContact CG-CB 4.31Å; P488-E527 HydrophobicContact CG-CG 4.4Å; P488-E527 WeakPolarHBondContact CG-OE2 3.48Å; E527-R551 IonicContact OE1-CZ 3.17Å; E527-R551 IonicContact OE1-NH2 3.29Å; E527-R551 PolarHBondContact OE1-NH2 3.14Å; E527-R551 IonicContact OE2-CZ 2.95Å; E527-R551 IonicContact OE2-NH2 3.48Å; E527-R551 PolarHBondContact OE2-NH2 3.28Å |
| 528 | L | 96 | Very high | 88.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.6 | 176.6 | 168.1 | 70.1 | 0 | 0 | 0 | 107.7 | F365 K366 I367 L443 I469 T485 F486 | F365-L528 HydrophobicContact CB-CD1 3.6Å; F365-L528 HydrophobicContact CD1-CD1 3.81Å; F365-L528 HydrophobicContact CD2-CD1 4.36Å; F365-L528 HydrophobicContact CG-CD1 3.69Å; K366-L528 WeakPolarHBondContact O-CA 3.13Å; I367-L528 HydrophobicContact CD1-CD1 4.46Å; I367-L528 HydrophobicContact CG1-CD1 3.62Å; L443-L528 HydrophobicContact CD2-CD2 3.84Å; I469-L528 HydrophobicContact CD1-CD2 3.45Å; I469-L528 VanDerWaalsContact CD1-CD2 3.45Å; T485-L528 WeakPolarHBondContact CA-O 3.33Å; F486-L528 HydrophobicContact CB-CB 4.13Å; F486-L528 PolarHBondContact N-O 3.22Å; F486-L528 PolarHBondContact O-N 3.01Å |
| 529 | S | 93.4 | Very high | 88.1 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.2 | 164.4 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | K366 | K366-S529 PolarHBondContact N-O 2.83Å; K366-S529 PolarHBondContact O-N 3.11Å |
| 530 | T | 91.5 | Very high | 87.9 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.5 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | A363 I364 F365 F436 L483 P484 | A363-T530 HydrophobicContact CB-CG2 4.42Å; I364-T530 WeakPolarHBondContact O-CA 3.2Å; F365-T530 HydrophobicContact CD1-CG2 4.21Å; F365-T530 WeakPolarHBondContact CD1-OG1 3.15Å; F365-T530 HydrophobicContact CE1-CG2 4.15Å; F365-T530 WeakPolarHBondContact CE1-OG1 3.26Å; F436-T530 HydrophobicContact CD2-CG2 4.27Å; L483-T530 HydrophobicContact CB-CG2 4.35Å; L483-T530 HydrophobicContact CD1-CG2 4.37Å; P484-T530 WeakPolarHBondContact CB-OG1 3.43Å; P484-T530 WeakPolarHBondContact O-CB 3.21Å; P484-T530 PolarHBondContact O-N 3.23Å; P484-T530 PolarHBondContact O-OG1 3.19Å |
| 531 | E | 88.8 | Confident | 87.8 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.3 | 172.6 | -68.9 | 177.9 | -165.7 | 0 | 0 | 110 | A363 I364 K366 | A363-E531 CarbonylContact C-O 3.55Å; A363-E531 WeakPolarHBondContact CA-O 3.23Å; A363-E531 WeakPolarHBondContact CB-O 3.5Å; I364-E531 HydrophobicContact CD1-CB 4.29Å; I364-E531 HydrophobicContact CG1-CB 3.86Å; I364-E531 PolarHBondContact N-O 3.25Å; I364-E531 PolarHBondContact O-N 3.41Å; K366-E531 WeakPolarHBondContact CD-OE1 3.37Å; K366-E531 VanDerWaalsContact CE-OE1 3.27Å; K366-E531 WeakPolarHBondContact CE-OE1 3.14Å; K366-E531 WeakPolarHBondContact CE-OE2 3.21Å; K366-E531 IonicContact NZ-OE1 2.79Å; K366-E531 PolarHBondContact NZ-OE1 3.32Å; K366-E531 IonicContact NZ-OE2 3.35Å; K366-E531 PolarHBondContact NZ-OE2 2.83Å |
| 532 | L | 84.2 | Confident | 87.8 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130 | 173.2 | -57.1 | -179.9 | 0 | 0 | 0 | 109 | R361 A363 F436 L483 | R361-L532 HydrophobicContact CG-CB 4.46Å; A363-L532 HydrophobicContact CB-CD2 3.87Å; F436-L532 HydrophobicContact CB-CD2 3.92Å; F436-L532 HydrophobicContact CD1-CD2 3.69Å; F436-L532 HydrophobicContact CE1-CD2 4.5Å; F436-L532 HydrophobicContact CG-CD2 3.84Å; L483-L532 HydrophobicContact CD1-CD1 4.08Å; L483-L532 HydrophobicContact CD1-CD2 4.27Å; L483-L532 HydrophobicContact CD1-CG 3.84Å; L483-L532 HydrophobicContact CD2-CD1 4.43Å; L483-L532 HydrophobicContact CD2-CD2 4.46Å |
| 533 | L | 82.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | trans | -113.9 | 167 | -176.9 | -57.3 | 178.8 | 0 | 0 | 0 | 111 | R361 P362 I364 T537 | R361-L533 WeakPolarHBondContact CG-O 3.24Å; R361-L533 PolarHBondContact NE-O 2.89Å; P362-L533 HydrophobicContact CB-CB 4.48Å; P362-L533 WeakPolarHBondContact O-CA 3.31Å; P362-L533 PolarHBondContact O-N 2.98Å; I364-L533 HydrophobicContact CB-CD1 4.38Å; I364-L533 HydrophobicContact CD1-CD1 4.15Å; I364-L533 HydrophobicContact CD1-CD2 4.36Å; I364-L533 HydrophobicContact CG1-CD1 4.03Å; I364-L533 HydrophobicContact CG1-CD2 4.48Å; I364-L533 HydrophobicContact CG1-CG 4.29Å; I364-L533 HydrophobicContact CG2-CD1 3.61Å; L533-T537 VanDerWaalsContact CD1-OG1 3.29Å; L533-T537 WeakPolarHBondContact CD1-OG1 3.25Å | ||
| 534 | D | 74.8 | Confident | 87.5 | Confident | 137 Ų | 137 | 56.9 Ų | 56.9 | 73% | 0.733 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -95.5 | -30.3 | 172.1 | -58.2 | -28 | 0 | 0 | 0 | 111.3 | R361 | R361-D534 IonicContact CZ-OD1 2.82Å; R361-D534 IonicContact NE-OD1 2.81Å; R361-D534 IonicContact NH2-OD1 3.02Å; R361-D534 PolarHBondContact NH2-OD1 2.77Å |
| 535 | E | 74.9 | Confident | 87.1 | Confident | 155 Ų | 155 | 62.5 Ų | 62.5 | 72% | 0.724 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -128.2 | 146.6 | 175.7 | -67.7 | -172.3 | 174.1 | 0 | 0 | 111.8 | T537 | E535-T537 PolarHBondContact O-N 2.58Š|
| 536 | P | 72.2 | Confident | 86.7 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 57% | 0.571 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 133.3 | 178.7 | 26.5 | -33 | 0 | 0 | 0 | 111.6 | P362 N433 | P362-P536 HydrophobicContact CB-CB 4.33Å; N433-P536 WeakPolarHBondContact ND2-CB 3.08Å |
| 537 | T | 76.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 75.1 Ų | 75.1 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -98.5 | 153 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | N433 L533 E535 | N433-T537 WeakPolarHBondContact CB-O 3.38Å; N433-T537 VanDerWaalsContact CG-O 3.3Å; N433-T537 PolarHBondContact ND2-O 2.85Å; L533-T537 VanDerWaalsContact CD1-OG1 3.29Å; L533-T537 WeakPolarHBondContact CD1-OG1 3.25Å; E535-T537 PolarHBondContact O-N 2.58Å |
| 538 | A | 78.4 | Confident | 85.9 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 65% | 0.653 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 145.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L540 | A538-L540 PolarHBondContact O-N 3.06Š|
| 539 | D | 84.2 | Confident | 85.5 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 40% | 0.401 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 131.2 | 171.3 | -64.8 | -26.3 | 0 | 0 | 0 | 109.5 | I413 T431 N433 | I413-D539 HydrophobicContact CD1-CB 3.78Å; I413-D539 HydrophobicContact CG1-CB 4.42Å; T431-D539 WeakPolarHBondContact O-CA 3.25Å; N433-D539 WeakPolarHBondContact CB-OD1 3.44Å; N433-D539 PolarHBondContact N-OD1 2.9Å |
| 540 | L | 87.5 | Confident | 85.2 | Confident | 94 Ų | 94 | 79.1 Ų | 79.1 | 49% | 0.492 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 142.4 | -174.2 | -176.4 | 69 | 0 | 0 | 0 | 110.4 | T431 A538 K542 | T431-L540 PolarHBondContact N-O 2.79Å; T431-L540 PolarHBondContact O-N 3.3Å; T431-L540 VanDerWaalsContact O-N 3.12Å; A538-L540 PolarHBondContact O-N 3.06Å; L540-K542 HydrophobicContact CD2-CB 4.42Å; L540-K542 HydrophobicContact CD2-CD 4.29Å |
| 541 | V | 91.7 | Very high | 85 | Confident | 51 Ų | 51 | 84.6 Ų | 84.6 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.4 | 165.8 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | I413 E428 E429 I430 | I413-V541 HydrophobicContact CG2-CG2 3.52Å; E428-V541 HydrophobicContact CB-CG1 4.15Å; E428-V541 HydrophobicContact CG-CG1 4.39Å; E429-V541 WeakPolarHBondContact O-CA 3.17Å; I430-V541 HydrophobicContact CG1-CG1 4.23Å; I430-V541 HydrophobicContact CG1-CG2 4.18Å |
| 542 | K | 92.3 | Very high | 85 | Confident | 81 Ų | 81 | 81.2 Ų | 81.2 | 35% | 0.352 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156 | 178.3 | 65.9 | 177.6 | -179.7 | -175.2 | 0 | 111.2 | E428 E429 L540 | E428-K542 CarbonylContact C-O 3.45Å; E428-K542 WeakPolarHBondContact CA-O 3.29Å; E429-K542 HydrophobicContact CB-CG 3.99Å; E429-K542 PolarHBondContact N-O 3.13Å; E429-K542 PolarHBondContact O-N 3.03Å; E429-K542 WeakPolarHBondContact OE1-CE 3.16Å; E429-K542 IonicContact OE1-NZ 3.31Å; E429-K542 PolarHBondContact OE1-NZ 3.37Å; E429-K542 IonicContact OE2-NZ 3.95Å; L540-K542 HydrophobicContact CD2-CB 4.42Å; L540-K542 HydrophobicContact CD2-CD 4.29Å |
| 543 | P | 93 | Very high | 85.1 | Confident | 107 Ų | 107 | 83.7 Ų | 83.7 | 70% | 0.695 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 145 | 171.9 | -21.6 | 33.5 | 0 | 0 | 0 | 112.3 | ||
| 544 | L | 90.6 | Very high | 85.1 | Confident | 21 Ų | 21 | 87.9 Ų | 87.9 | 11% | 0.11 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -74 | 149.9 | 174.1 | -73.6 | 171.9 | 0 | 0 | 0 | 112 | L368 Y370 N427 E429 K548 V549 | L368-L544 HydrophobicContact CB-CD1 4.25Å; L368-L544 HydrophobicContact CB-CD2 4.11Å; L368-L544 HydrophobicContact CD2-CD2 4.03Å; L368-L544 HydrophobicContact CG-CD2 3.79Å; Y370-L544 HydrophobicContact CD1-CD1 3.8Å; Y370-L544 HydrophobicContact CE1-CD1 3.7Å; N427-L544 HydrophobicContact CB-CB 4.43Å; N427-L544 HydrophobicContact CB-CD1 4.35Å; N427-L544 WeakPolarHBondContact O-CB 3.42Å; N427-L544 PolarHBondContact O-N 2.59Å; E429-L544 HydrophobicContact CB-CD2 3.75Å; E429-L544 HydrophobicContact CG-CD2 4.46Å; L544-K548 HydrophobicContact CD2-CD 4.13Å; L544-V549 HydrophobicContact CB-CG2 4.08Å |
| 545 | E | 89.1 | Confident | 85.6 | Confident | 118 Ų | 118 | 82 Ų | 82 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -70 | 143.2 | 172 | -61.9 | 174.3 | 159.2 | 0 | 0 | 111 | D547 K548 V549 | E545-D547 WeakPolarHBondContact CB-OD1 3.45Å; E545-D547 PolarHBondContact O-N 3.34Å; E545-K548 PolarHBondContact O-N 2.7Å; E545-K548 VanDerWaalsContact O-N 3.15Å; E545-V549 PolarHBondContact O-N 2.74Å |
| 546 | Q | 87.5 | Confident | 86.2 | Confident | 165 Ų | 165 | 76.5 Ų | 76.5 | 77% | 0.771 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.4 | -29.8 | -172.1 | -161.9 | 86.5 | 28.3 | 0 | 0 | 113 | V549 A550 | Q546-V549 PolarHBondContact O-N 3.17Å; Q546-A550 WeakPolarHBondContact O-CB 3.43Å; Q546-A550 PolarHBondContact O-N 2.84Å |
| 547 | D | 88.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 80.1 Ų | 80.1 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.6 | -41.3 | 176.7 | 63.9 | -30 | 0 | 0 | 0 | 112.1 | E545 V549 A550 R551 | E545-D547 WeakPolarHBondContact CB-OD1 3.45Å; E545-D547 PolarHBondContact O-N 3.34Å; D547-V549 VanDerWaalsContact C-N 3.32Å; D547-V549 PolarHBondContact O-N 2.92Å; D547-A550 PolarHBondContact O-N 2.77Å; D547-R551 PolarHBondContact O-N 2.94Å |
| 548 | K | 86.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 173 | -64 | -172.8 | -177.1 | -174.3 | 0 | 111.5 | L368 E429 L544 E545 R551 | L368-K548 HydrophobicContact CD2-CD 3.9Å; E429-K548 IonicContact OE2-NZ 3.19Å; E429-K548 PolarHBondContact OE2-NZ 3.01Å; L544-K548 HydrophobicContact CD2-CD 4.13Å; E545-K548 PolarHBondContact O-N 2.7Å; E545-K548 VanDerWaalsContact O-N 3.15Å; K548-R551 WeakPolarHBondContact O-CB 3.19Å; K548-R551 PolarHBondContact O-N 3.09Å |
| 549 | V | 88.2 | Confident | 88.5 | Confident | 23 Ų | 23 | 80.5 Ų | 80.5 | 14% | 0.139 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | N427 L544 E545 Q546 D547 R551 I552 | N427-V549 HydrophobicContact CB-CG2 4.06Å; L544-V549 HydrophobicContact CB-CG2 4.08Å; E545-V549 PolarHBondContact O-N 2.74Å; Q546-V549 PolarHBondContact O-N 3.17Å; D547-V549 VanDerWaalsContact C-N 3.32Å; D547-V549 PolarHBondContact O-N 2.92Å; V549-R551 VanDerWaalsContact C-N 3.33Å; V549-R551 PolarHBondContact O-N 3.02Å; V549-I552 WeakPolarHBondContact O-CG1 3.19Å |
| 550 | A | 88.1 | Confident | 88.9 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.1 | -34.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q546 D547 I552 Q553 | Q546-A550 WeakPolarHBondContact O-CB 3.43Å; Q546-A550 PolarHBondContact O-N 2.84Å; D547-A550 PolarHBondContact O-N 2.77Å; A550-I552 VanDerWaalsContact C-N 3.33Å; A550-I552 PolarHBondContact O-N 2.85Å; A550-Q553 WeakPolarHBondContact O-CB 3.06Å; A550-Q553 WeakPolarHBondContact O-CG 3.39Å; A550-Q553 PolarHBondContact O-N 2.81Å |
| 551 | R | 87 | Confident | 89.2 | Confident | 130 Ų | 130 | 78 Ų | 78 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 178.9 | -175.7 | -179.6 | 69.1 | 173.4 | 2.7 | 112.5 | E527 D547 K548 V549 Q553 | E527-R551 IonicContact OE1-CZ 3.17Å; E527-R551 IonicContact OE1-NH2 3.29Å; E527-R551 PolarHBondContact OE1-NH2 3.14Å; E527-R551 IonicContact OE2-CZ 2.95Å; E527-R551 IonicContact OE2-NH2 3.48Å; E527-R551 PolarHBondContact OE2-NH2 3.28Å; D547-R551 PolarHBondContact O-N 2.94Å; K548-R551 WeakPolarHBondContact O-CB 3.19Å; K548-R551 PolarHBondContact O-N 3.09Å; V549-R551 VanDerWaalsContact C-N 3.33Å; V549-R551 PolarHBondContact O-N 3.02Å; R551-Q553 VanDerWaalsContact C-N 3.26Å; R551-Q553 PolarHBondContact O-N 2.78Å |
| 552 | I | 87.9 | Confident | 89.3 | Confident | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -74.8 | -11.5 | -175.4 | 63.5 | 141.3 | 0 | 0 | 0 | 114.2 | Y370 P488 L525 V549 A550 K554 S555 L556 | Y370-I552 HydrophobicContact CD1-CD1 3.64Å; Y370-I552 HydrophobicContact CD1-CG1 4.08Å; Y370-I552 HydrophobicContact CD1-CG2 4.15Å; Y370-I552 HydrophobicContact CD2-CG2 4.33Å; Y370-I552 HydrophobicContact CE1-CB 4.5Å; Y370-I552 HydrophobicContact CE1-CD1 4.2Å; Y370-I552 HydrophobicContact CE1-CG1 4.14Å; Y370-I552 HydrophobicContact CE1-CG2 3.61Å; Y370-I552 HydrophobicContact CE2-CG2 3.81Å; Y370-I552 HydrophobicContact CG-CD1 3.88Å; Y370-I552 HydrophobicContact CG-CG2 4.47Å; Y370-I552 VanDerWaalsContact CZ-CG2 3.41Å; P488-I552 HydrophobicContact CB-CG2 4.22Å; P488-I552 HydrophobicContact CG-CG2 4.12Å; L525-I552 HydrophobicContact CD2-CD1 3.81Å; V549-I552 WeakPolarHBondContact O-CG1 3.19Å; A550-I552 VanDerWaalsContact C-N 3.33Å; A550-I552 PolarHBondContact O-N 2.85Å; I552-K554 PolarHBondContact O-N 3.41Å; I552-S555 WeakPolarHBondContact O-CA 3.27Å; I552-S555 WeakPolarHBondContact O-CB 3.22Å; I552-S555 PolarHBondContact O-N 2.88Å; I552-L556 HydrophobicContact CD1-CD1 4.32Å; I552-L556 PolarHBondContact O-N 2.79Å |
| 553 | Q | 86.2 | Confident | 89.4 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -56.9 | -29.4 | -179.1 | -66 | -62.5 | -47.6 | 0 | 0 | 112.7 | A550 R551 | A550-Q553 WeakPolarHBondContact O-CB 3.06Å; A550-Q553 WeakPolarHBondContact O-CG 3.39Å; A550-Q553 PolarHBondContact O-N 2.81Å; R551-Q553 VanDerWaalsContact C-N 3.26Å; R551-Q553 PolarHBondContact O-N 2.78Å |
| 554 | K | 82.8 | Confident | 89.5 | Confident | 122 Ų | 122 | 68 Ų | 68 | 53% | 0.53 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -72 | -32.4 | 174.3 | -67.1 | -178.7 | -178.2 | 177.5 | 0 | 112.8 | I552 L556 R557 P703 | I552-K554 PolarHBondContact O-N 3.41Å; K554-L556 VanDerWaalsContact C-N 3.25Å; K554-L556 PolarHBondContact O-N 2.85Å; K554-R557 WeakPolarHBondContact O-CB 3.34Å; K554-R557 WeakPolarHBondContact O-CG 3.44Å; K554-R557 PolarHBondContact O-N 2.85Å; K554-P703 HydrophobicContact CB-CG 3.53Å; K554-P703 HydrophobicContact CD-CG 4.36Å |
| 555 | S | 85.2 | Confident | 89.8 | Confident | 15 Ų | 15 | 67 Ų | 67 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.7 | 178.1 | -51.7 | 0 | 0 | 0 | 0 | 113.1 | I552 | I552-S555 WeakPolarHBondContact O-CA 3.27Å; I552-S555 WeakPolarHBondContact O-CB 3.22Å; I552-S555 PolarHBondContact O-N 2.88Å |
| 556 | L | 87.8 | Confident | 90 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -2.2 | 174.7 | -64.6 | 175.9 | 0 | 0 | 0 | 113.4 | M371 F490 L525 I552 K554 R558 | M371-L556 HydrophobicContact SD-CD1 4.22Å; M371-L556 HydrophobicContact SD-CD2 4.01Å; F490-L556 HydrophobicContact CE2-CD2 4.15Å; F490-L556 HydrophobicContact CZ-CD2 3.98Å; L525-L556 HydrophobicContact CD2-CD2 3.78Å; I552-L556 HydrophobicContact CD1-CD1 4.32Å; I552-L556 PolarHBondContact O-N 2.79Å; K554-L556 VanDerWaalsContact C-N 3.25Å; K554-L556 PolarHBondContact O-N 2.85Å; L556-R558 PolarHBondContact O-N 3.1Å |
| 557 | R | 90 | Very high | 90.4 | Very high | 164 Ų | 164 | 53.6 Ų | 53.6 | 62% | 0.619 | 25% | 0.245 | S | C | * | . | trans | -66.9 | 124.7 | 177.7 | -68.8 | 175.9 | 178.9 | -170.8 | -3 | 109.8 | K554 | K554-R557 WeakPolarHBondContact O-CB 3.34Å; K554-R557 WeakPolarHBondContact O-CG 3.44Å; K554-R557 PolarHBondContact O-N 2.85Å | ||
| 558 | R | 92.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 50.6 Ų | 50.6 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 151.7 | 179.5 | -55 | -176.9 | -164 | -157 | -0.1 | 111.2 | E373 L556 Q634 W635 | E373-R558 IonicContact OE1-CZ 3.64Å; E373-R558 IonicContact OE1-NH1 3.83Å; E373-R558 PolarHBondContact OE1-NH1 2.88Å; E373-R558 VanDerWaalsContact OE1-NH1 3.17Å; E373-R558 IonicContact OE1-NH2 2.84Å; E373-R558 PolarHBondContact OE1-NH2 3.34Å; E373-R558 IonicContact OE2-CZ 2.67Å; E373-R558 IonicContact OE2-NH2 3Å; E373-R558 PolarHBondContact OE2-NH2 3.2Å; L556-R558 PolarHBondContact O-N 3.1Å; R558-Q634 HydrophobicContact CB-CB 4.14Å; R558-W635 CarbonylContact C-O 3.56Å; R558-W635 WeakPolarHBondContact CA-O 3.23Å |
| 559 | R | 92.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 49 Ų | 49 | 23% | 0.23 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 159.1 | 167.5 | -58.4 | -173.2 | 79.7 | 160.8 | 14.6 | 109.3 | Y561 Q634 W635 D637 E700 L834 | R559-Y561 HydrophobicContact CB-CE2 4.29Å; R559-Q634 VanDerWaalsContact O-CA 3.24Å; R559-Q634 WeakPolarHBondContact O-CA 3.4Å; R559-W635 PolarHBondContact N-O 2.78Å; R559-W635 PolarHBondContact O-N 3.26Å; R559-D637 WeakPolarHBondContact CD-OD2 3.15Å; R559-D637 HydrophobicContact CG-CB 4.17Å; R559-D637 IonicContact CZ-OD2 2.82Å; R559-D637 IonicContact NE-OD2 3.71Å; R559-D637 IonicContact NH1-OD2 2.74Å; R559-D637 PolarHBondContact NH1-OD2 3.21Å; R559-E700 IonicContact CZ-OE2 3.23Å; R559-E700 IonicContact NH1-OE2 3.28Å; R559-E700 PolarHBondContact NH1-OE2 3.08Å; R559-E700 IonicContact NH2-OE2 3.01Å; R559-E700 PolarHBondContact NH2-OE2 2.94Å; R559-L834 HydrophobicContact CB-CD2 3.71Å; R559-L834 HydrophobicContact CG-CD2 4.45Å |
| 560 | K | 92.5 | Very high | 91.2 | Very high | 112 Ų | 112 | 47.9 Ų | 47.9 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126.1 | 175.3 | -66.8 | 175.1 | 174.9 | -177.1 | 0 | 109.8 | Q634 E835 | K560-Q634 HydrophobicContact CG-CG 4.14Å; K560-E835 HydrophobicContact CB-CB 3.95Å; K560-E835 WeakPolarHBondContact CD-OE2 3.17Å; K560-E835 IonicContact NZ-OE2 2.65Å; K560-E835 PolarHBondContact O-N 2.81Å |
| 561 | Y | 94.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 148.5 | 173.6 | -77.3 | -97.2 | 0 | 0 | 0 | 109.8 | R559 S633 W635 L786 F832 G833 L834 | R559-Y561 HydrophobicContact CB-CE2 4.29Å; Y561-S633 PolarHBondContact N-O 2.69Å; Y561-S633 PolarHBondContact O-N 2.88Å; Y561-S633 VanDerWaalsContact O-O 3.1Å; Y561-W635 HydrophobicContact CD2-CB 3.97Å; Y561-W635 AromaticContact CD2-CD1 3.98Å; Y561-W635 HydrophobicContact CD2-CG 4.41Å; Y561-W635 HydrophobicContact CE2-CB 3.99Å; Y561-L786 HydrophobicContact CE1-CD1 4.28Å; Y561-F832 AromaticContact CD1-CE1 3.94Å; Y561-F832 HydrophobicContact CD1-CE1 3.94Å; Y561-F832 AromaticContact CD1-CE2 3.95Å; Y561-F832 HydrophobicContact CD1-CE2 3.95Å; Y561-F832 AromaticContact CD1-CZ 3.57Å; Y561-F832 HydrophobicContact CD1-CZ 3.57Å; Y561-F832 HydrophobicContact CE1-CE1 4.27Å; Y561-F832 HydrophobicContact CE1-CZ 4.25Å; Y561-F832 HydrophobicContact CG-CE2 4.09Å; Y561-F832 AromaticContact CG-CZ 3.85Å; Y561-F832 HydrophobicContact CG-CZ 3.85Å; Y561-G833 CarbonylContact C-O 3.53Å; Y561-G833 VanDerWaalsContact CA-O 3.27Å; Y561-G833 WeakPolarHBondContact CA-O 3.45Å; Y561-G833 WeakPolarHBondContact CD1-O 3.47Å; Y561-L834 HydrophobicContact CD1-CD2 4.18Å; Y561-L834 HydrophobicContact CD2-CD2 4.08Å; Y561-L834 HydrophobicContact CE1-CD2 3.74Å; Y561-L834 HydrophobicContact CE1-CG 4.02Å; Y561-L834 HydrophobicContact CE2-CD2 3.63Å; Y561-L834 HydrophobicContact CG-CD2 4.33Å; Y561-L834 VanDerWaalsContact CZ-CD2 3.45Å |
| 562 | Q | 93.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.7 | 171.3 | -62.5 | -164.1 | -47.5 | 0 | 0 | 109.8 | Y564 D632 W831 F832 G833 E835 | Q562-Y564 HydrophobicContact CB-CD2 4.33Å; Q562-Y564 HydrophobicContact CB-CE2 3.79Å; Q562-Y564 PolarHBondContact OE1-OH 3.4Å; Q562-Y564 VanDerWaalsContact OE1-OH 3.08Å; Q562-D632 PolarHBondContact NE2-OD1 3.07Å; Q562-W831 HydrophobicContact CB-CZ3 4.31Å; Q562-W831 WeakPolarHBondContact O-CZ3 3.46Å; Q562-F832 WeakPolarHBondContact O-CA 3.42Å; Q562-G833 PolarHBondContact N-O 2.98Å; Q562-G833 PolarHBondContact O-N 3.32Å; Q562-G833 VanDerWaalsContact O-N 3.08Å; Q562-E835 HydrophobicContact CG-CB 4.26Å; Q562-E835 HydrophobicContact CG-CG 4.32Å |
| 563 | L | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118 | 172.1 | 170.9 | 63.2 | 0 | 0 | 0 | 108.7 | V565 I585 I587 M630 V631 I764 V830 W831 F832 | L563-V565 HydrophobicContact CD1-CG2 4.02Å; L563-V565 HydrophobicContact CG-CG2 4.16Å; L563-I585 HydrophobicContact CD2-CG2 3.46Å; L563-I585 VanDerWaalsContact CD2-CG2 3.46Å; L563-I585 HydrophobicContact CG-CG2 4.24Å; L563-I587 HydrophobicContact CD2-CB 4.4Å; L563-I587 HydrophobicContact CD2-CG2 4.27Å; L563-M630 VanDerWaalsContact O-CA 3.3Å; L563-M630 WeakPolarHBondContact O-CA 3.4Å; L563-V631 HydrophobicContact CB-CB 4.23Å; L563-V631 HydrophobicContact CD2-CB 4.45Å; L563-V631 PolarHBondContact N-O 3.46Å; L563-V631 PolarHBondContact O-N 2.6Å; L563-I764 HydrophobicContact CD1-CD1 3.68Å; L563-I764 HydrophobicContact CD1-CG1 4.24Å; L563-I764 HydrophobicContact CD2-CB 4.49Å; L563-I764 HydrophobicContact CD2-CD1 4.31Å; L563-I764 HydrophobicContact CD2-CG1 3.93Å; L563-I764 HydrophobicContact CD2-CG2 3.8Å; L563-V830 HydrophobicContact CD1-CG1 3.92Å; L563-W831 CarbonylContact C-O 3.37Å; L563-W831 WeakPolarHBondContact CA-O 3.12Å; L563-F832 HydrophobicContact CB-CD2 4.01Å; L563-F832 HydrophobicContact CD1-CB 4.11Å; L563-F832 HydrophobicContact CD1-CD2 4.42Å |
| 564 | Y | 94.4 | Very high | 91.3 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.4 | 170.9 | -69.8 | -90.6 | 0 | 0 | 0 | 109.8 | Q562 T629 M630 W831 W841 L850 | Q562-Y564 HydrophobicContact CB-CD2 4.33Å; Q562-Y564 HydrophobicContact CB-CE2 3.79Å; Q562-Y564 PolarHBondContact OE1-OH 3.4Å; Q562-Y564 VanDerWaalsContact OE1-OH 3.08Å; Y564-T629 WeakPolarHBondContact CA-O 3Å; Y564-M630 HydrophobicContact CD1-CB 4.15Å; Y564-M630 HydrophobicContact CD1-CG 4.15Å; Y564-M630 HydrophobicContact CE1-CB 3.96Å; Y564-M630 HydrophobicContact CE1-CG 3.64Å; Y564-M630 HydrophobicContact CE1-SD 4.07Å; Y564-M630 HydrophobicContact CE2-CG 4.42Å; Y564-W831 AromaticContact CD2-CE3 3.78Å; Y564-W831 HydrophobicContact CD2-CE3 3.78Å; Y564-W831 HydrophobicContact CD2-CZ3 4.12Å; Y564-W831 HydrophobicContact CE2-CE3 4.48Å; Y564-W831 HydrophobicContact CE2-CZ3 4.38Å; Y564-W831 PolarHBondContact N-O 2.98Å; Y564-W831 PolarHBondContact O-N 3.18Å; Y564-W841 AromaticContact CD1-CD1 3.88Å; Y564-W841 HydrophobicContact CD1-CD2 4.48Å; Y564-W841 AromaticContact CD1-CE2 3.98Å; Y564-W841 HydrophobicContact CD1-CG 4.43Å; Y564-W841 AromaticContact CD1-NE1 3.57Å; Y564-W841 HydrophobicContact CD2-CB 4.44Å; Y564-W841 HydrophobicContact CD2-CD2 4.37Å; Y564-W841 HydrophobicContact CD2-CG 4.04Å; Y564-W841 AromaticContact CG-CD1 3.88Å; Y564-W841 AromaticContact CG-CD2 3.95Å; Y564-W841 HydrophobicContact CG-CD2 3.95Å; Y564-W841 AromaticContact CG-CE2 3.86Å; Y564-W841 AromaticContact CG-CG 3.99Å; Y564-W841 HydrophobicContact CG-CG 3.99Å; Y564-W841 HydrophobicContact CG-CZ2 4.45Å; Y564-W841 AromaticContact CG-NE1 3.8Å; Y564-L850 HydrophobicContact CE1-CD1 4.38Å |
| 565 | V | 95.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 112.9 | 172 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | L563 F567 I585 C628 T629 V828 V829 V830 | L563-V565 HydrophobicContact CD1-CG2 4.02Å; L563-V565 HydrophobicContact CG-CG2 4.16Å; V565-F567 HydrophobicContact CB-CE2 4.18Å; V565-F567 HydrophobicContact CG1-CD2 4.11Å; V565-F567 HydrophobicContact CG1-CE2 3.72Å; V565-F567 HydrophobicContact CG1-CZ 4.09Å; V565-I585 HydrophobicContact CB-CD1 4.33Å; V565-I585 HydrophobicContact CB-CG1 4.11Å; V565-I585 HydrophobicContact CG1-CD1 4.14Å; V565-I585 HydrophobicContact CG1-CG1 4.37Å; V565-I585 HydrophobicContact CG2-CD1 4.12Å; V565-I585 HydrophobicContact CG2-CG1 4.04Å; V565-I585 HydrophobicContact CG2-CG2 3.89Å; V565-C628 CarbonylContact O-C 3.56Å; V565-C628 VanDerWaalsContact O-CA 3.29Å; V565-C628 WeakPolarHBondContact O-CA 3.47Å; V565-T629 WeakPolarHBondContact CB-OG1 3.48Å; V565-T629 PolarHBondContact N-O 2.95Å; V565-T629 PolarHBondContact O-N 3.11Å; V565-V828 HydrophobicContact CG1-CB 4.15Å; V565-V828 HydrophobicContact CG1-CG1 4.3Å; V565-V829 CarbonylContact C-O 3.55Å; V565-V829 VanDerWaalsContact CA-O 3.31Å; V565-V829 WeakPolarHBondContact CA-O 3.49Å; V565-V830 HydrophobicContact CG1-CG2 4.1Å; V565-V830 HydrophobicContact CG2-CG1 4.17Å; V565-V830 HydrophobicContact CG2-CG2 4.31Å |
| 566 | A | 94.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V828 V829 W841 M1127 | A566-V828 CarbonylContact O-C 3.43Å; A566-V828 WeakPolarHBondContact O-CA 3.26Å; A566-V829 HydrophobicContact CB-CB 4.33Å; A566-V829 PolarHBondContact N-O 3.2Å; A566-V829 PolarHBondContact O-N 2.82Å; A566-W841 HydrophobicContact CB-CH2 3.94Å; A566-W841 HydrophobicContact CB-CZ2 4.24Å; A566-M1127 HydrophobicContact CB-CG 4.19Å |
| 567 | F | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 102.9 | 179.8 | -69.2 | -102.6 | 0 | 0 | 0 | 110.2 | V565 F583 I585 T605 W622 K626 P627 T629 I766 L826 V828 | V565-F567 HydrophobicContact CB-CE2 4.18Å; V565-F567 HydrophobicContact CG1-CD2 4.11Å; V565-F567 HydrophobicContact CG1-CE2 3.72Å; V565-F567 HydrophobicContact CG1-CZ 4.09Å; F567-F583 HydrophobicContact CD1-CB 4.49Å; F567-F583 HydrophobicContact CD1-CD2 4.23Å; F567-F583 HydrophobicContact CE1-CB 3.58Å; F567-F583 HydrophobicContact CE1-CD2 4.07Å; F567-F583 AromaticContact CE1-CG 3.92Å; F567-F583 HydrophobicContact CE1-CG 3.92Å; F567-F583 HydrophobicContact CZ-CB 3.78Å; F567-I585 HydrophobicContact CE2-CD1 4.26Å; F567-I585 HydrophobicContact CE2-CG1 3.97Å; F567-I585 HydrophobicContact CZ-CD1 3.67Å; F567-I585 HydrophobicContact CZ-CG1 3.77Å; F567-T605 HydrophobicContact CD1-CG2 4.18Å; F567-T605 HydrophobicContact CD2-CG2 3.63Å; F567-T605 HydrophobicContact CE1-CG2 4.2Å; F567-T605 HydrophobicContact CE2-CG2 3.66Å; F567-T605 HydrophobicContact CG-CG2 3.89Å; F567-T605 HydrophobicContact CZ-CG2 3.93Å; F567-W622 HydrophobicContact CB-CE3 4.26Å; F567-W622 HydrophobicContact CB-CH2 3.72Å; F567-W622 HydrophobicContact CB-CZ3 3.45Å; F567-W622 VanDerWaalsContact CB-CZ3 3.45Å; F567-W622 HydrophobicContact CD1-CH2 4.07Å; F567-W622 HydrophobicContact CD1-CZ3 4.48Å; F567-W622 HydrophobicContact CG-CH2 4.19Å; F567-W622 HydrophobicContact CG-CZ3 4.38Å; F567-K626 WeakPolarHBondContact O-CB 3.34Å; F567-P627 HydrophobicContact CB-CB 4.45Å; F567-P627 PolarHBondContact N-O 2.89Å; F567-T629 HydrophobicContact CE2-CG2 3.89Å; F567-I766 HydrophobicContact CE1-CG2 4.48Å; F567-L826 HydrophobicContact CE1-CD1 4.22Å; F567-V828 HydrophobicContact CD1-CG1 3.7Å; F567-V828 HydrophobicContact CE1-CG1 4.06Å; F567-V828 HydrophobicContact CG-CG1 4.18Å |
| 568 | L | 92.6 | Very high | 86.5 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -42.9 | -176.6 | -55 | -177.2 | 0 | 0 | 0 | 111.7 | K626 A801 R827 V829 F1129 | L568-K626 WeakPolarHBondContact O-CD 3.3Å; L568-K626 VanDerWaalsContact O-CE 3.22Å; L568-K626 WeakPolarHBondContact O-CE 3.3Å; L568-K626 PolarHBondContact O-NZ 3.24Å; L568-A801 HydrophobicContact CD1-CB 4.1Å; L568-R827 HydrophobicContact CB-CB 4.41Å; L568-R827 HydrophobicContact CB-CG 4.38Å; L568-R827 WeakPolarHBondContact CB-O 3.17Å; L568-R827 HydrophobicContact CD1-CG 4.31Å; L568-R827 PolarHBondContact N-O 3.14Å; L568-V829 HydrophobicContact CD1-CG2 3.85Å; L568-V829 HydrophobicContact CD2-CG2 4.35Å; L568-V829 HydrophobicContact CG-CG2 4.2Å; L568-F1129 HydrophobicContact CD2-CE2 4.4Å; L568-F1129 HydrophobicContact CD2-CZ 4.04Å |
| 569 | S | 93.1 | Very high | 85.5 | Confident | 16 Ų | 16 | 35.8 Ų | 35.8 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 155.8 | 173.8 | 63.4 | 0 | 0 | 0 | 0 | 113 | R827 Q1165 | S569-R827 PolarHBondContact N-O 3.13Å; S569-R827 PolarHBondContact O-N 3.46Å; S569-R827 WeakPolarHBondContact OG-CB 3.38Å; S569-Q1165 PolarHBondContact OG-OE1 3.04Å |
| 570 | A | 94.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 116.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | F583 Y619 L620 W622 Q825 L826 | A570-F583 HydrophobicContact CB-CE2 3.62Å; A570-F583 HydrophobicContact CB-CZ 3.97Å; A570-Y619 CarbonylContact O-C 3.55Å; A570-Y619 VanDerWaalsContact O-CA 3.25Å; A570-Y619 WeakPolarHBondContact O-CA 3Å; A570-Y619 WeakPolarHBondContact O-CB 3.4Å; A570-L620 HydrophobicContact CB-CB 4.19Å; A570-L620 HydrophobicContact CB-CD1 4.03Å; A570-L620 HydrophobicContact CB-CG 4.01Å; A570-L620 PolarHBondContact O-N 2.91Å; A570-W622 HydrophobicContact CB-CH2 3.76Å; A570-W622 HydrophobicContact CB-CZ2 4.44Å; A570-W622 HydrophobicContact CB-CZ3 3.96Å; A570-Q825 WeakPolarHBondContact CA-O 3.27Å; A570-L826 HydrophobicContact CB-CD2 3.63Å |
| 571 | T | 93 | Very high | 85 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.055 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | -178.8 | -168.4 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | I573 Y618 Q825 | T571-I573 PolarHBondContact O-N 3.08Å; T571-I573 VanDerWaalsContact O-N 3.14Å; T571-Y618 CarbonylContact C-O 3.55Å; T571-Q825 PolarHBondContact N-O 3.42Å; T571-Q825 PolarHBondContact O-N 2.87Å |
| 572 | M | 90.6 | Very high | 84.9 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.034 | 16% | 0.156 | C | C | . | . | trans | 54.7 | 32.8 | 179.1 | -64.4 | -72.7 | -67.9 | 0 | 0 | 113 | Y617 Y618 Q825 S1163 M1208 | M572-Y617 HydrophobicContact CB-CD1 4.41Å; M572-Y617 HydrophobicContact CE-CD1 4.25Å; M572-Y617 HydrophobicContact CE-CD2 3.89Å; M572-Y617 HydrophobicContact CE-CE1 3.76Å; M572-Y617 HydrophobicContact CE-CE2 3.32Å; M572-Y617 HydrophobicContact CE-CG 4.31Å; M572-Y617 HydrophobicContact SD-CD1 4.1Å; M572-Y617 HydrophobicContact SD-CD2 3.33Å; M572-Y617 WeakPolarHBondContact SD-CD2 3.48Å; M572-Y617 HydrophobicContact SD-CE1 4.22Å; M572-Y617 HydrophobicContact SD-CE2 3.44Å; M572-Y617 WeakPolarHBondContact SD-CE2 3.4Å; M572-Y617 HydrophobicContact SD-CG 3.68Å; M572-Y618 PolarHBondContact N-O 2.9Å; M572-Q825 HydrophobicContact CB-CB 4Å; M572-Q825 HydrophobicContact CG-CB 4.25Å; M572-S1163 WeakPolarHBondContact SD-CB 3.25Å; M572-S1163 PolarHBondContact SD-OG 2.67Å; M572-S1163 VanDerWaalsContact SD-OG 3.37Å; M572-M1208 HydrophobicContact CG-CG 4.44Å | ||
| 573 | I | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -80.4 | 126.9 | -178.9 | -60.3 | 172.7 | 0 | 0 | 0 | 108.6 | T571 I581 P610 Y618 L620 M768 P823 A824 | T571-I573 PolarHBondContact O-N 3.08Å; T571-I573 VanDerWaalsContact O-N 3.14Å; I573-I581 HydrophobicContact CD1-CD1 4.16Å; I573-I581 HydrophobicContact CG2-CD1 3.55Å; I573-P610 HydrophobicContact CG2-CB 4.47Å; I573-Y618 WeakPolarHBondContact CB-O 3.04Å; I573-Y618 PolarHBondContact N-O 3.24Å; I573-Y618 PolarHBondContact O-N 3.41Å; I573-L620 HydrophobicContact CD1-CD1 4.47Å; I573-L620 HydrophobicContact CD1-CD2 3.77Å; I573-L620 HydrophobicContact CD1-CG 3.72Å; I573-M768 HydrophobicContact CG2-CE 4.08Å; I573-P823 WeakPolarHBondContact CA-O 2.98Å; I573-A824 HydrophobicContact CG1-CB 3.92Å |
| 574 | E | 77.9 | Confident | 85 | Confident | 33 Ų | 33 | 30 Ų | 30 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | trans | -75.9 | 120.5 | 173.3 | -173 | -176.9 | -167.7 | 0 | 0 | 109.9 | K576 K821 P823 | E574-K576 HydrophobicContact CG-CG 4.47Å; E574-K576 PolarHBondContact O-N 3.23Å; E574-K576 VanDerWaalsContact OE1-CE 3.23Å; E574-K576 WeakPolarHBondContact OE1-CE 3.29Å; E574-K576 IonicContact OE1-NZ 2.84Å; E574-K576 PolarHBondContact OE1-NZ 3.02Å; E574-K576 IonicContact OE2-NZ 3.93Å; E574-K821 VanDerWaalsContact CD-CD 3.45Å; E574-K821 HydrophobicContact CG-CD 4.39Å; E574-K821 WeakPolarHBondContact OE1-CD 3.4Å; E574-K821 WeakPolarHBondContact OE1-CE 3.5Å; E574-K821 IonicContact OE1-NZ 2.66Å; E574-K821 PolarHBondContact OE1-NZ 2.92Å; E574-P823 PolarHBondContact N-O 2.79Å | ||
| 575 | E | 64 | Low | 85 | Confident | 102 Ų | 102 | 29 Ų | 29 | 48% | 0.477 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -75.1 | 92.6 | 173.6 | -173.3 | -176.2 | -139.5 | 0 | 0 | 110.9 | Y618 | E575-Y618 HydrophobicContact CB-CD1 4.35Å; E575-Y618 HydrophobicContact CB-CD2 3.49Å; E575-Y618 VanDerWaalsContact CB-CD2 3.49Å; E575-Y618 HydrophobicContact CB-CE1 4.14Å; E575-Y618 HydrophobicContact CB-CE2 3.25Å; E575-Y618 HydrophobicContact CB-CG 4.09Å; E575-Y618 HydrophobicContact CG-CE1 4.21Å; E575-Y618 HydrophobicContact CG-CE2 4.11Å; E575-Y618 PolarHBondContact OE2-OH 2.71Å |
| 576 | K | 60.3 | Low | 85 | Confident | 154 Ų | 154 | 29.2 Ų | 29.2 | 67% | 0.67 | 15% | 0.152 | S | C | * | . | trans | -129.1 | 10.4 | 158.4 | -74.8 | 177.4 | 175.2 | 153 | 0 | 111.9 | E574 | E574-K576 HydrophobicContact CG-CG 4.47Å; E574-K576 PolarHBondContact O-N 3.23Å; E574-K576 VanDerWaalsContact OE1-CE 3.23Å; E574-K576 WeakPolarHBondContact OE1-CE 3.29Å; E574-K576 IonicContact OE1-NZ 2.84Å; E574-K576 PolarHBondContact OE1-NZ 3.02Å; E574-K576 IonicContact OE2-NZ 3.93Å | ||
| 577 | S | 58.1 | Low | 85.1 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | trans | -97.1 | 106.2 | -170.2 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | G579 C770 K1065 | S577-G579 PolarHBondContact O-N 3.34Å; S577-G579 VanDerWaalsContact O-N 3.15Å; S577-C770 WeakPolarHBondContact CB-SG 3.49Å; S577-K1065 PolarHBondContact O-NZ 2.95Å | ||
| 578 | D | 61.9 | Low | 85 | Confident | 158 Ų | 158 | 29.3 Ų | 29.3 | 85% | 0.845 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -69.8 | -0.2 | 171.2 | -74.5 | -25.5 | 0 | 0 | 0 | 113.5 | K1065 | D578-K1065 WeakPolarHBondContact O-CE 3.41Š|
| 579 | G | 72.2 | Confident | 84.9 | Confident | 10 Ų | 10 | 27.6 Ų | 27.6 | 10% | 0.103 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -132.2 | 170 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | S577 | S577-G579 PolarHBondContact O-N 3.34Å; S577-G579 VanDerWaalsContact O-N 3.15Å |
| 580 | P | 83.8 | Confident | 84.9 | Confident | 44 Ų | 44 | 28.3 Ų | 28.3 | 29% | 0.286 | 15% | 0.146 | S | C | . | . | trans | -66.8 | 154 | 171.4 | 30 | -35 | 0 | 0 | 0 | 111.1 | P607 G771 | P580-P607 HydrophobicContact CB-CB 4.04Å; P580-P607 HydrophobicContact CG-CB 4.21Å; P580-G771 PolarHBondContact O-N 3.23Å | ||
| 581 | I | 90.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.8 | -179.1 | -64.1 | 165.5 | 0 | 0 | 0 | 109.4 | I573 F583 P607 T608 P610 L620 M768 L769 | I573-I581 HydrophobicContact CD1-CD1 4.16Å; I573-I581 HydrophobicContact CG2-CD1 3.55Å; I581-F583 HydrophobicContact CG2-CE1 4.33Å; I581-F583 HydrophobicContact CG2-CE2 4.37Å; I581-F583 HydrophobicContact CG2-CZ 3.97Å; I581-P607 WeakPolarHBondContact O-CA 3.49Å; I581-T608 PolarHBondContact N-O 2.96Å; I581-T608 PolarHBondContact O-N 2.83Å; I581-P610 HydrophobicContact CD1-CB 4Å; I581-P610 HydrophobicContact CD1-CG 3.89Å; I581-L620 HydrophobicContact CB-CD1 4.41Å; I581-L620 HydrophobicContact CB-CD2 4.32Å; I581-L620 HydrophobicContact CD1-CD2 4.44Å; I581-L620 HydrophobicContact CG2-CD1 4.15Å; I581-M768 HydrophobicContact CD1-CE 3.64Å; I581-M768 HydrophobicContact CG1-CE 4.02Å; I581-M768 HydrophobicContact CG2-CE 3.86Å; I581-M768 HydrophobicContact CG2-CG 4.07Å; I581-L769 VanDerWaalsContact CA-O 3.31Å; I581-L769 WeakPolarHBondContact CA-O 3.17Å |
| 582 | E | 91.3 | Very high | 84.5 | Confident | 18 Ų | 18 | 28.8 Ų | 28.8 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.9 | 167.1 | 65.8 | 179.3 | -163.7 | 0 | 0 | 110.1 | K593 L769 | E582-K593 IonicContact OE1-NZ 3.72Å; E582-K593 PolarHBondContact OE1-NZ 3.26Å; E582-K593 IonicContact OE2-NZ 3.82Å; E582-K593 PolarHBondContact OE2-NZ 3.44Å; E582-L769 HydrophobicContact CG-CB 3.7Å; E582-L769 HydrophobicContact CG-CD1 4.47Å; E582-L769 HydrophobicContact CG-CD2 4.42Å; E582-L769 HydrophobicContact CG-CG 4.41Å; E582-L769 PolarHBondContact N-O 3.44Å; E582-L769 PolarHBondContact O-N 2.91Å |
| 583 | F | 95.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.1 | 171.8 | -58 | -72.9 | 0 | 0 | 0 | 110 | F567 A570 I581 T604 T605 L620 W622 W767 M768 L806 L826 | F567-F583 HydrophobicContact CD1-CB 4.49Å; F567-F583 HydrophobicContact CD1-CD2 4.23Å; F567-F583 HydrophobicContact CE1-CB 3.58Å; F567-F583 HydrophobicContact CE1-CD2 4.07Å; F567-F583 AromaticContact CE1-CG 3.92Å; F567-F583 HydrophobicContact CE1-CG 3.92Å; F567-F583 HydrophobicContact CZ-CB 3.78Å; A570-F583 HydrophobicContact CB-CE2 3.62Å; A570-F583 HydrophobicContact CB-CZ 3.97Å; I581-F583 HydrophobicContact CG2-CE1 4.33Å; I581-F583 HydrophobicContact CG2-CE2 4.37Å; I581-F583 HydrophobicContact CG2-CZ 3.97Å; F583-T604 CarbonylContact O-C 3.4Å; F583-T604 VanDerWaalsContact O-CA 3.22Å; F583-T604 WeakPolarHBondContact O-CA 3.2Å; F583-T605 HydrophobicContact CB-CG2 4.06Å; F583-T605 HydrophobicContact CD2-CG2 4.34Å; F583-T605 PolarHBondContact N-OG1 2.85Å; F583-T605 PolarHBondContact O-N 3.11Å; F583-L620 HydrophobicContact CD2-CD1 4.44Å; F583-L620 HydrophobicContact CE2-CD1 3.58Å; F583-L620 HydrophobicContact CZ-CD1 4.23Å; F583-W622 AromaticContact CD2-CH2 3.84Å; F583-W622 HydrophobicContact CD2-CH2 3.84Å; F583-W622 HydrophobicContact CD2-CZ2 4Å; F583-W622 AromaticContact CE2-CH2 3.83Å; F583-W622 HydrophobicContact CE2-CH2 3.83Å; F583-W622 HydrophobicContact CE2-CZ2 4.02Å; F583-W767 CarbonylContact C-O 3.38Å; F583-W767 WeakPolarHBondContact CA-O 2.81Å; F583-M768 HydrophobicContact CD1-CB 4.02Å; F583-M768 HydrophobicContact CD1-CG 4.3Å; F583-M768 HydrophobicContact CE1-CB 3.84Å; F583-M768 HydrophobicContact CE1-CG 3.75Å; F583-M768 HydrophobicContact CE1-SD 4.42Å; F583-L806 HydrophobicContact CD1-CD1 4.4Å; F583-L806 HydrophobicContact CE1-CD1 3.95Å; F583-L826 HydrophobicContact CD1-CD1 3.91Å; F583-L826 HydrophobicContact CD1-CD2 4.21Å; F583-L826 HydrophobicContact CD2-CD2 4.29Å; F583-L826 HydrophobicContact CE1-CD1 3.99Å; F583-L826 HydrophobicContact CE1-CD2 3.59Å; F583-L826 HydrophobicContact CE1-CG 4.34Å; F583-L826 HydrophobicContact CE2-CD2 3.65Å; F583-L826 HydrophobicContact CG-CD1 4.35Å; F583-L826 HydrophobicContact CZ-CD1 4.48Å; F583-L826 HydrophobicContact CZ-CD2 3.29Å; F583-L826 HydrophobicContact CZ-CG 4.46Å |
| 584 | E | 95.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.1 | 176 | 177.3 | -172.4 | 76.4 | 0 | 0 | 109.7 | K593 S603 T604 I766 W767 L769 R774 | E584-K593 WeakPolarHBondContact OE2-CB 3.23Å; E584-K593 WeakPolarHBondContact OE2-CG 3.13Å; E584-K593 PolarHBondContact OE2-N 3.48Å; E584-S603 CarbonylContact C-O 3.56Å; E584-S603 WeakPolarHBondContact CA-O 3.41Å; E584-T604 HydrophobicContact CB-CG2 3.85Å; E584-T604 HydrophobicContact CG-CG2 3.97Å; E584-I766 CarbonylContact O-C 3.54Å; E584-I766 WeakPolarHBondContact O-CA 3.5Å; E584-W767 HydrophobicContact CB-CB 4.2Å; E584-W767 PolarHBondContact N-O 3.07Å; E584-W767 PolarHBondContact O-N 2.83Å; E584-L769 HydrophobicContact CB-CD1 3.48Å; E584-L769 VanDerWaalsContact CB-CD1 3.48Å; E584-R774 IonicContact OE1-CZ 3.42Å; E584-R774 IonicContact OE1-NE 3.76Å; E584-R774 PolarHBondContact OE1-NE 3.24Å; E584-R774 IonicContact OE1-NH2 2.96Å; E584-R774 PolarHBondContact OE1-NH2 2.89Å; E584-R774 IonicContact OE2-NH2 2.73Å |
| 585 | I | 96 | Very high | 83.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.8 | 174.9 | -61.1 | -60.8 | 0 | 0 | 0 | 108.8 | L563 V565 F567 S603 T629 V631 I764 I765 I766 | L563-I585 HydrophobicContact CD2-CG2 3.46Å; L563-I585 VanDerWaalsContact CD2-CG2 3.46Å; L563-I585 HydrophobicContact CG-CG2 4.24Å; V565-I585 HydrophobicContact CB-CD1 4.33Å; V565-I585 HydrophobicContact CB-CG1 4.11Å; V565-I585 HydrophobicContact CG1-CD1 4.14Å; V565-I585 HydrophobicContact CG1-CG1 4.37Å; V565-I585 HydrophobicContact CG2-CD1 4.12Å; V565-I585 HydrophobicContact CG2-CG1 4.04Å; V565-I585 HydrophobicContact CG2-CG2 3.89Å; F567-I585 HydrophobicContact CE2-CD1 4.26Å; F567-I585 HydrophobicContact CE2-CG1 3.97Å; F567-I585 HydrophobicContact CZ-CD1 3.67Å; F567-I585 HydrophobicContact CZ-CG1 3.77Å; I585-S603 PolarHBondContact N-O 2.98Å; I585-S603 VanDerWaalsContact O-CB 3.26Å; I585-S603 WeakPolarHBondContact O-CB 3.48Å; I585-T629 HydrophobicContact CG1-CG2 4.26Å; I585-T629 WeakPolarHBondContact CG1-OG1 3.48Å; I585-V631 HydrophobicContact CG2-CG2 4.31Å; I585-I764 HydrophobicContact CG2-CG2 4.16Å; I585-I765 WeakPolarHBondContact CA-O 3.03Å; I585-I766 HydrophobicContact CD1-CB 4Å; I585-I766 HydrophobicContact CD1-CD1 3.88Å; I585-I766 HydrophobicContact CD1-CG1 3.51Å; I585-I766 HydrophobicContact CD1-CG2 3.86Å |
| 586 | S | 95.2 | Very high | 83.6 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 148.4 | 175.5 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | H590 I764 I765 | S586-H590 CarbonylContact C-O 3.39Å; S586-H590 WeakPolarHBondContact CA-O 3.4Å; S586-H590 WeakPolarHBondContact CB-O 3.28Å; S586-I764 CarbonylContact O-C 3.42Å; S586-I764 WeakPolarHBondContact O-CA 3.26Å; S586-I765 PolarHBondContact N-O 3.03Å; S586-I765 PolarHBondContact O-N 2.83Å |
| 587 | I | 95.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.4 | 167.8 | -173.5 | 173.5 | 0 | 0 | 0 | 107.9 | L563 N589 H590 V631 W635 I761 P762 I764 F832 | L563-I587 HydrophobicContact CD2-CB 4.4Å; L563-I587 HydrophobicContact CD2-CG2 4.27Å; I587-N589 PolarHBondContact O-N 3.43Å; I587-H590 HydrophobicContact CG2-CB 4.37Å; I587-H590 PolarHBondContact N-O 2.69Å; I587-H590 WeakPolarHBondContact O-CB 3.44Å; I587-H590 PolarHBondContact O-N 2.91Å; I587-H590 VanDerWaalsContact O-N 3.12Å; I587-V631 HydrophobicContact CG2-CG1 4.17Å; I587-W635 HydrophobicContact CG1-CZ2 4.12Å; I587-W635 HydrophobicContact CG2-CZ2 4.49Å; I587-I761 HydrophobicContact CD1-CG2 3.95Å; I587-P762 HydrophobicContact CG1-CB 4.33Å; I587-I764 HydrophobicContact CB-CG1 4.33Å; I587-I764 HydrophobicContact CD1-CG1 3.99Å; I587-I764 HydrophobicContact CG1-CG1 4.33Å; I587-F832 HydrophobicContact CD1-CD2 4.33Å; I587-F832 HydrophobicContact CD1-CE1 4.36Å; I587-F832 HydrophobicContact CD1-CE2 3.69Å; I587-F832 HydrophobicContact CD1-CZ 3.71Å |
| 588 | G | 93.2 | Very high | 85.4 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -135.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y520 | Y520-G588 VanDerWaalsContact CD1-C 3.44Å; Y520-G588 VanDerWaalsContact CD1-CA 3.44Å |
| 589 | N | 91.7 | Very high | 86.1 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.4 | 171.2 | -76 | -6.8 | 0 | 0 | 0 | 113 | D374 R498 I587 G591 N592 D595 V598 | D374-N589 WeakPolarHBondContact CB-ND2 3.36Å; D374-N589 PolarHBondContact OD1-ND2 3.13Å; R498-N589 PolarHBondContact NH1-OD1 2.8Å; R498-N589 PolarHBondContact NH2-OD1 2.96Å; I587-N589 PolarHBondContact O-N 3.43Å; N589-G591 PolarHBondContact O-N 3.4Å; N589-N592 WeakPolarHBondContact O-CB 3.06Å; N589-N592 PolarHBondContact O-N 3.09Å; N589-D595 PolarHBondContact ND2-OD2 2.96Å; N589-D595 PolarHBondContact OD1-OD2 3.32Å; N589-V598 HydrophobicContact CB-CG1 3.98Å; N589-V598 HydrophobicContact CB-CG2 4.43Å; N589-V598 WeakPolarHBondContact O-CG2 3.43Å |
| 590 | H | 92.8 | Very high | 86.5 | Confident | 32 Ų | 32 | 33.6 Ų | 33.6 | 15% | 0.148 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 127.4 | -177.7 | -61.3 | -85.2 | 0 | 0 | 0 | 111.3 | S586 I587 N592 V631 D632 W635 | S586-H590 CarbonylContact C-O 3.39Å; S586-H590 WeakPolarHBondContact CA-O 3.4Å; S586-H590 WeakPolarHBondContact CB-O 3.28Å; I587-H590 HydrophobicContact CG2-CB 4.37Å; I587-H590 PolarHBondContact N-O 2.69Å; I587-H590 WeakPolarHBondContact O-CB 3.44Å; I587-H590 PolarHBondContact O-N 2.91Å; I587-H590 VanDerWaalsContact O-N 3.12Å; H590-N592 VanDerWaalsContact C-N 3.34Å; H590-V631 HydrophobicContact CB-CG1 3.61Å; H590-D632 PolarHBondContact ND1-O 2.91Å; H590-W635 AromaticContact CD2-CZ2 3.89Å |
| 591 | G | 89.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -10.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N589 K593 S603 | N589-G591 PolarHBondContact O-N 3.4Å; G591-K593 PolarHBondContact O-N 3.33Å; G591-S603 VanDerWaalsContact CA-CB 3.46Å; G591-S603 VanDerWaalsContact O-CB 3.25Å; G591-S603 WeakPolarHBondContact O-CB 3.24Å; G591-S603 PolarHBondContact O-OG 3.09Å |
| 592 | N | 88.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 32.5 Ų | 32.5 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | trans | -74.2 | 113.3 | 174.3 | 176.9 | 2.7 | 0 | 0 | 0 | 110.7 | N589 H590 L594 D595 R774 | N589-N592 WeakPolarHBondContact O-CB 3.06Å; N589-N592 PolarHBondContact O-N 3.09Å; H590-N592 VanDerWaalsContact C-N 3.34Å; N592-L594 PolarHBondContact O-N 3.01Å; N592-L594 VanDerWaalsContact O-N 3.16Å; N592-L594 PolarHBondContact OD1-N 3.27Å; N592-D595 HydrophobicContact CB-CB 4.13Å; N592-D595 PolarHBondContact O-N 3.18Å; N592-D595 VanDerWaalsContact O-N 3.15Å; N592-R774 PolarHBondContact OD1-NH2 3.01Å | ||
| 593 | K | 78.6 | Confident | 86.6 | Confident | 93 Ų | 93 | 32 Ų | 32 | 40% | 0.404 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.5 | -178.8 | -80.5 | 177.7 | 147.4 | 180 | 0 | 115.3 | E582 E584 G591 D595 T604 | E582-K593 IonicContact OE1-NZ 3.72Å; E582-K593 PolarHBondContact OE1-NZ 3.26Å; E582-K593 IonicContact OE2-NZ 3.82Å; E582-K593 PolarHBondContact OE2-NZ 3.44Å; E584-K593 WeakPolarHBondContact OE2-CB 3.23Å; E584-K593 WeakPolarHBondContact OE2-CG 3.13Å; E584-K593 PolarHBondContact OE2-N 3.48Å; G591-K593 PolarHBondContact O-N 3.33Å; K593-D595 VanDerWaalsContact C-N 3.33Å; K593-T604 HydrophobicContact CD-CG2 3.74Å; K593-T604 HydrophobicContact CG-CG2 4.19Å |
| 594 | L | 75.5 | Confident | 86.4 | Confident | 71 Ų | 71 | 32.8 Ų | 32.8 | 37% | 0.372 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -5.5 | -178.8 | -61 | -179.1 | 0 | 0 | 0 | 112.9 | R498 Y500 N592 | R498-L594 VanDerWaalsContact O-CD1 3.22Å; R498-L594 WeakPolarHBondContact O-CD1 3.44Å; Y500-L594 HydrophobicContact CE2-CB 4.25Å; N592-L594 PolarHBondContact O-N 3.01Å; N592-L594 VanDerWaalsContact O-N 3.16Å; N592-L594 PolarHBondContact OD1-N 3.27Å |
| 595 | D | 77.6 | Confident | 86.4 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | trans | -100.9 | 116.5 | -178.1 | -152.4 | -57 | 0 | 0 | 0 | 110.4 | R498 N589 N592 K593 S597 | R498-D595 IonicContact NH1-OD2 2.75Å; R498-D595 PolarHBondContact NH1-OD2 2.73Å; N589-D595 PolarHBondContact ND2-OD2 2.96Å; N589-D595 PolarHBondContact OD1-OD2 3.32Å; N592-D595 HydrophobicContact CB-CB 4.13Å; N592-D595 PolarHBondContact O-N 3.18Å; N592-D595 VanDerWaalsContact O-N 3.15Å; K593-D595 VanDerWaalsContact C-N 3.33Å; D595-S597 VanDerWaalsContact OD1-CB 3.29Å; D595-S597 WeakPolarHBondContact OD1-CB 3.39Å; D595-S597 PolarHBondContact OD1-N 2.94Å; D595-S597 PolarHBondContact OD1-OG 3.42Å | ||
| 596 | E | 72.5 | Confident | 86 | Confident | 152 Ų | 152 | 33.1 Ų | 33.1 | 71% | 0.71 | 19% | 0.185 | S | C | * | . | trans | -94 | 0.7 | 179.8 | -61.7 | -169.6 | 155.3 | 0 | 0 | 112.4 | K1117 | E596-K1117 WeakPolarHBondContact OE1-CE 3.27Å; E596-K1117 IonicContact OE1-NZ 2.62Å; E596-K1117 PolarHBondContact OE1-NZ 2.99Å | ||
| 597 | S | 75.2 | Confident | 85.7 | Confident | 64 Ų | 64 | 34.3 Ų | 34.3 | 45% | 0.448 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -79.8 | -19.1 | -178.3 | 69.7 | 0 | 0 | 0 | 0 | 114 | D595 | D595-S597 VanDerWaalsContact OD1-CB 3.29Å; D595-S597 WeakPolarHBondContact OD1-CB 3.39Å; D595-S597 PolarHBondContact OD1-N 2.94Å; D595-S597 PolarHBondContact OD1-OG 3.42Å |
| 598 | V | 80.9 | Confident | 85.3 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -116.7 | 153.5 | -175.6 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | N589 | N589-V598 HydrophobicContact CB-CG1 3.98Å; N589-V598 HydrophobicContact CB-CG2 4.43Å; N589-V598 WeakPolarHBondContact O-CG2 3.43Å |
| 599 | T | 76.4 | Confident | 84.9 | Confident | 83 Ų | 83 | 35.6 Ų | 35.6 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | trans | -59.7 | 133 | 176 | -46.1 | 0 | 0 | 0 | 0 | 110.7 | C601 V1098 | T599-C601 PolarHBondContact O-N 2.94Å; T599-V1098 HydrophobicContact CG2-CG2 4.26Å | ||
| 600 | P | 81.6 | Confident | 84.6 | Confident | 58 Ų | 58 | 36.2 Ų | 36.2 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | trans | -54.8 | 138.6 | 177 | -27.7 | 35 | 0 | 0 | 0 | 112.8 | V1098 V1122 | P600-V1098 VanDerWaalsContact O-CG2 3.25Å; P600-V1098 WeakPolarHBondContact O-CG2 3.42Å; P600-V1122 HydrophobicContact CB-CG1 3.64Å; P600-V1122 WeakPolarHBondContact O-CG1 3.46Å | ||
| 601 | C | 85.9 | Confident | 84 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | trans | -119.2 | 159.4 | 178.1 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | T599 S603 V631 | T599-C601 PolarHBondContact O-N 2.94Å; C601-S603 PolarHBondContact O-N 3.19Å; C601-V631 HydrophobicContact CB-CB 4.46Å; C601-V631 HydrophobicContact CB-CG1 4.31Å; C601-V631 HydrophobicContact CB-CG2 4.31Å | ||
| 602 | A | 88.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -77.2 | 60.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T629 M630 P1123 I1125 | A602-T629 CarbonylContact O-C 3.44Å; A602-T629 WeakPolarHBondContact O-CA 3.08Å; A602-T629 WeakPolarHBondContact O-CB 3.48Å; A602-M630 PolarHBondContact N-O 2.87Å; A602-M630 PolarHBondContact O-N 3.15Å; A602-P1123 WeakPolarHBondContact CB-O 3.4Å; A602-I1125 HydrophobicContact CB-CD1 3.87Å; A602-I1125 HydrophobicContact CB-CG1 4.21Å |
| 603 | S | 92 | Very high | 82.9 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | trans | -91.8 | -3 | -167.5 | 57.9 | 0 | 0 | 0 | 0 | 115.1 | E584 I585 G591 C601 T629 | E584-S603 CarbonylContact C-O 3.56Å; E584-S603 WeakPolarHBondContact CA-O 3.41Å; I585-S603 PolarHBondContact N-O 2.98Å; I585-S603 VanDerWaalsContact O-CB 3.26Å; I585-S603 WeakPolarHBondContact O-CB 3.48Å; G591-S603 VanDerWaalsContact CA-CB 3.46Å; G591-S603 VanDerWaalsContact O-CB 3.25Å; G591-S603 WeakPolarHBondContact O-CB 3.24Å; G591-S603 PolarHBondContact O-OG 3.09Å; C601-S603 PolarHBondContact O-N 3.19Å; S603-T629 VanDerWaalsContact C-CG2 3.5Å | ||
| 604 | T | 92.4 | Very high | 82.4 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 10% | 0.104 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -124.6 | 144.3 | -173.8 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | F583 E584 K593 R1124 | F583-T604 CarbonylContact O-C 3.4Å; F583-T604 VanDerWaalsContact O-CA 3.22Å; F583-T604 WeakPolarHBondContact O-CA 3.2Å; E584-T604 HydrophobicContact CB-CG2 3.85Å; E584-T604 HydrophobicContact CG-CG2 3.97Å; K593-T604 HydrophobicContact CD-CG2 3.74Å; K593-T604 HydrophobicContact CG-CG2 4.19Å; T604-R1124 PolarHBondContact O-NH1 2.82Å; T604-R1124 PolarHBondContact OG1-NH1 2.84Å |
| 605 | T | 93.6 | Very high | 82.2 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 159.7 | 166 | 69.1 | 0 | 0 | 0 | 0 | 110.4 | F567 F583 W622 P627 R1124 | F567-T605 HydrophobicContact CD1-CG2 4.18Å; F567-T605 HydrophobicContact CD2-CG2 3.63Å; F567-T605 HydrophobicContact CE1-CG2 4.2Å; F567-T605 HydrophobicContact CE2-CG2 3.66Å; F567-T605 HydrophobicContact CG-CG2 3.89Å; F567-T605 HydrophobicContact CZ-CG2 3.93Å; F583-T605 HydrophobicContact CB-CG2 4.06Å; F583-T605 HydrophobicContact CD2-CG2 4.34Å; F583-T605 PolarHBondContact N-OG1 2.85Å; F583-T605 PolarHBondContact O-N 3.11Å; T605-W622 HydrophobicContact CG2-CH2 4.48Å; T605-W622 HydrophobicContact CG2-CZ2 4.29Å; T605-P627 HydrophobicContact CG2-CB 3.76Å; T605-P627 HydrophobicContact CG2-CG 4.42Å; T605-R1124 PolarHBondContact O-NH1 2.76Å |
| 606 | P | 89 | Confident | 82.2 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 140.8 | 171.8 | -22 | 33.5 | 0 | 0 | 0 | 111.4 | T608 F1126 | P606-T608 PolarHBondContact O-N 3.19Å; P606-T608 PolarHBondContact O-OG1 3.13Å; P606-F1126 HydrophobicContact CG-CE1 3.83Å; P606-F1126 HydrophobicContact CG-CZ 3.77Å |
| 607 | P | 87.2 | Confident | 82.9 | Confident | 31 Ų | 31 | 27.7 Ų | 27.7 | 20% | 0.201 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 119.8 | 172.7 | 26.2 | -33.5 | 0 | 0 | 0 | 109.5 | P580 I581 | P580-P607 HydrophobicContact CB-CB 4.04Å; P580-P607 HydrophobicContact CG-CB 4.21Å; I581-P607 WeakPolarHBondContact O-CA 3.49Å |
| 608 | T | 87.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -124.9 | 136.1 | -171.8 | -51.5 | 0 | 0 | 0 | 0 | 109.2 | I581 P606 L620 W622 | I581-T608 PolarHBondContact N-O 2.96Å; I581-T608 PolarHBondContact O-N 2.83Å; P606-T608 PolarHBondContact O-N 3.19Å; P606-T608 PolarHBondContact O-OG1 3.13Å; T608-L620 HydrophobicContact CG2-CB 4Å; T608-L620 HydrophobicContact CG2-CD2 4.09Å; T608-L620 HydrophobicContact CG2-CG 4.45Å; T608-W622 PolarHBondContact OG1-NE1 2.97Å; T608-W622 VanDerWaalsContact OG1-NE1 3.09Å |
| 609 | N | 84.7 | Confident | 83.8 | Confident | 30 Ų | 30 | 26.7 Ų | 26.7 | 16% | 0.16 | 15% | 0.151 | C | C | . | . | trans | -76.5 | 134 | 174.4 | -59.6 | -63.5 | 0 | 0 | 0 | 109.9 | V611 S912 | N609-V611 PolarHBondContact O-N 2.93Å; N609-S912 VanDerWaalsContact CB-OG 3.27Å; N609-S912 WeakPolarHBondContact CB-OG 2.8Å; N609-S912 PolarHBondContact N-OG 3.19Å; N609-S912 PolarHBondContact ND2-OG 3.19Å; N609-S912 VanDerWaalsContact ND2-OG 3.14Å; N609-S912 WeakPolarHBondContact O-CB 3.4Å | ||
| 610 | P | 86.3 | Confident | 84.5 | Confident | 16 Ų | 16 | 23.1 Ų | 23.1 | 10% | 0.104 | 13% | 0.128 | C | C | . | . | trans | -63.6 | 135.8 | 172.5 | 24.7 | -30.9 | 0 | 0 | 0 | 110.7 | I573 I581 Y618 L620 | I573-P610 HydrophobicContact CG2-CB 4.47Å; I581-P610 HydrophobicContact CD1-CB 4Å; I581-P610 HydrophobicContact CD1-CG 3.89Å; P610-Y618 HydrophobicContact CB-CD1 4.05Å; P610-Y618 HydrophobicContact CB-CG 4.31Å; P610-L620 HydrophobicContact CB-CD2 4.33Å | ||
| 611 | V | 79 | Confident | 84.7 | Confident | 10 Ų | 10 | 20.8 Ų | 20.8 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.9 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | N609 Y618 Y619 P621 Y915 | N609-V611 PolarHBondContact O-N 2.93Å; V611-Y618 CarbonylContact O-C 3.55Å; V611-Y618 WeakPolarHBondContact O-CA 3.2Å; V611-Y618 WeakPolarHBondContact O-CB 3.29Å; V611-Y619 HydrophobicContact CB-CE1 4.39Å; V611-Y619 HydrophobicContact CG1-CE1 4.23Å; V611-Y619 PolarHBondContact N-O 2.85Å; V611-Y619 WeakPolarHBondContact O-CD1 3.08Å; V611-Y619 PolarHBondContact O-N 3.42Å; V611-P621 HydrophobicContact CG2-CG 3.81Å; V611-Y915 HydrophobicContact CB-CD1 4.39Å; V611-Y915 HydrophobicContact CG1-CD1 3.42Å; V611-Y915 VanDerWaalsContact CG1-CD1 3.42Å; V611-Y915 HydrophobicContact CG1-CE1 3.86Å; V611-Y915 HydrophobicContact CG1-CG 3.91Å; V611-Y915 HydrophobicContact CG2-CD1 4.13Å; V611-Y915 HydrophobicContact CG2-CD2 4.01Å; V611-Y915 HydrophobicContact CG2-CG 3.76Å |
| 612 | S | 81 | Confident | 84.6 | Confident | 13 Ų | 13 | 20.7 Ų | 20.7 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 138.5 | -179.9 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | G614 Y618 | S612-G614 PolarHBondContact O-N 2.99Å; S612-G614 PolarHBondContact OG-N 3.38Å; S612-Y618 VanDerWaalsContact N-CD1 3.34Å |
| 613 | D | 76.4 | Confident | 84.2 | Confident | 24 Ų | 24 | 22.1 Ų | 22.1 | 13% | 0.128 | 13% | 0.126 | C | C | . | . | trans | -75.5 | -7.9 | 170.1 | 69.9 | -1.7 | 0 | 0 | 0 | 113.6 | L615 H616 Y617 Y619 G1166 S1168 | D613-L615 PolarHBondContact OD1-N 3.06Å; D613-H616 PolarHBondContact OD1-N 3.03Å; D613-Y617 PolarHBondContact N-O 2.94Å; D613-Y617 PolarHBondContact OD1-N 2.89Å; D613-Y617 VanDerWaalsContact OD1-N 3.13Å; D613-Y617 WeakPolarHBondContact OD2-CB 3.35Å; D613-Y617 PolarHBondContact OD2-N 3.3Å; D613-Y619 HydrophobicContact CB-CD1 4.32Å; D613-G1166 WeakPolarHBondContact CB-O 3.01Å; D613-S1168 VanDerWaalsContact CG-OG 3.26Å; D613-S1168 VanDerWaalsContact OD2-CB 3.28Å; D613-S1168 WeakPolarHBondContact OD2-CB 3.41Å; D613-S1168 PolarHBondContact OD2-OG 2.81Å | ||
| 614 | G | 66.2 | Low | 83.6 | Confident | 12 Ų | 12 | 25.2 Ų | 25.2 | 12% | 0.124 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 100.1 | -4.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | S612 G920 | S612-G614 PolarHBondContact O-N 2.99Å; S612-G614 PolarHBondContact OG-N 3.38Å; G614-G920 WeakPolarHBondContact CA-O 3.24Å |
| 615 | L | 72.6 | Confident | 83.1 | Confident | 73 Ų | 73 | 26.9 Ų | 26.9 | 38% | 0.382 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -128.3 | -65.8 | -178.5 | -169 | 79.3 | 0 | 0 | 0 | 111.8 | D613 S1168 E1170 | D613-L615 PolarHBondContact OD1-N 3.06Å; L615-S1168 WeakPolarHBondContact CB-OG 3.46Å; L615-S1168 WeakPolarHBondContact CD2-OG 3.14Å; L615-E1170 HydrophobicContact CD2-CB 4.44Å; L615-E1170 HydrophobicContact CD2-CG 3.8Å |
| 616 | H | 76.4 | Confident | 83.1 | Confident | 72 Ų | 72 | 28.2 Ų | 28.2 | 33% | 0.333 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -143.9 | -31.8 | -171.4 | -169.5 | -82.9 | 0 | 0 | 0 | 114.3 | D613 R1161 | D613-H616 PolarHBondContact OD1-N 3.03Å; H616-R1161 PolarHBondContact CD2-NH1 3.37Å; H616-R1161 PolarHBondContact CD2-NH2 3.36Å; H616-R1161 VanDerWaalsContact CD2-NH2 3.34Å; H616-R1161 PolarHBondContact CE1-NH1 2.87Å; H616-R1161 VanDerWaalsContact CE1-NH1 3.31Å; H616-R1161 VanDerWaalsContact CG-CZ 3.45Å; H616-R1161 PolarHBondContact ND1-NH1 2.88Å; H616-R1161 PolarHBondContact NE2-NH1 2.86Å; H616-R1161 VanDerWaalsContact NE2-NH1 3.11Å |
| 617 | Y | 87.3 | Confident | 83.3 | Confident | 11 Ų | 11 | 28 Ų | 28 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | trans | -108.4 | 167.8 | -173.8 | -69.2 | -68.5 | 0 | 0 | 0 | 112.6 | M572 D613 E1210 | M572-Y617 HydrophobicContact CB-CD1 4.41Å; M572-Y617 HydrophobicContact CE-CD1 4.25Å; M572-Y617 HydrophobicContact CE-CD2 3.89Å; M572-Y617 HydrophobicContact CE-CE1 3.76Å; M572-Y617 HydrophobicContact CE-CE2 3.32Å; M572-Y617 HydrophobicContact CE-CG 4.31Å; M572-Y617 HydrophobicContact SD-CD1 4.1Å; M572-Y617 HydrophobicContact SD-CD2 3.33Å; M572-Y617 WeakPolarHBondContact SD-CD2 3.48Å; M572-Y617 HydrophobicContact SD-CE1 4.22Å; M572-Y617 HydrophobicContact SD-CE2 3.44Å; M572-Y617 WeakPolarHBondContact SD-CE2 3.4Å; M572-Y617 HydrophobicContact SD-CG 3.68Å; D613-Y617 PolarHBondContact N-O 2.94Å; D613-Y617 PolarHBondContact OD1-N 2.89Å; D613-Y617 VanDerWaalsContact OD1-N 3.13Å; D613-Y617 WeakPolarHBondContact OD2-CB 3.35Å; D613-Y617 PolarHBondContact OD2-N 3.3Å; Y617-E1210 WeakPolarHBondContact CE2-OE2 3.25Å; Y617-E1210 VanDerWaalsContact CZ-OE2 3.31Å; Y617-E1210 PolarHBondContact OH-OE1 3.09Å; Y617-E1210 PolarHBondContact OH-OE2 3Å | ||
| 618 | Y | 87.3 | Confident | 83.7 | Confident | 22 Ų | 22 | 26.7 Ų | 26.7 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 156.8 | 175.6 | -68 | -109.6 | 0 | 0 | 0 | 110.3 | T571 M572 I573 E575 P610 V611 S612 | T571-Y618 CarbonylContact C-O 3.55Å; M572-Y618 PolarHBondContact N-O 2.9Å; I573-Y618 WeakPolarHBondContact CB-O 3.04Å; I573-Y618 PolarHBondContact N-O 3.24Å; I573-Y618 PolarHBondContact O-N 3.41Å; E575-Y618 HydrophobicContact CB-CD1 4.35Å; E575-Y618 HydrophobicContact CB-CD2 3.49Å; E575-Y618 VanDerWaalsContact CB-CD2 3.49Å; E575-Y618 HydrophobicContact CB-CE1 4.14Å; E575-Y618 HydrophobicContact CB-CE2 3.25Å; E575-Y618 HydrophobicContact CB-CG 4.09Å; E575-Y618 HydrophobicContact CG-CE1 4.21Å; E575-Y618 HydrophobicContact CG-CE2 4.11Å; E575-Y618 PolarHBondContact OE2-OH 2.71Å; P610-Y618 HydrophobicContact CB-CD1 4.05Å; P610-Y618 HydrophobicContact CB-CG 4.31Å; V611-Y618 CarbonylContact O-C 3.55Å; V611-Y618 WeakPolarHBondContact O-CA 3.2Å; V611-Y618 WeakPolarHBondContact O-CB 3.29Å; S612-Y618 VanDerWaalsContact N-CD1 3.34Å |
| 619 | Y | 89.3 | Confident | 84 | Confident | 52 Ų | 52 | 26.6 Ų | 26.6 | 20% | 0.204 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 164.1 | 177.4 | 72.5 | -81.5 | 0 | 0 | 0 | 111 | A570 V611 D613 P621 | A570-Y619 CarbonylContact O-C 3.55Å; A570-Y619 VanDerWaalsContact O-CA 3.25Å; A570-Y619 WeakPolarHBondContact O-CA 3Å; A570-Y619 WeakPolarHBondContact O-CB 3.4Å; V611-Y619 HydrophobicContact CB-CE1 4.39Å; V611-Y619 HydrophobicContact CG1-CE1 4.23Å; V611-Y619 PolarHBondContact N-O 2.85Å; V611-Y619 WeakPolarHBondContact O-CD1 3.08Å; V611-Y619 PolarHBondContact O-N 3.42Å; D613-Y619 HydrophobicContact CB-CD1 4.32Å; Y619-P621 HydrophobicContact CE2-CB 3.95Å |
| 620 | L | 90.4 | Very high | 84.3 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | trans | -100.3 | 118.3 | 176.1 | -55.7 | -171.6 | 0 | 0 | 0 | 110.6 | A570 I573 I581 F583 T608 P610 W622 | A570-L620 HydrophobicContact CB-CB 4.19Å; A570-L620 HydrophobicContact CB-CD1 4.03Å; A570-L620 HydrophobicContact CB-CG 4.01Å; A570-L620 PolarHBondContact O-N 2.91Å; I573-L620 HydrophobicContact CD1-CD1 4.47Å; I573-L620 HydrophobicContact CD1-CD2 3.77Å; I573-L620 HydrophobicContact CD1-CG 3.72Å; I581-L620 HydrophobicContact CB-CD1 4.41Å; I581-L620 HydrophobicContact CB-CD2 4.32Å; I581-L620 HydrophobicContact CD1-CD2 4.44Å; I581-L620 HydrophobicContact CG2-CD1 4.15Å; F583-L620 HydrophobicContact CD2-CD1 4.44Å; F583-L620 HydrophobicContact CE2-CD1 3.58Å; F583-L620 HydrophobicContact CZ-CD1 4.23Å; T608-L620 HydrophobicContact CG2-CB 4Å; T608-L620 HydrophobicContact CG2-CD2 4.09Å; T608-L620 HydrophobicContact CG2-CG 4.45Å; P610-L620 HydrophobicContact CB-CD2 4.33Å; L620-W622 HydrophobicContact CB-CD2 4.36Å; L620-W622 HydrophobicContact CB-CZ2 4.23Å; L620-W622 HydrophobicContact CD1-CH2 4.28Å; L620-W622 HydrophobicContact CD1-CZ2 3.58Å; L620-W622 PolarHBondContact O-N 3.05Å; L620-W622 VanDerWaalsContact O-N 3.07Å | ||
| 621 | P | 85.4 | Confident | 84.6 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | trans | -87 | 69 | -172.3 | 36.1 | -39.1 | 0 | 0 | 0 | 112.8 | V611 Y619 G623 L911 Y915 | V611-P621 HydrophobicContact CG2-CG 3.81Å; Y619-P621 HydrophobicContact CE2-CB 3.95Å; P621-G623 VanDerWaalsContact C-N 3.3Å; P621-G623 PolarHBondContact O-N 2.69Å; P621-L911 WeakPolarHBondContact O-CB 3.25Å; P621-Y915 HydrophobicContact CB-CE2 3.68Å; P621-Y915 HydrophobicContact CG-CD2 4.16Å; P621-Y915 HydrophobicContact CG-CE2 3.67Å | ||
| 622 | W | 84.8 | Confident | 85.1 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 5% | 0.053 | 14% | 0.143 | C | C | . | . | trans | -72.2 | -11.5 | -177.1 | -65.4 | -37.8 | 0 | 0 | 0 | 116.2 | F567 A570 F583 T605 T608 L620 P627 L911 | F567-W622 HydrophobicContact CB-CE3 4.26Å; F567-W622 HydrophobicContact CB-CH2 3.72Å; F567-W622 HydrophobicContact CB-CZ3 3.45Å; F567-W622 VanDerWaalsContact CB-CZ3 3.45Å; F567-W622 HydrophobicContact CD1-CH2 4.07Å; F567-W622 HydrophobicContact CD1-CZ3 4.48Å; F567-W622 HydrophobicContact CG-CH2 4.19Å; F567-W622 HydrophobicContact CG-CZ3 4.38Å; A570-W622 HydrophobicContact CB-CH2 3.76Å; A570-W622 HydrophobicContact CB-CZ2 4.44Å; A570-W622 HydrophobicContact CB-CZ3 3.96Å; F583-W622 AromaticContact CD2-CH2 3.84Å; F583-W622 HydrophobicContact CD2-CH2 3.84Å; F583-W622 HydrophobicContact CD2-CZ2 4Å; F583-W622 AromaticContact CE2-CH2 3.83Å; F583-W622 HydrophobicContact CE2-CH2 3.83Å; F583-W622 HydrophobicContact CE2-CZ2 4.02Å; T605-W622 HydrophobicContact CG2-CH2 4.48Å; T605-W622 HydrophobicContact CG2-CZ2 4.29Å; T608-W622 PolarHBondContact OG1-NE1 2.97Å; T608-W622 VanDerWaalsContact OG1-NE1 3.09Å; L620-W622 HydrophobicContact CB-CD2 4.36Å; L620-W622 HydrophobicContact CB-CZ2 4.23Å; L620-W622 HydrophobicContact CD1-CH2 4.28Å; L620-W622 HydrophobicContact CD1-CZ2 3.58Å; L620-W622 PolarHBondContact O-N 3.05Å; L620-W622 VanDerWaalsContact O-N 3.07Å; W622-P627 HydrophobicContact CB-CG 4.45Å; W622-P627 VanDerWaalsContact CD2-CD 3.47Å; W622-P627 HydrophobicContact CD2-CG 3.54Å; W622-P627 HydrophobicContact CE3-CG 4.02Å; W622-P627 HydrophobicContact CG-CG 3.76Å; W622-P627 HydrophobicContact CH2-CG 4.5Å; W622-P627 HydrophobicContact CZ2-CG 4.06Å; W622-L911 WeakPolarHBondContact O-CD1 3.07Å | ||
| 623 | G | 79.2 | Confident | 85.7 | Confident | 36 Ų | 36 | 25.9 Ų | 25.9 | 37% | 0.371 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | -146.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P621 K626 | P621-G623 VanDerWaalsContact C-N 3.3Å; P621-G623 PolarHBondContact O-N 2.69Å; G623-K626 WeakPolarHBondContact O-CD 3.45Å; G623-K626 WeakPolarHBondContact O-CE 3.44Å; G623-K626 PolarHBondContact O-NZ 2.98Å |
| 624 | D | 79.3 | Confident | 86.5 | Confident | 71 Ų | 71 | 29.4 Ų | 29.4 | 38% | 0.38 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22 | -177.6 | -60.8 | -32.5 | 0 | 0 | 0 | 114 | K626 F1129 | D624-K626 PolarHBondContact O-N 2.89Å; D624-F1129 PolarHBondContact O-N 2.97Å |
| 625 | D | 83.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 28.9 Ų | 28.9 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 78.9 | 178.5 | -70.9 | -34.5 | 0 | 0 | 0 | 109 | F1126 R1128 | D625-F1126 HydrophobicContact CB-CB 4.41Å; D625-F1126 HydrophobicContact CB-CD1 4.24Å; D625-F1126 HydrophobicContact CB-CG 4.47Å; D625-F1126 WeakPolarHBondContact O-CD1 3.23Å; D625-R1128 WeakPolarHBondContact OD1-CB 3.43Å; D625-R1128 VanDerWaalsContact OD1-CD 3.28Å; D625-R1128 WeakPolarHBondContact OD1-CD 3.11Å; D625-R1128 WeakPolarHBondContact OD1-CG 3.43Å; D625-R1128 IonicContact OD1-CZ 3.98Å; D625-R1128 IonicContact OD1-NE 2.8Å; D625-R1128 IonicContact OD1-NH1 2.65Å; D625-R1128 IonicContact OD2-NH1 3.66Å |
| 626 | K | 92 | Very high | 88.8 | Confident | 29 Ų | 29 | 25.7 Ų | 25.7 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.7 | -177.8 | -61.2 | -53.4 | -174.4 | -170.9 | 0 | 111 | F567 L568 G623 D624 C628 F1126 M1127 F1129 | F567-K626 WeakPolarHBondContact O-CB 3.34Å; L568-K626 WeakPolarHBondContact O-CD 3.3Å; L568-K626 VanDerWaalsContact O-CE 3.22Å; L568-K626 WeakPolarHBondContact O-CE 3.3Å; L568-K626 PolarHBondContact O-NZ 3.24Å; G623-K626 WeakPolarHBondContact O-CD 3.45Å; G623-K626 WeakPolarHBondContact O-CE 3.44Å; G623-K626 PolarHBondContact O-NZ 2.98Å; D624-K626 PolarHBondContact O-N 2.89Å; K626-C628 PolarHBondContact O-N 3.37Å; K626-F1126 CarbonylContact O-C 3.57Å; K626-F1126 VanDerWaalsContact O-CA 3.31Å; K626-F1126 WeakPolarHBondContact O-CA 3.23Å; K626-M1127 HydrophobicContact CB-CB 4.36Å; K626-M1127 PolarHBondContact N-O 3.08Å; K626-M1127 PolarHBondContact O-N 3.12Å; K626-F1129 HydrophobicContact CB-CD2 4.49Å; K626-F1129 HydrophobicContact CB-CE2 4.03Å; K626-F1129 HydrophobicContact CG-CD2 3.8Å; K626-F1129 HydrophobicContact CG-CE2 3.53Å |
| 627 | P | 95 | Very high | 89.6 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 138.8 | 177.1 | -24.4 | 34.7 | 0 | 0 | 0 | 111.6 | F567 T605 W622 | F567-P627 HydrophobicContact CB-CB 4.45Å; F567-P627 PolarHBondContact N-O 2.89Å; T605-P627 HydrophobicContact CG2-CB 3.76Å; T605-P627 HydrophobicContact CG2-CG 4.42Å; W622-P627 HydrophobicContact CB-CG 4.45Å; W622-P627 VanDerWaalsContact CD2-CD 3.47Å; W622-P627 HydrophobicContact CD2-CG 3.54Å; W622-P627 HydrophobicContact CE3-CG 4.02Å; W622-P627 HydrophobicContact CG-CG 3.76Å; W622-P627 HydrophobicContact CH2-CG 4.5Å; W622-P627 HydrophobicContact CZ2-CG 4.06Å |
| 628 | C | 93.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.7 | 172.6 | -174 | 0 | 0 | 0 | 0 | 108.7 | V565 K626 I1125 M1127 | V565-C628 CarbonylContact O-C 3.56Å; V565-C628 VanDerWaalsContact O-CA 3.29Å; V565-C628 WeakPolarHBondContact O-CA 3.47Å; K626-C628 PolarHBondContact O-N 3.37Å; C628-I1125 HydrophobicContact CB-CB 4.34Å; C628-I1125 HydrophobicContact CB-CG2 3.98Å; C628-I1125 PolarHBondContact N-O 3.2Å; C628-I1125 WeakPolarHBondContact O-CB 3.08Å; C628-M1127 HydrophobicContact CB-CG 3.85Å |
| 629 | T | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.6 | 175 | 62 | 0 | 0 | 0 | 0 | 109.7 | Y564 V565 F567 I585 A602 S603 | Y564-T629 WeakPolarHBondContact CA-O 3Å; V565-T629 WeakPolarHBondContact CB-OG1 3.48Å; V565-T629 PolarHBondContact N-O 2.95Å; V565-T629 PolarHBondContact O-N 3.11Å; F567-T629 HydrophobicContact CE2-CG2 3.89Å; I585-T629 HydrophobicContact CG1-CG2 4.26Å; I585-T629 WeakPolarHBondContact CG1-OG1 3.48Å; A602-T629 CarbonylContact O-C 3.44Å; A602-T629 WeakPolarHBondContact O-CA 3.08Å; A602-T629 WeakPolarHBondContact O-CB 3.48Å; S603-T629 VanDerWaalsContact C-CG2 3.5Å |
| 630 | M | 91.5 | Very high | 90.3 | Very high | 14 Ų | 14 | 20.4 Ų | 20.4 | 7% | 0.069 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 122.7 | 174.3 | -178.6 | -157.7 | 61.2 | 0 | 0 | 108.9 | L563 Y564 A602 C1097 I1125 | L563-M630 VanDerWaalsContact O-CA 3.3Å; L563-M630 WeakPolarHBondContact O-CA 3.4Å; Y564-M630 HydrophobicContact CD1-CB 4.15Å; Y564-M630 HydrophobicContact CD1-CG 4.15Å; Y564-M630 HydrophobicContact CE1-CB 3.96Å; Y564-M630 HydrophobicContact CE1-CG 3.64Å; Y564-M630 HydrophobicContact CE1-SD 4.07Å; Y564-M630 HydrophobicContact CE2-CG 4.42Å; A602-M630 PolarHBondContact N-O 2.87Å; A602-M630 PolarHBondContact O-N 3.15Å; M630-C1097 WeakPolarHBondContact CE-SG 3.36Å; M630-I1125 HydrophobicContact CB-CD1 3.53Å; M630-I1125 HydrophobicContact CE-CD1 4.28Å; M630-I1125 HydrophobicContact SD-CD1 4.5Å |
| 631 | V | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114.5 | 178 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | L563 I585 I587 H590 C601 | L563-V631 HydrophobicContact CB-CB 4.23Å; L563-V631 HydrophobicContact CD2-CB 4.45Å; L563-V631 PolarHBondContact N-O 3.46Å; L563-V631 PolarHBondContact O-N 2.6Å; I585-V631 HydrophobicContact CG2-CG2 4.31Å; I587-V631 HydrophobicContact CG2-CG1 4.17Å; H590-V631 HydrophobicContact CB-CG1 3.61Å; C601-V631 HydrophobicContact CB-CB 4.46Å; C601-V631 HydrophobicContact CB-CG1 4.31Å; C601-V631 HydrophobicContact CB-CG2 4.31Å |
| 632 | D | 90.6 | Very high | 90.9 | Very high | 37 Ų | 37 | 19.9 Ų | 19.9 | 20% | 0.198 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.5 | 171.4 | -66.7 | -46.7 | 0 | 0 | 0 | 108.6 | Q562 H590 | Q562-D632 PolarHBondContact NE2-OD1 3.07Å; H590-D632 PolarHBondContact ND1-O 2.91Å |
| 633 | S | 93.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 166.9 | -179.2 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | Y561 W635 | Y561-S633 PolarHBondContact N-O 2.69Å; Y561-S633 PolarHBondContact O-N 2.88Å; Y561-S633 VanDerWaalsContact O-O 3.1Å; S633-W635 VanDerWaalsContact CB-NE1 3.33Å; S633-W635 PolarHBondContact OG-NE1 2.85Å |
| 634 | Q | 92.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 17.8 Ų | 17.8 | 46% | 0.458 | 9% | 0.092 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 121.1 | 178.9 | -63.5 | -179.7 | 20 | 0 | 0 | 110.7 | R558 R559 K560 | R558-Q634 HydrophobicContact CB-CB 4.14Å; R559-Q634 VanDerWaalsContact O-CA 3.24Å; R559-Q634 WeakPolarHBondContact O-CA 3.4Å; K560-Q634 HydrophobicContact CG-CG 4.14Å |
| 635 | W | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.8 | -177 | -53.2 | 107.8 | 0 | 0 | 0 | 110.6 | R558 R559 Y561 I587 H590 S633 I761 P762 F832 | R558-W635 CarbonylContact C-O 3.56Å; R558-W635 WeakPolarHBondContact CA-O 3.23Å; R559-W635 PolarHBondContact N-O 2.78Å; R559-W635 PolarHBondContact O-N 3.26Å; Y561-W635 HydrophobicContact CD2-CB 3.97Å; Y561-W635 AromaticContact CD2-CD1 3.98Å; Y561-W635 HydrophobicContact CD2-CG 4.41Å; Y561-W635 HydrophobicContact CE2-CB 3.99Å; I587-W635 HydrophobicContact CG1-CZ2 4.12Å; I587-W635 HydrophobicContact CG2-CZ2 4.49Å; H590-W635 AromaticContact CD2-CZ2 3.89Å; S633-W635 VanDerWaalsContact CB-NE1 3.33Å; S633-W635 PolarHBondContact OG-NE1 2.85Å; W635-I761 HydrophobicContact CB-CD1 4.35Å; W635-I761 HydrophobicContact CB-CG1 4.09Å; W635-I761 HydrophobicContact CG-CG1 4.39Å; W635-I761 HydrophobicContact CG-CG2 4.4Å; W635-P762 HydrophobicContact CH2-CG 3.54Å; W635-P762 HydrophobicContact CZ2-CG 4.02Å; W635-P762 HydrophobicContact CZ3-CG 3.81Å; W635-F832 AromaticContact CD1-CZ 3.93Å |
| 636 | E | 93.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 2% | 0.023 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 144.3 | 165.5 | 64.8 | -71.2 | 160.1 | 0 | 0 | 112.2 | R523 I638 I702 S760 | R523-E636 IonicContact CZ-OE2 2.64Å; R523-E636 VanDerWaalsContact NH1-CD 3.27Å; R523-E636 IonicContact NH1-OE1 3.54Å; R523-E636 PolarHBondContact NH1-OE1 2.87Å; R523-E636 IonicContact NH1-OE2 3.56Å; R523-E636 PolarHBondContact NH1-OE2 2.98Å; R523-E636 IonicContact NH2-OE2 3.98Å; R523-E636 PolarHBondContact NH2-OE2 3.24Å; R523-E636 VanDerWaalsContact NH2-OE2 3.09Å; E636-I638 HydrophobicContact CG-CG2 4.04Å; E636-I638 PolarHBondContact O-N 3.01Å; E636-I702 HydrophobicContact CB-CG2 3.58Å; E636-I702 HydrophobicContact CG-CG2 4.27Å; E636-S760 WeakPolarHBondContact CG-OG 3.48Å; E636-S760 VanDerWaalsContact OE1-C 3.25Å; E636-S760 WeakPolarHBondContact OE1-CB 3.34Å; E636-S760 PolarHBondContact OE1-OG 2.99Å |
| 637 | D | 93 | Very high | 94 | Very high | 5 Ų | 5 | 11 Ų | 11 | 3% | 0.027 | 6% | 0.057 | C | C | . | . | trans | -89 | 94.8 | -178.4 | -170 | -16.7 | 0 | 0 | 0 | 111.2 | R559 S639 N701 I702 | R559-D637 WeakPolarHBondContact CD-OD2 3.15Å; R559-D637 HydrophobicContact CG-CB 4.17Å; R559-D637 IonicContact CZ-OD2 2.82Å; R559-D637 IonicContact NE-OD2 3.71Å; R559-D637 IonicContact NH1-OD2 2.74Å; R559-D637 PolarHBondContact NH1-OD2 3.21Å; D637-S639 VanDerWaalsContact OD1-CB 3.24Å; D637-S639 WeakPolarHBondContact OD1-CB 3.37Å; D637-S639 PolarHBondContact OD1-N 3.44Å; D637-S639 VanDerWaalsContact OD1-N 3.11Å; D637-S639 PolarHBondContact OD1-OG 2.64Å; D637-N701 WeakPolarHBondContact O-CA 3.42Å; D637-N701 WeakPolarHBondContact O-CB 3.25Å; D637-N701 PolarHBondContact O-ND2 3.08Å; D637-N701 PolarHBondContact OD1-ND2 3.21Å; D637-N701 VanDerWaalsContact OD1-ND2 3.12Å; D637-I702 PolarHBondContact O-N 2.94Å | ||
| 638 | I | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -102.6 | 24.6 | 176.3 | 58.2 | 159.7 | 0 | 0 | 0 | 112.7 | E636 F640 R641 L642 I702 I761 | E636-I638 HydrophobicContact CG-CG2 4.04Å; E636-I638 PolarHBondContact O-N 3.01Å; I638-F640 PolarHBondContact O-N 2.86Å; I638-F640 VanDerWaalsContact O-N 3.1Å; I638-R641 HydrophobicContact CB-CG 4.49Å; I638-R641 WeakPolarHBondContact O-CB 3.39Å; I638-R641 PolarHBondContact O-N 3.18Å; I638-L642 HydrophobicContact CD1-CD1 3.88Å; I638-L642 HydrophobicContact CD1-CD2 3.83Å; I638-L642 HydrophobicContact CD1-CG 3.79Å; I638-L642 HydrophobicContact CG1-CD1 4.02Å; I638-L642 HydrophobicContact CG1-CG 4.03Å; I638-L642 PolarHBondContact O-N 2.71Å; I638-I702 HydrophobicContact CG2-CD1 3.49Å; I638-I702 VanDerWaalsContact CG2-CD1 3.49Å; I638-I702 HydrophobicContact CG2-CG1 3.97Å; I638-I761 HydrophobicContact CD1-CD1 4.2Å; I638-I761 HydrophobicContact CD1-CG1 3.99Å; I638-I761 HydrophobicContact CG1-CD1 3.85Å; I638-I761 HydrophobicContact CG1-CG1 4.03Å | ||
| 639 | S | 90.5 | Very high | 94.3 | Very high | 20 Ų | 20 | 12.6 Ų | 12.6 | 14% | 0.14 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -55.2 | -33 | -174.7 | -58 | 0 | 0 | 0 | 0 | 113.2 | D637 R641 L642 G643 | D637-S639 VanDerWaalsContact OD1-CB 3.24Å; D637-S639 WeakPolarHBondContact OD1-CB 3.37Å; D637-S639 PolarHBondContact OD1-N 3.44Å; D637-S639 VanDerWaalsContact OD1-N 3.11Å; D637-S639 PolarHBondContact OD1-OG 2.64Å; S639-R641 VanDerWaalsContact C-N 3.3Å; S639-R641 PolarHBondContact O-N 3.18Å; S639-L642 PolarHBondContact O-N 2.83Å; S639-G643 WeakPolarHBondContact O-CA 3.2Å; S639-G643 PolarHBondContact O-N 3.39Å |
| 640 | F | 93.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 14.7 Ų | 14.7 | 10% | 0.096 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.5 | -30.6 | 176.4 | 75.3 | -85.5 | 0 | 0 | 0 | 113.6 | I638 P695 N701 I702 D708 | I638-F640 PolarHBondContact O-N 2.86Å; I638-F640 VanDerWaalsContact O-N 3.1Å; F640-P695 HydrophobicContact CB-CB 4.32Å; F640-N701 HydrophobicContact CD1-CB 4.07Å; F640-N701 HydrophobicContact CE1-CB 4.35Å; F640-I702 HydrophobicContact CE1-CG1 4Å; F640-D708 HydrophobicContact CE2-CB 4Å; F640-D708 HydrophobicContact CZ-CB 4.4Å |
| 641 | R | 95.2 | Very high | 94.7 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -75.8 | -52.4 | 175 | -59.4 | -179.3 | -177.6 | 164.9 | -3 | 110.5 | S489 I638 S639 G643 A644 V645 N705 D708 E756 Q758 | S489-R641 PolarHBondContact OG-NH1 3.35Å; I638-R641 HydrophobicContact CB-CG 4.49Å; I638-R641 WeakPolarHBondContact O-CB 3.39Å; I638-R641 PolarHBondContact O-N 3.18Å; S639-R641 VanDerWaalsContact C-N 3.3Å; S639-R641 PolarHBondContact O-N 3.18Å; R641-G643 VanDerWaalsContact C-N 3.35Å; R641-G643 PolarHBondContact O-N 2.95Å; R641-A644 WeakPolarHBondContact O-CB 3.47Å; R641-A644 PolarHBondContact O-N 3.06Å; R641-V645 WeakPolarHBondContact O-CG2 3.42Å; R641-V645 PolarHBondContact O-N 3.1Å; R641-V645 VanDerWaalsContact O-N 3.14Å; R641-N705 PolarHBondContact NH2-ND2 2.8Å; R641-D708 IonicContact CZ-OD1 2.76Å; R641-D708 VanDerWaalsContact CZ-OD1 3.25Å; R641-D708 IonicContact CZ-OD2 2.8Å; R641-D708 IonicContact NE-OD1 3.75Å; R641-D708 PolarHBondContact NE-OD1 2.72Å; R641-D708 IonicContact NE-OD2 2.8Å; R641-D708 VanDerWaalsContact NH2-CG 3.32Å; R641-D708 IonicContact NH2-OD1 3.71Å; R641-D708 PolarHBondContact NH2-OD1 3.45Å; R641-D708 VanDerWaalsContact NH2-OD1 3.1Å; R641-D708 IonicContact NH2-OD2 3.62Å; R641-D708 PolarHBondContact NH2-OD2 3.12Å; R641-E756 HydrophobicContact CB-CG 4.33Å; R641-Q758 VanDerWaalsContact NH1-CB 3.3Å; R641-Q758 PolarHBondContact NH1-O 3.32Å; R641-Q758 VanDerWaalsContact NH1-O 3.15Å |
| 642 | L | 94.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.8 | -34.8 | -174.8 | -56.5 | -171.5 | 0 | 0 | 0 | 111.9 | I638 S639 A644 V645 N646 M759 I761 H783 L786 | I638-L642 HydrophobicContact CD1-CD1 3.88Å; I638-L642 HydrophobicContact CD1-CD2 3.83Å; I638-L642 HydrophobicContact CD1-CG 3.79Å; I638-L642 HydrophobicContact CG1-CD1 4.02Å; I638-L642 HydrophobicContact CG1-CG 4.03Å; I638-L642 PolarHBondContact O-N 2.71Å; S639-L642 PolarHBondContact O-N 2.83Å; L642-A644 VanDerWaalsContact C-N 3.31Å; L642-A644 PolarHBondContact O-N 3.19Å; L642-V645 WeakPolarHBondContact O-CB 3.46Å; L642-V645 PolarHBondContact O-N 2.83Å; L642-N646 WeakPolarHBondContact O-CB 3.3Å; L642-N646 VanDerWaalsContact O-CG 3.28Å; L642-N646 PolarHBondContact O-N 3.33Å; L642-N646 PolarHBondContact O-ND2 2.97Å; L642-M759 HydrophobicContact CD2-CG 4.13Å; L642-M759 HydrophobicContact CD2-SD 3.8Å; L642-I761 HydrophobicContact CD1-CD1 4.09Å; L642-H783 HydrophobicContact CB-CB 4.23Å; L642-H783 HydrophobicContact CD2-CB 4.18Å; L642-L786 HydrophobicContact CB-CD2 3.59Å; L642-L786 HydrophobicContact CD1-CD2 3.77Å; L642-L786 HydrophobicContact CG-CD2 4.3Å |
| 643 | G | 95.2 | Very high | 95 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S639 R641 N646 L647 | S639-G643 WeakPolarHBondContact O-CA 3.2Å; S639-G643 PolarHBondContact O-N 3.39Å; R641-G643 VanDerWaalsContact C-N 3.35Å; R641-G643 PolarHBondContact O-N 2.95Å; G643-N646 PolarHBondContact O-N 3.11Å; G643-L647 PolarHBondContact O-N 3.46Å |
| 644 | A | 96.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 3% | 0.033 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.7 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R641 L642 L647 L648 L694 P695 | R641-A644 WeakPolarHBondContact O-CB 3.47Å; R641-A644 PolarHBondContact O-N 3.06Å; L642-A644 VanDerWaalsContact C-N 3.31Å; L642-A644 PolarHBondContact O-N 3.19Å; A644-L647 PolarHBondContact O-N 3.22Å; A644-L648 VanDerWaalsContact O-CG 3.31Å; A644-L648 WeakPolarHBondContact O-CG 3.22Å; A644-L648 PolarHBondContact O-N 2.76Å; A644-L648 VanDerWaalsContact O-N 3.11Å; A644-L694 HydrophobicContact CB-CD2 4.12Å; A644-P695 HydrophobicContact CB-CG 4.48Å |
| 645 | V | 96.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 2% | 0.024 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | R641 L642 L647 L648 L649 A754 E756 | R641-V645 WeakPolarHBondContact O-CG2 3.42Å; R641-V645 PolarHBondContact O-N 3.1Å; R641-V645 VanDerWaalsContact O-N 3.14Å; L642-V645 WeakPolarHBondContact O-CB 3.46Å; L642-V645 PolarHBondContact O-N 2.83Å; V645-L647 PolarHBondContact O-N 3.35Å; V645-L648 PolarHBondContact O-N 3.43Å; V645-L649 HydrophobicContact CG1-CD1 3.8Å; V645-L649 HydrophobicContact CG1-CG 4.21Å; V645-L649 WeakPolarHBondContact O-CG 3.47Å; V645-L649 PolarHBondContact O-N 3.34Å; V645-A754 WeakPolarHBondContact CG1-O 3.44Å; V645-A754 WeakPolarHBondContact CG2-O 3.44Å; V645-E756 HydrophobicContact CG2-CB 3.49Å; V645-E756 VanDerWaalsContact CG2-CB 3.49Å; V645-E756 HydrophobicContact CG2-CG 4.21Å |
| 646 | N | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | -177.9 | -74.8 | -19.4 | 0 | 0 | 0 | 113 | L642 G643 R650 H783 Y793 G795 | L642-N646 WeakPolarHBondContact O-CB 3.3Å; L642-N646 VanDerWaalsContact O-CG 3.28Å; L642-N646 PolarHBondContact O-N 3.33Å; L642-N646 PolarHBondContact O-ND2 2.97Å; G643-N646 PolarHBondContact O-N 3.11Å; N646-R650 WeakPolarHBondContact O-CB 3.25Å; N646-R650 PolarHBondContact O-N 2.99Å; N646-H783 PolarHBondContact ND2-O 3.13Å; N646-H783 VanDerWaalsContact ND2-O 3.11Å; N646-H783 PolarHBondContact OD1-O 2.86Å; N646-Y793 WeakPolarHBondContact CB-O 3.3Å; N646-Y793 PolarHBondContact ND2-O 3.39Å; N646-G795 WeakPolarHBondContact ND2-CA 3.3Å; N646-G795 PolarHBondContact ND2-N 3.25Å; N646-G795 VanDerWaalsContact ND2-N 3.18Å |
| 647 | L | 97.5 | Very high | 95 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.3 | -52 | 172.3 | 171.5 | 58.6 | 0 | 0 | 0 | 110.3 | G643 A644 V645 L649 R650 I651 H692 L694 D792 Y793 | G643-L647 PolarHBondContact O-N 3.46Å; A644-L647 PolarHBondContact O-N 3.22Å; V645-L647 PolarHBondContact O-N 3.35Å; L647-L649 PolarHBondContact O-N 2.85Å; L647-R650 WeakPolarHBondContact O-CB 3.41Å; L647-R650 PolarHBondContact O-N 2.71Å; L647-R650 VanDerWaalsContact O-N 3.09Å; L647-I651 HydrophobicContact CD1-CD1 4.13Å; L647-I651 HydrophobicContact CD1-CG1 4.2Å; L647-I651 HydrophobicContact CG-CD1 4.27Å; L647-I651 WeakPolarHBondContact O-CG1 3.38Å; L647-I651 PolarHBondContact O-N 3.23Å; L647-H692 HydrophobicContact CD1-CB 3.81Å; L647-H692 HydrophobicContact CD2-CB 3.98Å; L647-L694 HydrophobicContact CD2-CD2 4.16Å; L647-D792 VanDerWaalsContact CA-O 3.26Å; L647-D792 WeakPolarHBondContact CA-O 3.31Å; L647-D792 HydrophobicContact CD1-CB 4.22Å; L647-D792 PolarHBondContact N-O 3.01Å; L647-Y793 HydrophobicContact CB-CD1 4.27Å; L647-Y793 HydrophobicContact CD2-CE1 4.24Å |
| 648 | L | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | -179.4 | -67.4 | 169.3 | 0 | 0 | 0 | 112.3 | A644 V645 R650 I651 A652 R715 L719 I750 L753 A754 | A644-L648 VanDerWaalsContact O-CG 3.31Å; A644-L648 WeakPolarHBondContact O-CG 3.22Å; A644-L648 PolarHBondContact O-N 2.76Å; A644-L648 VanDerWaalsContact O-N 3.11Å; V645-L648 PolarHBondContact O-N 3.43Å; L648-R650 VanDerWaalsContact C-N 3.27Å; L648-R650 PolarHBondContact O-N 3.23Å; L648-I651 PolarHBondContact O-N 2.6Å; L648-A652 PolarHBondContact O-N 3.08Å; L648-R715 HydrophobicContact CD1-CG 4.13Å; L648-L719 HydrophobicContact CD2-CD1 4.11Å; L648-L719 HydrophobicContact CD2-CD2 3.97Å; L648-L719 HydrophobicContact CD2-CG 4.28Å; L648-I750 HydrophobicContact CB-CG2 4.17Å; L648-I750 HydrophobicContact CD2-CD1 4.38Å; L648-I750 HydrophobicContact CD2-CG2 4.39Å; L648-I750 WeakPolarHBondContact O-CG2 3.5Å; L648-L753 HydrophobicContact CD1-CB 4Å; L648-L753 WeakPolarHBondContact CD1-O 3.29Å; L648-L753 HydrophobicContact CD2-CB 4.5Å; L648-A754 HydrophobicContact CB-CB 3.87Å |
| 649 | L | 97 | Very high | 94.9 | Very high | 40 Ų | 40 | 21.1 Ų | 21.1 | 21% | 0.209 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -34.3 | 175.9 | -70.3 | 177.1 | 0 | 0 | 0 | 112.4 | V645 L647 A652 D653 L751 A754 L796 | V645-L649 HydrophobicContact CG1-CD1 3.8Å; V645-L649 HydrophobicContact CG1-CG 4.21Å; V645-L649 WeakPolarHBondContact O-CG 3.47Å; V645-L649 PolarHBondContact O-N 3.34Å; L647-L649 PolarHBondContact O-N 2.85Å; L649-A652 PolarHBondContact O-N 2.77Å; L649-D653 WeakPolarHBondContact O-CB 3.35Å; L649-D653 PolarHBondContact O-N 2.9Å; L649-L751 HydrophobicContact CD2-CD2 4.08Å; L649-A754 HydrophobicContact CD2-CB 3.76Å; L649-A754 HydrophobicContact CG-CB 3.99Å; L649-L796 HydrophobicContact CB-CD1 4.05Å |
| 650 | R | 95.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 22.1 Ų | 22.1 | 17% | 0.166 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 175.3 | -176.3 | 177.4 | -62.6 | -120.1 | -9.7 | 112.1 | N646 L647 L648 A652 D653 H654 E791 R794 L796 | N646-R650 WeakPolarHBondContact O-CB 3.25Å; N646-R650 PolarHBondContact O-N 2.99Å; L647-R650 WeakPolarHBondContact O-CB 3.41Å; L647-R650 PolarHBondContact O-N 2.71Å; L647-R650 VanDerWaalsContact O-N 3.09Å; L648-R650 VanDerWaalsContact C-N 3.27Å; L648-R650 PolarHBondContact O-N 3.23Å; R650-A652 VanDerWaalsContact C-N 3.29Å; R650-A652 PolarHBondContact O-N 2.94Å; R650-D653 PolarHBondContact O-N 3.26Å; R650-D653 VanDerWaalsContact O-N 3.15Å; R650-H654 PolarHBondContact O-N 3.41Å; R650-E791 PolarHBondContact NH1-O 3.21Å; R650-E791 PolarHBondContact NH2-O 2.98Å; R650-R794 PolarHBondContact NH2-O 3.01Å; R650-L796 HydrophobicContact CB-CD2 4.08Å; R650-L796 HydrophobicContact CG-CD2 4.26Å |
| 651 | I | 97 | Very high | 94.1 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 174.3 | -59.5 | 179.4 | 0 | 0 | 0 | 110.3 | L647 L648 D653 H654 L655 F686 D689 L719 I750 | L647-I651 HydrophobicContact CD1-CD1 4.13Å; L647-I651 HydrophobicContact CD1-CG1 4.2Å; L647-I651 HydrophobicContact CG-CD1 4.27Å; L647-I651 WeakPolarHBondContact O-CG1 3.38Å; L647-I651 PolarHBondContact O-N 3.23Å; L648-I651 PolarHBondContact O-N 2.6Å; I651-D653 VanDerWaalsContact C-N 3.34Å; I651-D653 PolarHBondContact O-N 2.84Å; I651-H654 PolarHBondContact O-N 2.86Å; I651-L655 PolarHBondContact O-N 3.06Å; I651-L655 VanDerWaalsContact O-N 3.08Å; I651-F686 HydrophobicContact CG2-CD2 3.61Å; I651-F686 HydrophobicContact CG2-CE2 3.54Å; I651-D689 HydrophobicContact CB-CB 4.44Å; I651-D689 HydrophobicContact CD1-CB 4.18Å; I651-D689 HydrophobicContact CG1-CB 3.86Å; I651-D689 HydrophobicContact CG2-CB 4.02Å; I651-L719 HydrophobicContact CD1-CD2 4.26Å; I651-I750 HydrophobicContact CB-CG2 4.28Å; I651-I750 HydrophobicContact CG2-CD1 4.36Å; I651-I750 HydrophobicContact CG2-CG1 4.33Å; I651-I750 HydrophobicContact CG2-CG2 4.42Å |
| 652 | A | 96.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.033 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L648 L649 R650 L655 E656 I750 L751 | L648-A652 PolarHBondContact O-N 3.08Å; L649-A652 PolarHBondContact O-N 2.77Å; R650-A652 VanDerWaalsContact C-N 3.29Å; R650-A652 PolarHBondContact O-N 2.94Å; A652-L655 PolarHBondContact O-N 3.25Å; A652-E656 PolarHBondContact O-N 3.24Å; A652-I750 HydrophobicContact CB-CB 4.45Å; A652-I750 HydrophobicContact CB-CG2 3.89Å; A652-L751 HydrophobicContact CB-CD2 3.74Å; A652-L751 HydrophobicContact CB-CG 4.04Å |
| 653 | D | 94.3 | Very high | 93.1 | Very high | 60 Ų | 60 | 29.2 Ų | 29.2 | 32% | 0.321 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -68.9 | -39.1 | 177.2 | -177.7 | 81.7 | 0 | 0 | 0 | 112.6 | L649 R650 I651 E656 R657 L796 | L649-D653 WeakPolarHBondContact O-CB 3.35Å; L649-D653 PolarHBondContact O-N 2.9Å; R650-D653 PolarHBondContact O-N 3.26Å; R650-D653 VanDerWaalsContact O-N 3.15Å; I651-D653 VanDerWaalsContact C-N 3.34Å; I651-D653 PolarHBondContact O-N 2.84Å; D653-E656 PolarHBondContact O-N 2.66Å; D653-R657 WeakPolarHBondContact O-CG 3.31Å; D653-R657 PolarHBondContact O-N 2.82Å; D653-R657 IonicContact OD2-CZ 3.87Å; D653-R657 IonicContact OD2-NE 3.55Å; D653-R657 PolarHBondContact OD2-NE 3.45Å; D653-R657 IonicContact OD2-NH2 2.77Å; D653-R657 PolarHBondContact OD2-NH2 2.97Å; D653-L796 HydrophobicContact CB-CD1 4.38Å |
| 654 | H | 94.7 | Very high | 92.1 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 171.3 | -69.2 | 176.4 | 0 | 0 | 0 | 111.4 | R650 I651 E656 R657 G658 D689 | R650-H654 PolarHBondContact O-N 3.41Å; I651-H654 PolarHBondContact O-N 2.86Å; H654-E656 PolarHBondContact O-N 2.94Å; H654-R657 PolarHBondContact CD2-NH2 2.76Å; H654-R657 PolarHBondContact NE2-NH2 2.81Å; H654-R657 PolarHBondContact O-N 2.79Å; H654-G658 PolarHBondContact O-N 3.22Å; H654-D689 IonicContact CE1-OD2 3.78Å; H654-D689 IonicContact CG-OD2 2.98Å; H654-D689 IonicContact ND1-OD1 2.79Å; H654-D689 IonicContact ND1-OD2 3.17Å; H654-D689 PolarHBondContact ND1-OD2 2.96Å |
| 655 | L | 94.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.5 | -81.4 | 176.4 | 0 | 0 | 0 | 112.7 | I651 A652 R657 G658 I659 F686 L743 R747 | I651-L655 PolarHBondContact O-N 3.06Å; I651-L655 VanDerWaalsContact O-N 3.08Å; A652-L655 PolarHBondContact O-N 3.25Å; L655-R657 VanDerWaalsContact C-N 3.31Å; L655-R657 PolarHBondContact O-N 3.29Å; L655-G658 PolarHBondContact O-N 3.05Å; L655-I659 WeakPolarHBondContact O-CB 3.39Å; L655-I659 WeakPolarHBondContact O-CD1 3.31Å; L655-I659 VanDerWaalsContact O-CG1 3.22Å; L655-I659 WeakPolarHBondContact O-CG1 3.4Å; L655-I659 PolarHBondContact O-N 2.89Å; L655-F686 HydrophobicContact CD1-CD2 3.47Å; L655-F686 VanDerWaalsContact CD1-CD2 3.47Å; L655-F686 HydrophobicContact CD1-CE2 3.52Å; L655-F686 HydrophobicContact CD1-CG 4.17Å; L655-F686 HydrophobicContact CD1-CZ 4.24Å; L655-F686 HydrophobicContact CD2-CB 3.76Å; L655-F686 HydrophobicContact CD2-CD2 3.85Å; L655-F686 HydrophobicContact CD2-CG 3.79Å; L655-F686 HydrophobicContact CG-CB 4.38Å; L655-F686 HydrophobicContact CG-CD2 3.69Å; L655-F686 HydrophobicContact CG-CE2 4.26Å; L655-F686 HydrophobicContact CG-CG 4.17Å; L655-L743 HydrophobicContact CD2-CD2 3.78Å; L655-R747 HydrophobicContact CB-CB 4.27Å; L655-R747 HydrophobicContact CD1-CB 4.05Å |
| 656 | E | 94 | Very high | 90.2 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 178.3 | -177.4 | 62.9 | -156.3 | 0 | 0 | 111.9 | A652 D653 H654 I659 S660 R747 | A652-E656 PolarHBondContact O-N 3.24Å; D653-E656 PolarHBondContact O-N 2.66Å; H654-E656 PolarHBondContact O-N 2.94Å; E656-I659 PolarHBondContact O-N 2.9Å; E656-S660 VanDerWaalsContact O-CB 3.25Å; E656-S660 WeakPolarHBondContact O-CB 3.44Å; E656-S660 PolarHBondContact O-N 2.93Å; E656-S660 PolarHBondContact O-OG 2.74Å; E656-R747 WeakPolarHBondContact OE2-CD 3.49Å; E656-R747 IonicContact OE2-CZ 3.16Å; E656-R747 VanDerWaalsContact OE2-CZ 3.3Å; E656-R747 IonicContact OE2-NE 3.51Å; E656-R747 PolarHBondContact OE2-NE 2.79Å; E656-R747 IonicContact OE2-NH2 3.38Å; E656-R747 PolarHBondContact OE2-NH2 2.79Å |
| 657 | R | 90.2 | Very high | 88.6 | Confident | 124 Ų | 124 | 43.8 Ų | 43.8 | 47% | 0.468 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.8 | -73.8 | -173.5 | -99.5 | 171.7 | -4.8 | 111.3 | D653 H654 L655 S660 H661 | D653-R657 WeakPolarHBondContact O-CG 3.31Å; D653-R657 PolarHBondContact O-N 2.82Å; D653-R657 IonicContact OD2-CZ 3.87Å; D653-R657 IonicContact OD2-NE 3.55Å; D653-R657 PolarHBondContact OD2-NE 3.45Å; D653-R657 IonicContact OD2-NH2 2.77Å; D653-R657 PolarHBondContact OD2-NH2 2.97Å; H654-R657 PolarHBondContact CD2-NH2 2.76Å; H654-R657 PolarHBondContact NE2-NH2 2.81Å; H654-R657 PolarHBondContact O-N 2.79Å; L655-R657 VanDerWaalsContact C-N 3.31Å; L655-R657 PolarHBondContact O-N 3.29Å; R657-S660 PolarHBondContact O-N 3.41Å; R657-H661 VanDerWaalsContact O-CG 3.3Å; R657-H661 PolarHBondContact O-N 3.24Å; R657-H661 PolarHBondContact O-ND1 3.5Å |
| 658 | G | 90.2 | Very high | 87.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H654 L655 S660 H661 L662 S682 | H654-G658 PolarHBondContact O-N 3.22Å; L655-G658 PolarHBondContact O-N 3.05Å; G658-S660 VanDerWaalsContact C-N 3.34Å; G658-S660 PolarHBondContact O-N 3.45Å; G658-H661 PolarHBondContact O-N 2.89Å; G658-L662 WeakPolarHBondContact O-CB 3.48Å; G658-L662 PolarHBondContact O-N 2.83Å; G658-S682 VanDerWaalsContact CA-OG 3.31Å; G658-S682 WeakPolarHBondContact CA-OG 3.48Å |
| 659 | I | 93 | Very high | 85.7 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 176.1 | -71.5 | 164.3 | 0 | 0 | 0 | 110.9 | L655 E656 L662 M663 L740 L743 K744 R747 | L655-I659 WeakPolarHBondContact O-CB 3.39Å; L655-I659 WeakPolarHBondContact O-CD1 3.31Å; L655-I659 VanDerWaalsContact O-CG1 3.22Å; L655-I659 WeakPolarHBondContact O-CG1 3.4Å; L655-I659 PolarHBondContact O-N 2.89Å; E656-I659 PolarHBondContact O-N 2.9Å; I659-L662 PolarHBondContact O-N 2.71Å; I659-M663 HydrophobicContact CG2-CE 4.01Å; I659-M663 HydrophobicContact CG2-CG 4.4Å; I659-M663 HydrophobicContact CG2-SD 4.33Å; I659-M663 WeakPolarHBondContact O-CB 3.46Å; I659-M663 WeakPolarHBondContact O-CG 3.3Å; I659-M663 PolarHBondContact O-N 2.98Å; I659-L740 HydrophobicContact CG2-CD1 3.99Å; I659-L743 HydrophobicContact CD1-CB 4.11Å; I659-L743 HydrophobicContact CG1-CB 3.88Å; I659-K744 HydrophobicContact CD1-CG 4.05Å; I659-K744 HydrophobicContact CG2-CG 4.35Å; I659-R747 HydrophobicContact CD1-CB 4.38Å |
| 660 | S | 83.9 | Confident | 84.8 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 179.4 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | E656 R657 G658 L662 M663 V664 | E656-S660 VanDerWaalsContact O-CB 3.25Å; E656-S660 WeakPolarHBondContact O-CB 3.44Å; E656-S660 PolarHBondContact O-N 2.93Å; E656-S660 PolarHBondContact O-OG 2.74Å; R657-S660 PolarHBondContact O-N 3.41Å; G658-S660 VanDerWaalsContact C-N 3.34Å; G658-S660 PolarHBondContact O-N 3.45Å; S660-L662 VanDerWaalsContact C-N 3.34Å; S660-L662 PolarHBondContact O-N 2.82Å; S660-M663 PolarHBondContact O-N 3.38Å; S660-V664 VanDerWaalsContact O-CG2 3.3Å; S660-V664 WeakPolarHBondContact O-CG2 2.82Å; S660-V664 PolarHBondContact O-N 3.16Å |
| 661 | H | 84.4 | Confident | 84.1 | Confident | 115 Ų | 115 | 56.7 Ų | 56.7 | 53% | 0.532 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 175.5 | -67.5 | 161 | 0 | 0 | 0 | 112.2 | R657 G658 V664 A665 L678 | R657-H661 VanDerWaalsContact O-CG 3.3Å; R657-H661 PolarHBondContact O-N 3.24Å; R657-H661 PolarHBondContact O-ND1 3.5Å; G658-H661 PolarHBondContact O-N 2.89Å; H661-V664 PolarHBondContact O-N 2.77Å; H661-A665 WeakPolarHBondContact O-CB 3.4Å; H661-A665 PolarHBondContact O-N 3.45Å; H661-L678 HydrophobicContact CB-CD2 4.46Å |
| 662 | L | 85.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 177.1 | -177.3 | 58 | 0 | 0 | 0 | 111.8 | G658 I659 S660 V664 A665 I666 Q675 L678 A679 I736 L740 L743 | G658-L662 WeakPolarHBondContact O-CB 3.48Å; G658-L662 PolarHBondContact O-N 2.83Å; I659-L662 PolarHBondContact O-N 2.71Å; S660-L662 VanDerWaalsContact C-N 3.34Å; S660-L662 PolarHBondContact O-N 2.82Å; L662-V664 VanDerWaalsContact C-N 3.33Å; L662-V664 PolarHBondContact O-N 3.41Å; L662-A665 WeakPolarHBondContact O-CB 2.89Å; L662-A665 PolarHBondContact O-N 2.68Å; L662-I666 HydrophobicContact CD1-CD1 4.31Å; L662-I666 HydrophobicContact CD1-CG1 4.44Å; L662-I666 HydrophobicContact CG-CD1 4.02Å; L662-I666 VanDerWaalsContact O-CG1 3.3Å; L662-I666 WeakPolarHBondContact O-CG1 3.46Å; L662-I666 PolarHBondContact O-N 2.96Å; L662-Q675 HydrophobicContact CD1-CB 4.08Å; L662-Q675 VanDerWaalsContact CD1-O 3.28Å; L662-Q675 WeakPolarHBondContact CD1-O 3.48Å; L662-L678 HydrophobicContact CD1-CB 4.27Å; L662-A679 HydrophobicContact CD2-CB 4.01Å; L662-I736 HydrophobicContact CD1-CG2 4.18Å; L662-I736 HydrophobicContact CD2-CG2 4.49Å; L662-L740 HydrophobicContact CD2-CB 4.34Å; L662-L740 HydrophobicContact CD2-CD1 4.02Å; L662-L740 HydrophobicContact CG-CD1 4.49Å; L662-L743 HydrophobicContact CD2-CD1 4.38Å |
| 663 | M | 83 | Confident | 82.8 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 30% | 0.3 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.6 | -73.7 | -166.6 | -56.3 | 0 | 0 | 112.5 | I659 S660 K667 L740 | I659-M663 HydrophobicContact CG2-CE 4.01Å; I659-M663 HydrophobicContact CG2-CG 4.4Å; I659-M663 HydrophobicContact CG2-SD 4.33Å; I659-M663 WeakPolarHBondContact O-CB 3.46Å; I659-M663 WeakPolarHBondContact O-CG 3.3Å; I659-M663 PolarHBondContact O-N 2.98Å; S660-M663 PolarHBondContact O-N 3.38Å; M663-K667 WeakPolarHBondContact O-CB 3.35Å; M663-K667 WeakPolarHBondContact O-CG 3.3Å; M663-K667 PolarHBondContact O-N 2.85Å; M663-L740 HydrophobicContact CG-CD1 4.17Å; M663-L740 HydrophobicContact CG-CD2 4.28Å |
| 664 | V | 73.2 | Confident | 82.3 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | S660 H661 L662 K667 A668 | S660-V664 VanDerWaalsContact O-CG2 3.3Å; S660-V664 WeakPolarHBondContact O-CG2 2.82Å; S660-V664 PolarHBondContact O-N 3.16Å; H661-V664 PolarHBondContact O-N 2.77Å; L662-V664 VanDerWaalsContact C-N 3.33Å; L662-V664 PolarHBondContact O-N 3.41Å; V664-K667 PolarHBondContact O-N 2.82Å; V664-A668 VanDerWaalsContact O-CB 3.24Å; V664-A668 WeakPolarHBondContact O-CB 3.16Å; V664-A668 PolarHBondContact O-N 2.84Å |
| 665 | A | 76.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.017 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H661 L662 A668 N669 L670 Q675 L678 | H661-A665 WeakPolarHBondContact O-CB 3.4Å; H661-A665 PolarHBondContact O-N 3.45Å; L662-A665 WeakPolarHBondContact O-CB 2.89Å; L662-A665 PolarHBondContact O-N 2.68Å; A665-A668 PolarHBondContact O-N 2.93Å; A665-N669 PolarHBondContact O-N 3.42Å; A665-L670 HydrophobicContact CB-CB 4.38Å; A665-L670 HydrophobicContact CB-CD1 3.81Å; A665-L670 HydrophobicContact CB-CG 4.34Å; A665-L670 PolarHBondContact O-N 3Å; A665-Q675 HydrophobicContact CB-CG 4.16Å; A665-L678 HydrophobicContact CB-CD1 3.63Å |
| 666 | I | 77.7 | Confident | 81.5 | Confident | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.226 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -50.6 | 175.2 | -67.4 | 164.5 | 0 | 0 | 0 | 110.1 | L662 A668 N669 I736 L740 | L662-I666 HydrophobicContact CD1-CD1 4.31Å; L662-I666 HydrophobicContact CD1-CG1 4.44Å; L662-I666 HydrophobicContact CG-CD1 4.02Å; L662-I666 VanDerWaalsContact O-CG1 3.3Å; L662-I666 WeakPolarHBondContact O-CG1 3.46Å; L662-I666 PolarHBondContact O-N 2.96Å; I666-A668 PolarHBondContact O-N 3.45Å; I666-N669 PolarHBondContact O-N 3.06Å; I666-N669 PolarHBondContact O-OD1 3.27Å; I666-I736 HydrophobicContact CD1-CG2 3.9Å; I666-I736 HydrophobicContact CG1-CG2 4.33Å; I666-L740 HydrophobicContact CD1-CD2 4.09Å |
| 667 | K | 65.2 | Low | 81.2 | Confident | 172 Ų | 172 | 73.1 Ų | 73.1 | 75% | 0.748 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.4 | -33.4 | 178.5 | -76.7 | -179.1 | 179.2 | 179.8 | 0 | 112.9 | M663 V664 N669 | M663-K667 WeakPolarHBondContact O-CB 3.35Å; M663-K667 WeakPolarHBondContact O-CG 3.3Å; M663-K667 PolarHBondContact O-N 2.85Å; V664-K667 PolarHBondContact O-N 2.82Å; K667-N669 PolarHBondContact O-N 2.87Å |
| 668 | A | 64.2 | Low | 81.1 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 50% | 0.504 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V664 A665 I666 L670 | V664-A668 VanDerWaalsContact O-CB 3.24Å; V664-A668 WeakPolarHBondContact O-CB 3.16Å; V664-A668 PolarHBondContact O-N 2.84Å; A665-A668 PolarHBondContact O-N 2.93Å; I666-A668 PolarHBondContact O-N 3.45Å; A668-L670 HydrophobicContact CB-CD2 4.26Å; A668-L670 HydrophobicContact CB-CG 4.03Å; A668-L670 PolarHBondContact O-N 3.31Å |
| 669 | N | 69.4 | Low | 81.1 | Confident | 141 Ų | 141 | 69.7 Ų | 69.7 | 75% | 0.754 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 40.2 | -175.1 | -73 | -40.7 | 0 | 0 | 0 | 112.8 | A665 I666 K667 | A665-N669 PolarHBondContact O-N 3.42Å; I666-N669 PolarHBondContact O-N 3.06Å; I666-N669 PolarHBondContact O-OD1 3.27Å; K667-N669 PolarHBondContact O-N 2.87Å |
| 670 | L | 76.8 | Confident | 81 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | trans | -62.4 | 156.6 | 175.3 | -64.6 | -173.4 | 0 | 0 | 0 | 110.4 | A665 A668 I672 T674 Q675 | A665-L670 HydrophobicContact CB-CB 4.38Å; A665-L670 HydrophobicContact CB-CD1 3.81Å; A665-L670 HydrophobicContact CB-CG 4.34Å; A665-L670 PolarHBondContact O-N 3Å; A668-L670 HydrophobicContact CB-CD2 4.26Å; A668-L670 HydrophobicContact CB-CG 4.03Å; A668-L670 PolarHBondContact O-N 3.31Å; L670-I672 PolarHBondContact O-N 2.99Å; L670-T674 HydrophobicContact CD1-CG2 4.47Å; L670-Q675 PolarHBondContact O-NE2 3.39Å | ||
| 671 | P | 81.3 | Confident | 81.4 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | trans | -49.9 | 138.1 | 177.9 | -26.7 | 34.8 | 0 | 0 | 0 | 112 | E673 T674 Q675 | P671-E673 PolarHBondContact O-N 2.93Å; P671-E673 VanDerWaalsContact O-N 3.1Å; P671-T674 WeakPolarHBondContact O-CA 2.82Å; P671-T674 WeakPolarHBondContact O-CB 3.44Å; P671-T674 PolarHBondContact O-N 3.44Å; P671-Q675 PolarHBondContact O-N 3.02Å; P671-Q675 VanDerWaalsContact O-N 3.17Å | ||
| 672 | I | 82.5 | Confident | 81.9 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 65% | 0.651 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -53.8 | -34.4 | -178.7 | -67.1 | 167.4 | 0 | 0 | 0 | 111.1 | L670 T674 Q675 A676 I736 | L670-I672 PolarHBondContact O-N 2.99Å; I672-T674 VanDerWaalsContact C-N 3.34Å; I672-T674 PolarHBondContact O-N 2.85Å; I672-Q675 PolarHBondContact O-N 2.94Å; I672-A676 WeakPolarHBondContact O-CB 2.93Å; I672-A676 PolarHBondContact O-N 2.84Å; I672-I736 HydrophobicContact CG2-CD1 3.89Å |
| 673 | E | 84.7 | Confident | 82.3 | Confident | 153 Ų | 153 | 69.8 Ų | 69.8 | 72% | 0.715 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59 | -41.7 | 174.7 | -62.5 | 175.8 | -176.2 | 0 | 0 | 112.7 | P671 Q677 | P671-E673 PolarHBondContact O-N 2.93Å; P671-E673 VanDerWaalsContact O-N 3.1Å; E673-Q677 WeakPolarHBondContact O-CB 3.43Å; E673-Q677 VanDerWaalsContact O-CG 3.25Å; E673-Q677 WeakPolarHBondContact O-CG 3.45Å; E673-Q677 PolarHBondContact O-N 2.89Å |
| 674 | T | 83.4 | Confident | 82.9 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.5 | -40.8 | 177.3 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | L670 P671 I672 Q677 L678 | L670-T674 HydrophobicContact CD1-CG2 4.47Å; P671-T674 WeakPolarHBondContact O-CA 2.82Å; P671-T674 WeakPolarHBondContact O-CB 3.44Å; P671-T674 PolarHBondContact O-N 3.44Å; I672-T674 VanDerWaalsContact C-N 3.34Å; I672-T674 PolarHBondContact O-N 2.85Å; T674-Q677 PolarHBondContact O-N 3.23Å; T674-L678 WeakPolarHBondContact O-CG 3.38Å; T674-L678 PolarHBondContact O-N 3.46Å |
| 675 | Q | 85.5 | Confident | 84 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 175.6 | -59.8 | -178.7 | 19 | 0 | 0 | 111 | L662 A665 L670 P671 I672 L678 A679 I736 | L662-Q675 HydrophobicContact CD1-CB 4.08Å; L662-Q675 VanDerWaalsContact CD1-O 3.28Å; L662-Q675 WeakPolarHBondContact CD1-O 3.48Å; A665-Q675 HydrophobicContact CB-CG 4.16Å; L670-Q675 PolarHBondContact O-NE2 3.39Å; P671-Q675 PolarHBondContact O-N 3.02Å; P671-Q675 VanDerWaalsContact O-N 3.17Å; I672-Q675 PolarHBondContact O-N 2.94Å; Q675-L678 PolarHBondContact O-N 3.22Å; Q675-A679 PolarHBondContact O-N 2.66Å; Q675-I736 HydrophobicContact CB-CD1 3.61Å |
| 676 | A | 86.1 | Confident | 84.9 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I672 L678 A679 I680 | I672-A676 WeakPolarHBondContact O-CB 2.93Å; I672-A676 PolarHBondContact O-N 2.84Å; A676-L678 VanDerWaalsContact C-N 3.34Å; A676-L678 PolarHBondContact O-N 2.97Å; A676-A679 PolarHBondContact O-N 3.07Å; A676-I680 WeakPolarHBondContact O-CB 2.89Å; A676-I680 VanDerWaalsContact O-CG1 3.26Å; A676-I680 WeakPolarHBondContact O-CG1 3.41Å; A676-I680 PolarHBondContact O-N 3.35Å |
| 677 | Q | 89.3 | Confident | 85.8 | Confident | 128 Ų | 128 | 68.1 Ų | 68.1 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 174.8 | -78.2 | 172 | 2.9 | 0 | 0 | 112.6 | E673 T674 I680 S681 | E673-Q677 WeakPolarHBondContact O-CB 3.43Å; E673-Q677 VanDerWaalsContact O-CG 3.25Å; E673-Q677 WeakPolarHBondContact O-CG 3.45Å; E673-Q677 PolarHBondContact O-N 2.89Å; T674-Q677 PolarHBondContact O-N 3.23Å; Q677-I680 PolarHBondContact O-N 2.88Å; Q677-S681 VanDerWaalsContact O-CB 3.29Å; Q677-S681 WeakPolarHBondContact O-CB 3.23Å; Q677-S681 PolarHBondContact O-N 3.08Å |
| 678 | L | 88.3 | Confident | 87.2 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176 | -71.5 | 171.8 | 0 | 0 | 0 | 112 | H661 L662 A665 T674 Q675 A676 S681 S682 | H661-L678 HydrophobicContact CB-CD2 4.46Å; L662-L678 HydrophobicContact CD1-CB 4.27Å; A665-L678 HydrophobicContact CB-CD1 3.63Å; T674-L678 WeakPolarHBondContact O-CG 3.38Å; T674-L678 PolarHBondContact O-N 3.46Å; Q675-L678 PolarHBondContact O-N 3.22Å; A676-L678 VanDerWaalsContact C-N 3.34Å; A676-L678 PolarHBondContact O-N 2.97Å; L678-S681 PolarHBondContact O-N 3.22Å; L678-S682 WeakPolarHBondContact O-CB 3.38Å; L678-S682 PolarHBondContact O-N 2.69Å; L678-S682 PolarHBondContact O-OG 3.12Å |
| 679 | A | 89.8 | Confident | 88.6 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L662 Q675 A676 S682 L683 | L662-A679 HydrophobicContact CD2-CB 4.01Å; Q675-A679 PolarHBondContact O-N 2.66Å; A676-A679 PolarHBondContact O-N 3.07Å; A679-S682 PolarHBondContact O-N 2.9Å; A679-L683 WeakPolarHBondContact O-CG 3.4Å; A679-L683 PolarHBondContact O-N 3.08Å |
| 680 | I | 91.3 | Very high | 89.8 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.4 | -68 | 165.1 | 0 | 0 | 0 | 110.8 | A676 Q677 S682 L683 D684 | A676-I680 WeakPolarHBondContact O-CB 2.89Å; A676-I680 VanDerWaalsContact O-CG1 3.26Å; A676-I680 WeakPolarHBondContact O-CG1 3.41Å; A676-I680 PolarHBondContact O-N 3.35Å; Q677-I680 PolarHBondContact O-N 2.88Å; I680-S682 VanDerWaalsContact C-N 3.29Å; I680-S682 PolarHBondContact O-N 3.21Å; I680-L683 PolarHBondContact O-N 3.19Å; I680-D684 WeakPolarHBondContact CG2-OD2 3.34Å; I680-D684 WeakPolarHBondContact O-CB 3.28Å; I680-D684 PolarHBondContact O-N 2.82Å |
| 681 | S | 91.5 | Very high | 90.6 | Very high | 71 Ų | 71 | 57 Ų | 57 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 177.4 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | Q677 L678 D684 E685 | Q677-S681 VanDerWaalsContact O-CB 3.29Å; Q677-S681 WeakPolarHBondContact O-CB 3.23Å; Q677-S681 PolarHBondContact O-N 3.08Å; L678-S681 PolarHBondContact O-N 3.22Å; S681-D684 PolarHBondContact O-N 3.36Å; S681-E685 WeakPolarHBondContact O-CB 3.41Å; S681-E685 PolarHBondContact O-N 3.1Å |
| 682 | S | 94.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 178.5 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | G658 L678 A679 I680 F686 | G658-S682 VanDerWaalsContact CA-OG 3.31Å; G658-S682 WeakPolarHBondContact CA-OG 3.48Å; L678-S682 WeakPolarHBondContact O-CB 3.38Å; L678-S682 PolarHBondContact O-N 2.69Å; L678-S682 PolarHBondContact O-OG 3.12Å; A679-S682 PolarHBondContact O-N 2.9Å; I680-S682 VanDerWaalsContact C-N 3.29Å; I680-S682 PolarHBondContact O-N 3.21Å; S682-F686 WeakPolarHBondContact O-CB 3.33Å; S682-F686 PolarHBondContact O-N 3.23Å |
| 683 | L | 95 | Very high | 91.5 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.8 | -43 | 174.4 | -73.5 | 167.4 | 0 | 0 | 0 | 111.8 | A679 I680 F686 I687 A726 T729 R730 L743 Y746 | A679-L683 WeakPolarHBondContact O-CG 3.4Å; A679-L683 PolarHBondContact O-N 3.08Å; I680-L683 PolarHBondContact O-N 3.19Å; L683-F686 PolarHBondContact O-N 3.42Å; L683-I687 WeakPolarHBondContact O-CB 3.47Å; L683-I687 WeakPolarHBondContact O-CD1 3.45Å; L683-I687 WeakPolarHBondContact O-CG1 3.25Å; L683-I687 PolarHBondContact O-N 3.22Å; L683-A726 HydrophobicContact CD2-CB 4.37Å; L683-T729 HydrophobicContact CD1-CG2 4.29Å; L683-T729 HydrophobicContact CD2-CG2 4.25Å; L683-R730 HydrophobicContact CD1-CB 4.02Å; L683-R730 HydrophobicContact CD1-CG 4.37Å; L683-L743 HydrophobicContact CD2-CD2 3.71Å; L683-L743 HydrophobicContact CD2-CG 4.4Å; L683-L743 HydrophobicContact CG-CD2 4.05Å; L683-Y746 HydrophobicContact CD2-CE2 4.09Å |
| 684 | D | 95.3 | Very high | 92 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 178.8 | -79.4 | -26 | 0 | 0 | 0 | 111.7 | I680 S681 I687 M688 R730 | I680-D684 WeakPolarHBondContact CG2-OD2 3.34Å; I680-D684 WeakPolarHBondContact O-CB 3.28Å; I680-D684 PolarHBondContact O-N 2.82Å; S681-D684 PolarHBondContact O-N 3.36Å; D684-I687 PolarHBondContact O-N 2.99Å; D684-M688 WeakPolarHBondContact O-CB 3.19Å; D684-M688 PolarHBondContact O-N 2.77Å; D684-R730 WeakPolarHBondContact OD1-CD 3.38Å; D684-R730 IonicContact OD1-CZ 3.64Å; D684-R730 VanDerWaalsContact OD1-CZ 3.31Å; D684-R730 IonicContact OD1-NE 2.78Å; D684-R730 PolarHBondContact OD1-NE 3.14Å; D684-R730 IonicContact OD1-NH2 3.29Å; D684-R730 PolarHBondContact OD1-NH2 3.36Å; D684-R730 IonicContact OD2-CZ 3.45Å; D684-R730 IonicContact OD2-NE 2.85Å; D684-R730 IonicContact OD2-NH2 3.41Å; D684-R730 PolarHBondContact OD2-NH2 3.48Å |
| 685 | E | 95.4 | Very high | 92.4 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 173.8 | -172.5 | 168.9 | -141.9 | 0 | 0 | 111.1 | S681 I687 M688 D689 | S681-E685 WeakPolarHBondContact O-CB 3.41Å; S681-E685 PolarHBondContact O-N 3.1Å; E685-I687 PolarHBondContact O-N 3.29Å; E685-M688 WeakPolarHBondContact O-CB 3.45Å; E685-M688 PolarHBondContact O-N 3.06Å; E685-D689 WeakPolarHBondContact O-CB 3.35Å; E685-D689 PolarHBondContact O-N 2.81Å |
| 686 | F | 96.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 177.4 | -178.6 | -118.6 | 0 | 0 | 0 | 113.4 | I651 L655 S682 L683 M688 D689 C690 L722 A726 Y746 I750 | I651-F686 HydrophobicContact CG2-CD2 3.61Å; I651-F686 HydrophobicContact CG2-CE2 3.54Å; L655-F686 HydrophobicContact CD1-CD2 3.47Å; L655-F686 VanDerWaalsContact CD1-CD2 3.47Å; L655-F686 HydrophobicContact CD1-CE2 3.52Å; L655-F686 HydrophobicContact CD1-CG 4.17Å; L655-F686 HydrophobicContact CD1-CZ 4.24Å; L655-F686 HydrophobicContact CD2-CB 3.76Å; L655-F686 HydrophobicContact CD2-CD2 3.85Å; L655-F686 HydrophobicContact CD2-CG 3.79Å; L655-F686 HydrophobicContact CG-CB 4.38Å; L655-F686 HydrophobicContact CG-CD2 3.69Å; L655-F686 HydrophobicContact CG-CE2 4.26Å; L655-F686 HydrophobicContact CG-CG 4.17Å; S682-F686 WeakPolarHBondContact O-CB 3.33Å; S682-F686 PolarHBondContact O-N 3.23Å; L683-F686 PolarHBondContact O-N 3.42Å; F686-M688 VanDerWaalsContact C-N 3.28Å; F686-M688 PolarHBondContact O-N 2.98Å; F686-D689 WeakPolarHBondContact O-CB 3.39Å; F686-D689 PolarHBondContact O-N 2.93Å; F686-C690 PolarHBondContact O-N 3.29Å; F686-C690 PolarHBondContact O-SG 2.82Å; F686-L722 HydrophobicContact CE1-CB 4.27Å; F686-L722 HydrophobicContact CZ-CB 4.05Å; F686-L722 HydrophobicContact CZ-CD1 4.37Å; F686-A726 HydrophobicContact CD1-CB 3.72Å; F686-A726 HydrophobicContact CE1-CB 3.97Å; F686-Y746 AromaticContact CD1-CD2 3.89Å; F686-Y746 HydrophobicContact CD1-CD2 3.89Å; F686-Y746 HydrophobicContact CD1-CG 4.45Å; F686-Y746 AromaticContact CE1-CD2 3.62Å; F686-Y746 HydrophobicContact CE1-CD2 3.62Å; F686-Y746 HydrophobicContact CE1-CE2 4.42Å; F686-Y746 AromaticContact CE1-CG 3.76Å; F686-Y746 HydrophobicContact CE1-CG 3.76Å; F686-Y746 HydrophobicContact CZ-CD2 4.46Å; F686-Y746 HydrophobicContact CZ-CG 4.22Å; F686-I750 HydrophobicContact CE2-CD1 4.18Å; F686-I750 HydrophobicContact CE2-CG1 3.97Å; F686-I750 HydrophobicContact CZ-CD1 4.4Å; F686-I750 HydrophobicContact CZ-CG1 4.29Å |
| 687 | I | 95.7 | Very high | 92.7 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -39.3 | 175.9 | -70.6 | 161.8 | 0 | 0 | 0 | 110.5 | L683 D684 E685 N691 R723 A726 I727 | L683-I687 WeakPolarHBondContact O-CB 3.47Å; L683-I687 WeakPolarHBondContact O-CD1 3.45Å; L683-I687 WeakPolarHBondContact O-CG1 3.25Å; L683-I687 PolarHBondContact O-N 3.22Å; D684-I687 PolarHBondContact O-N 2.99Å; E685-I687 PolarHBondContact O-N 3.29Å; I687-N691 PolarHBondContact O-ND2 3.29Å; I687-R723 HydrophobicContact CG2-CG 4.31Å; I687-A726 HydrophobicContact CD1-CB 4.28Å; I687-A726 HydrophobicContact CG1-CB 3.71Å; I687-I727 HydrophobicContact CD1-CG1 3.86Å; I687-I727 HydrophobicContact CG1-CG1 4.13Å; I687-I727 HydrophobicContact CG2-CD1 4.47Å; I687-I727 HydrophobicContact CG2-CG1 4.18Å |
| 688 | M | 94.8 | Very high | 92.7 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.5 | -49 | 176.2 | -171.7 | -178.3 | 73.3 | 0 | 0 | 110.9 | D684 E685 F686 C690 N691 | D684-M688 WeakPolarHBondContact O-CB 3.19Å; D684-M688 PolarHBondContact O-N 2.77Å; E685-M688 WeakPolarHBondContact O-CB 3.45Å; E685-M688 PolarHBondContact O-N 3.06Å; F686-M688 VanDerWaalsContact C-N 3.28Å; F686-M688 PolarHBondContact O-N 2.98Å; M688-C690 VanDerWaalsContact C-N 3.29Å; M688-C690 PolarHBondContact O-N 2.88Å; M688-N691 WeakPolarHBondContact O-CB 3.39Å; M688-N691 PolarHBondContact O-N 2.89Å; M688-N691 PolarHBondContact O-ND2 2.73Å |
| 689 | D | 94.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.8 | -41.4 | 178.3 | -87.3 | -0.8 | 0 | 0 | 0 | 112.3 | I651 H654 E685 F686 N691 H692 | I651-D689 HydrophobicContact CB-CB 4.44Å; I651-D689 HydrophobicContact CD1-CB 4.18Å; I651-D689 HydrophobicContact CG1-CB 3.86Å; I651-D689 HydrophobicContact CG2-CB 4.02Å; H654-D689 IonicContact CE1-OD2 3.78Å; H654-D689 IonicContact CG-OD2 2.98Å; H654-D689 IonicContact ND1-OD1 2.79Å; H654-D689 IonicContact ND1-OD2 3.17Å; H654-D689 PolarHBondContact ND1-OD2 2.96Å; E685-D689 WeakPolarHBondContact O-CB 3.35Å; E685-D689 PolarHBondContact O-N 2.81Å; F686-D689 WeakPolarHBondContact O-CB 3.39Å; F686-D689 PolarHBondContact O-N 2.93Å; D689-N691 PolarHBondContact O-N 2.9Å; D689-N691 VanDerWaalsContact O-N 3.13Å; D689-H692 WeakPolarHBondContact O-CB 3.43Å; D689-H692 PolarHBondContact O-CD2 3.09Å; D689-H692 PolarHBondContact O-N 3.05Å; D689-H692 VanDerWaalsContact O-N 3.1Å |
| 690 | C | 94.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.7 | 175.8 | -69.7 | 0 | 0 | 0 | 0 | 114.6 | F686 M688 R723 | F686-C690 PolarHBondContact O-N 3.29Å; F686-C690 PolarHBondContact O-SG 2.82Å; M688-C690 VanDerWaalsContact C-N 3.29Å; M688-C690 PolarHBondContact O-N 2.88Å; C690-R723 HydrophobicContact CB-CB 3.84Å; C690-R723 HydrophobicContact CB-CG 4.25Å |
| 691 | N | 93 | Very high | 92 | Very high | 90 Ų | 90 | 59.2 Ų | 59.2 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.5 | 175.4 | -58.6 | -63.7 | 0 | 0 | 0 | 113.4 | I687 M688 D689 T693 R723 | I687-N691 PolarHBondContact O-ND2 3.29Å; M688-N691 WeakPolarHBondContact O-CB 3.39Å; M688-N691 PolarHBondContact O-N 2.89Å; M688-N691 PolarHBondContact O-ND2 2.73Å; D689-N691 PolarHBondContact O-N 2.9Å; D689-N691 VanDerWaalsContact O-N 3.13Å; N691-T693 PolarHBondContact O-N 2.84Å; N691-R723 VanDerWaalsContact OD1-CD 3.3Å; N691-R723 WeakPolarHBondContact OD1-CD 3.46Å; N691-R723 PolarHBondContact OD1-NE 2.87Å |
| 692 | H | 92 | Very high | 91.9 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -67.1 | 127.9 | 176 | -74.9 | -107.7 | 0 | 0 | 0 | 109.8 | L647 D689 D792 | L647-H692 HydrophobicContact CD1-CB 3.81Å; L647-H692 HydrophobicContact CD2-CB 3.98Å; D689-H692 WeakPolarHBondContact O-CB 3.43Å; D689-H692 PolarHBondContact O-CD2 3.09Å; D689-H692 PolarHBondContact O-N 3.05Å; D689-H692 VanDerWaalsContact O-N 3.1Å; H692-D792 IonicContact CE1-OD1 3.79Å; H692-D792 IonicContact CE1-OD2 2.85Å; H692-D792 PolarHBondContact CE1-OD2 3.3Å; H692-D792 IonicContact CG-OD2 3.6Å; H692-D792 IonicContact ND1-OD1 3.53Å; H692-D792 IonicContact ND1-OD2 3.08Å; H692-D792 PolarHBondContact ND1-OD2 3.03Å |
| 693 | T | 91.9 | Very high | 91.6 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 61% | 0.613 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 140.4 | -178.5 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | N691 Y793 | N691-T693 PolarHBondContact O-N 2.84Å; T693-Y793 PolarHBondContact O-OH 3.15Å |
| 694 | L | 94 | Very high | 91.4 | Very high | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 151.5 | 169.4 | -62.2 | 178.5 | 0 | 0 | 0 | 110.9 | A644 L647 Q696 R712 R715 E716 L719 | A644-L694 HydrophobicContact CB-CD2 4.12Å; L647-L694 HydrophobicContact CD2-CD2 4.16Å; L694-Q696 PolarHBondContact O-N 2.9Å; L694-R712 HydrophobicContact CD1-CG 4.11Å; L694-R715 HydrophobicContact CD1-CB 3.66Å; L694-E716 HydrophobicContact CD1-CG 3.73Å; L694-E716 HydrophobicContact CG-CG 4.37Å; L694-L719 HydrophobicContact CD2-CD1 4.37Å |
| 695 | P | 92.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 137.5 | 175.2 | -23.1 | 30 | 0 | 0 | 0 | 112.8 | F640 A644 Y793 | F640-P695 HydrophobicContact CB-CB 4.32Å; A644-P695 HydrophobicContact CB-CG 4.48Å; P695-Y793 HydrophobicContact CB-CD2 4.25Å; P695-Y793 HydrophobicContact CB-CE2 4.08Å; P695-Y793 HydrophobicContact CG-CD1 3.68Å; P695-Y793 HydrophobicContact CG-CD2 3.88Å; P695-Y793 HydrophobicContact CG-CE1 3.73Å; P695-Y793 HydrophobicContact CG-CE2 3.93Å; P695-Y793 HydrophobicContact CG-CG 3.79Å |
| 696 | Q | 89 | Confident | 91.1 | Very high | 151 Ų | 151 | 59.5 Ų | 59.5 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 149.1 | 174.8 | -64.7 | -171 | 3.1 | 0 | 0 | 111 | L694 | L694-Q696 PolarHBondContact O-N 2.9Š|
| 697 | W | 89.3 | Confident | 90.9 | Very high | 109 Ų | 109 | 59.4 Ų | 59.4 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 132.8 | 170.4 | 173.9 | 86 | 0 | 0 | 0 | 110.3 | I702 Q704 | W697-I702 PolarHBondContact NE1-O 3.02Å; W697-Q704 HydrophobicContact CG-CB 4.41Å |
| 698 | E | 87.7 | Confident | 90.8 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | trans | -113.4 | 156 | 175.9 | -50.9 | -174.9 | 161.1 | 0 | 0 | 111.6 | E700 N701 | E698-E700 PolarHBondContact O-N 3.48Å; E698-N701 WeakPolarHBondContact CA-OD1 3.48Å; E698-N701 VanDerWaalsContact CB-OD1 3.23Å; E698-N701 WeakPolarHBondContact CB-OD1 2.92Å; E698-N701 PolarHBondContact N-OD1 2.97Å; E698-N701 WeakPolarHBondContact O-CB 3.28Å; E698-N701 PolarHBondContact O-N 3.07Å; E698-N701 PolarHBondContact O-OD1 3.13Å | ||
| 699 | P | 83.7 | Confident | 90.7 | Very high | 107 Ų | 107 | 57.6 Ų | 57.6 | 70% | 0.695 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.6 | 179.9 | -24.9 | 34.6 | 0 | 0 | 0 | 115.3 | ||
| 700 | E | 83.5 | Confident | 90.6 | Very high | 108 Ų | 108 | 59.5 Ų | 59.5 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -23.2 | 177.5 | -58.4 | -174.4 | 168.8 | 0 | 0 | 112.7 | R559 E698 | R559-E700 IonicContact CZ-OE2 3.23Å; R559-E700 IonicContact NH1-OE2 3.28Å; R559-E700 PolarHBondContact NH1-OE2 3.08Å; R559-E700 IonicContact NH2-OE2 3.01Å; R559-E700 PolarHBondContact NH2-OE2 2.94Å; E698-E700 PolarHBondContact O-N 3.48Å |
| 701 | N | 88 | Confident | 90.4 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -69.1 | 167.6 | 176.1 | -62.5 | 95.2 | 0 | 0 | 0 | 111.4 | D637 F640 E698 | D637-N701 WeakPolarHBondContact O-CA 3.42Å; D637-N701 WeakPolarHBondContact O-CB 3.25Å; D637-N701 PolarHBondContact O-ND2 3.08Å; D637-N701 PolarHBondContact OD1-ND2 3.21Å; D637-N701 VanDerWaalsContact OD1-ND2 3.12Å; F640-N701 HydrophobicContact CD1-CB 4.07Å; F640-N701 HydrophobicContact CE1-CB 4.35Å; E698-N701 WeakPolarHBondContact CA-OD1 3.48Å; E698-N701 VanDerWaalsContact CB-OD1 3.23Å; E698-N701 WeakPolarHBondContact CB-OD1 2.92Å; E698-N701 PolarHBondContact N-OD1 2.97Å; E698-N701 WeakPolarHBondContact O-CB 3.28Å; E698-N701 PolarHBondContact O-N 3.07Å; E698-N701 PolarHBondContact O-OD1 3.13Å |
| 702 | I | 90.2 | Very high | 90.4 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 150.6 | 165 | 59.1 | 165.8 | 0 | 0 | 0 | 110.9 | E636 D637 I638 F640 W697 Q704 | E636-I702 HydrophobicContact CB-CG2 3.58Å; E636-I702 HydrophobicContact CG-CG2 4.27Å; D637-I702 PolarHBondContact O-N 2.94Å; I638-I702 HydrophobicContact CG2-CD1 3.49Å; I638-I702 VanDerWaalsContact CG2-CD1 3.49Å; I638-I702 HydrophobicContact CG2-CG1 3.97Å; F640-I702 HydrophobicContact CE1-CG1 4Å; W697-I702 PolarHBondContact NE1-O 3.02Å; I702-Q704 PolarHBondContact O-N 3.06Å |
| 703 | P | 88.6 | Confident | 90.3 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 28% | 0.279 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 132 | 173.9 | -22.5 | 32.4 | 0 | 0 | 0 | 111.2 | K554 N705 | K554-P703 HydrophobicContact CB-CG 3.53Å; K554-P703 HydrophobicContact CD-CG 4.36Å; P703-N705 PolarHBondContact O-N 3.44Å |
| 704 | Q | 89.2 | Confident | 90 | Very high | 76 Ų | 76 | 59.3 Ų | 59.3 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 129 | 173.5 | -167.3 | -179.6 | 15 | 0 | 0 | 109.7 | W697 I702 D708 I709 | W697-Q704 HydrophobicContact CG-CB 4.41Å; I702-Q704 PolarHBondContact O-N 3.06Å; Q704-D708 HydrophobicContact CG-CB 3.5Å; Q704-D708 VanDerWaalsContact CG-CB 3.5Å; Q704-I709 HydrophobicContact CG-CG1 3.94Å |
| 705 | N | 92.7 | Very high | 89.9 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.064 | 29% | 0.286 | C | S | . | . | trans | -100.2 | 176.6 | 175.8 | 70 | 31.1 | 0 | 0 | 0 | 111.9 | G487 P488 R641 P703 M707 D708 I709 Q758 | G487-N705 VanDerWaalsContact C-ND2 3.34Å; G487-N705 WeakPolarHBondContact CA-ND2 3.48Å; G487-N705 WeakPolarHBondContact O-CB 3.46Å; G487-N705 PolarHBondContact O-ND2 3.38Å; P488-N705 PolarHBondContact O-ND2 3.35Å; R641-N705 PolarHBondContact NH2-ND2 2.8Å; P703-N705 PolarHBondContact O-N 3.44Å; N705-M707 VanDerWaalsContact C-N 3.32Å; N705-M707 PolarHBondContact O-N 2.85Å; N705-M707 WeakPolarHBondContact OD1-CB 3.31Å; N705-M707 PolarHBondContact OD1-N 2.91Å; N705-D708 VanDerWaalsContact CG-OD2 3.22Å; N705-D708 PolarHBondContact N-OD2 3.24Å; N705-D708 WeakPolarHBondContact O-CB 3.33Å; N705-D708 PolarHBondContact O-N 3.07Å; N705-D708 PolarHBondContact OD1-N 2.8Å; N705-D708 PolarHBondContact OD1-OD2 3.18Å; N705-D708 VanDerWaalsContact OD1-OD2 3.07Å; N705-I709 WeakPolarHBondContact O-CG1 3.45Å; N705-I709 PolarHBondContact O-N 3.17Å; N705-Q758 PolarHBondContact ND2-OE1 3.2Å; N705-Q758 PolarHBondContact OD1-NE2 3.04Å; N705-Q758 PolarHBondContact OD1-OE1 3.5Å | ||
| 706 | E | 91.5 | Very high | 89.9 | Confident | 100 Ų | 100 | 62 Ų | 62 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | -176.5 | -171 | 179.3 | 162.2 | 0 | 0 | 112 | T485 D708 I709 H710 | T485-E706 HydrophobicContact CG2-CB 3.96Å; T485-E706 HydrophobicContact CG2-CG 4.11Å; E706-D708 VanDerWaalsContact C-N 3.33Å; E706-D708 PolarHBondContact O-N 3.41Å; E706-I709 PolarHBondContact O-N 2.86Å; E706-H710 PolarHBondContact O-N 3.04Å; E706-H710 IonicContact OE1-CE1 3.72Å; E706-H710 PolarHBondContact OE1-CE1 3.02Å |
| 707 | M | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 176.7 | -177.1 | 57.1 | 177.6 | 0 | 0 | 112.2 | Q468 I469 F482 T485 N705 I709 H710 L711 P757 Q758 | Q468-M707 WeakPolarHBondContact O-CE 3.47Å; I469-M707 HydrophobicContact CB-CE 4.2Å; I469-M707 HydrophobicContact CG2-CE 4.19Å; F482-M707 HydrophobicContact CE2-CE 4.26Å; F482-M707 HydrophobicContact CE2-SD 3.64Å; F482-M707 HydrophobicContact CZ-CE 4.41Å; F482-M707 HydrophobicContact CZ-SD 4.15Å; T485-M707 VanDerWaalsContact O-SD 3.38Å; N705-M707 VanDerWaalsContact C-N 3.32Å; N705-M707 PolarHBondContact O-N 2.85Å; N705-M707 WeakPolarHBondContact OD1-CB 3.31Å; N705-M707 PolarHBondContact OD1-N 2.91Å; M707-I709 VanDerWaalsContact C-N 3.33Å; M707-I709 PolarHBondContact O-N 2.83Å; M707-H710 PolarHBondContact O-N 2.94Å; M707-L711 HydrophobicContact CE-CD1 3.66Å; M707-L711 HydrophobicContact CE-CD2 3.64Å; M707-L711 HydrophobicContact CE-CG 3.47Å; M707-L711 VanDerWaalsContact CE-CG 3.47Å; M707-L711 HydrophobicContact CG-CD1 4.25Å; M707-L711 HydrophobicContact CG-CG 4.34Å; M707-L711 WeakPolarHBondContact O-CB 3.48Å; M707-L711 WeakPolarHBondContact O-CG 3.35Å; M707-L711 PolarHBondContact O-N 3.21Å; M707-L711 HydrophobicContact SD-CD1 4.48Å; M707-L711 HydrophobicContact SD-CG 4.05Å; M707-P757 HydrophobicContact CE-CG 3.68Å; M707-Q758 HydrophobicContact CG-CG 4.26Å |
| 708 | D | 94.5 | Very high | 89.7 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.4 | -65.7 | -41.8 | 0 | 0 | 0 | 112.3 | F640 R641 Q704 N705 E706 R712 Q758 | F640-D708 HydrophobicContact CE2-CB 4Å; F640-D708 HydrophobicContact CZ-CB 4.4Å; R641-D708 IonicContact CZ-OD1 2.76Å; R641-D708 VanDerWaalsContact CZ-OD1 3.25Å; R641-D708 IonicContact CZ-OD2 2.8Å; R641-D708 IonicContact NE-OD1 3.75Å; R641-D708 PolarHBondContact NE-OD1 2.72Å; R641-D708 IonicContact NE-OD2 2.8Å; R641-D708 VanDerWaalsContact NH2-CG 3.32Å; R641-D708 IonicContact NH2-OD1 3.71Å; R641-D708 PolarHBondContact NH2-OD1 3.45Å; R641-D708 VanDerWaalsContact NH2-OD1 3.1Å; R641-D708 IonicContact NH2-OD2 3.62Å; R641-D708 PolarHBondContact NH2-OD2 3.12Å; Q704-D708 HydrophobicContact CG-CB 3.5Å; Q704-D708 VanDerWaalsContact CG-CB 3.5Å; N705-D708 VanDerWaalsContact CG-OD2 3.22Å; N705-D708 PolarHBondContact N-OD2 3.24Å; N705-D708 WeakPolarHBondContact O-CB 3.33Å; N705-D708 PolarHBondContact O-N 3.07Å; N705-D708 PolarHBondContact OD1-N 2.8Å; N705-D708 PolarHBondContact OD1-OD2 3.18Å; N705-D708 VanDerWaalsContact OD1-OD2 3.07Å; E706-D708 VanDerWaalsContact C-N 3.33Å; E706-D708 PolarHBondContact O-N 3.41Å; D708-R712 VanDerWaalsContact O-CB 3.23Å; D708-R712 WeakPolarHBondContact O-CB 3.17Å; D708-R712 PolarHBondContact O-N 3.13Å; D708-Q758 PolarHBondContact OD1-NE2 3.43Å |
| 709 | I | 92.9 | Very high | 89.9 | Confident | 88 Ų | 88 | 49 Ų | 49 | 45% | 0.451 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.3 | -47.2 | 178 | -63.3 | 166.7 | 0 | 0 | 0 | 109.5 | Q704 N705 E706 M707 R712 K713 | Q704-I709 HydrophobicContact CG-CG1 3.94Å; N705-I709 WeakPolarHBondContact O-CG1 3.45Å; N705-I709 PolarHBondContact O-N 3.17Å; E706-I709 PolarHBondContact O-N 2.86Å; M707-I709 VanDerWaalsContact C-N 3.33Å; M707-I709 PolarHBondContact O-N 2.83Å; I709-R712 PolarHBondContact O-N 3.1Å; I709-K713 PolarHBondContact O-N 2.96Å; I709-K713 VanDerWaalsContact O-N 3.1Å |
| 710 | H | 90.7 | Very high | 90.2 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | -179.7 | -67.7 | 167.8 | 0 | 0 | 0 | 112.6 | F482 E706 M707 R712 K713 L714 | F482-H710 VanDerWaalsContact CB-ND1 3.26Å; F482-H710 WeakPolarHBondContact CB-ND1 3.4Å; F482-H710 HydrophobicContact CD1-CB 3.67Å; F482-H710 AromaticContact CD1-CG 3.93Å; F482-H710 HydrophobicContact CD2-CB 4.05Å; F482-H710 AromaticContact CD2-ND1 3.47Å; F482-H710 WeakPolarHBondContact CD2-ND1 3.44Å; F482-H710 HydrophobicContact CE1-CB 3.74Å; F482-H710 HydrophobicContact CE2-CB 4.11Å; F482-H710 HydrophobicContact CG-CB 3.84Å; F482-H710 AromaticContact CG-CG 3.71Å; F482-H710 AromaticContact CG-ND1 3.32Å; F482-H710 VanDerWaalsContact CG-ND1 3.32Å; F482-H710 WeakPolarHBondContact CG-ND1 3.38Å; F482-H710 HydrophobicContact CZ-CB 3.98Å; E706-H710 PolarHBondContact O-N 3.04Å; E706-H710 IonicContact OE1-CE1 3.72Å; E706-H710 PolarHBondContact OE1-CE1 3.02Å; M707-H710 PolarHBondContact O-N 2.94Å; H710-R712 VanDerWaalsContact C-N 3.34Å; H710-R712 PolarHBondContact O-N 3.43Å; H710-K713 PolarHBondContact O-N 2.8Å; H710-L714 WeakPolarHBondContact O-CB 3.24Å; H710-L714 PolarHBondContact O-N 2.88Å |
| 711 | L | 90.7 | Very high | 90.3 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 177.3 | -80 | -178 | 0 | 0 | 0 | 112.5 | M707 L714 R715 P757 | M707-L711 HydrophobicContact CE-CD1 3.66Å; M707-L711 HydrophobicContact CE-CD2 3.64Å; M707-L711 HydrophobicContact CE-CG 3.47Å; M707-L711 VanDerWaalsContact CE-CG 3.47Å; M707-L711 HydrophobicContact CG-CD1 4.25Å; M707-L711 HydrophobicContact CG-CG 4.34Å; M707-L711 WeakPolarHBondContact O-CB 3.48Å; M707-L711 WeakPolarHBondContact O-CG 3.35Å; M707-L711 PolarHBondContact O-N 3.21Å; M707-L711 HydrophobicContact SD-CD1 4.48Å; M707-L711 HydrophobicContact SD-CG 4.05Å; L711-L714 PolarHBondContact O-N 3.11Å; L711-R715 WeakPolarHBondContact O-CB 3.44Å; L711-R715 VanDerWaalsContact O-CG 3.31Å; L711-R715 WeakPolarHBondContact O-CG 3.12Å; L711-R715 PolarHBondContact O-N 3.12Å; L711-P757 HydrophobicContact CD1-CG 4.37Å |
| 712 | R | 91.9 | Very high | 90.4 | Very high | 100 Ų | 100 | 44.4 Ų | 44.4 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62 | -49.3 | 177.9 | -178.2 | 171.8 | 178.5 | -111.2 | -14.3 | 110.9 | L694 D708 I709 H710 L714 R715 E716 | L694-R712 HydrophobicContact CD1-CG 4.11Å; D708-R712 VanDerWaalsContact O-CB 3.23Å; D708-R712 WeakPolarHBondContact O-CB 3.17Å; D708-R712 PolarHBondContact O-N 3.13Å; I709-R712 PolarHBondContact O-N 3.1Å; H710-R712 VanDerWaalsContact C-N 3.34Å; H710-R712 PolarHBondContact O-N 3.43Å; R712-L714 VanDerWaalsContact C-N 3.34Å; R712-L714 PolarHBondContact O-N 3.47Å; R712-R715 PolarHBondContact O-N 3.31Å; R712-E716 IonicContact CZ-OE1 2.7Å; R712-E716 IonicContact NE-OE1 3.37Å; R712-E716 PolarHBondContact NE-OE1 2.84Å; R712-E716 VanDerWaalsContact NE-OE1 3.15Å; R712-E716 IonicContact NH2-OE1 2.69Å; R712-E716 PolarHBondContact NH2-OE1 3.41Å; R712-E716 IonicContact NH2-OE2 2.67Å; R712-E716 WeakPolarHBondContact O-CG 3.28Å; R712-E716 PolarHBondContact O-N 3.03Å |
| 713 | K | 89.6 | Confident | 90.6 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.1 | -47 | 176.7 | -175.3 | 176.5 | 178 | 179.9 | 0 | 111.2 | E480 I709 H710 R715 E716 D717 | E480-K713 IonicContact OE2-NZ 3.85Å; E480-K713 PolarHBondContact OE2-NZ 2.79Å; I709-K713 PolarHBondContact O-N 2.96Å; I709-K713 VanDerWaalsContact O-N 3.1Å; H710-K713 PolarHBondContact O-N 2.8Å; K713-R715 PolarHBondContact O-N 3.3Å; K713-E716 PolarHBondContact O-N 2.87Å; K713-D717 WeakPolarHBondContact O-CB 3.16Å; K713-D717 VanDerWaalsContact O-CG 3.27Å; K713-D717 PolarHBondContact O-N 2.93Å |
| 714 | L | 87.6 | Confident | 90.7 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 30% | 0.298 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 177.1 | 179.7 | 66.7 | 0 | 0 | 0 | 112.4 | H710 L711 R712 Q718 | H710-L714 WeakPolarHBondContact O-CB 3.24Å; H710-L714 PolarHBondContact O-N 2.88Å; L711-L714 PolarHBondContact O-N 3.11Å; R712-L714 VanDerWaalsContact C-N 3.34Å; R712-L714 PolarHBondContact O-N 3.47Å; L714-Q718 HydrophobicContact CD1-CG 4.08Å; L714-Q718 WeakPolarHBondContact O-CB 3.49Å; L714-Q718 VanDerWaalsContact O-CG 3.23Å; L714-Q718 WeakPolarHBondContact O-CG 3.38Å; L714-Q718 PolarHBondContact O-N 2.89Å |
| 715 | R | 91.7 | Very high | 90.6 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 179.1 | -74 | 171.4 | 175.7 | 150.2 | 5.4 | 111.5 | L648 L694 L711 R712 K713 L719 L753 I755 E756 | L648-R715 HydrophobicContact CD1-CG 4.13Å; L694-R715 HydrophobicContact CD1-CB 3.66Å; L711-R715 WeakPolarHBondContact O-CB 3.44Å; L711-R715 VanDerWaalsContact O-CG 3.31Å; L711-R715 WeakPolarHBondContact O-CG 3.12Å; L711-R715 PolarHBondContact O-N 3.12Å; R712-R715 PolarHBondContact O-N 3.31Å; K713-R715 PolarHBondContact O-N 3.3Å; R715-L719 WeakPolarHBondContact O-CB 3.42Å; R715-L719 VanDerWaalsContact O-CG 3.26Å; R715-L719 WeakPolarHBondContact O-CG 3.45Å; R715-L719 PolarHBondContact O-N 2.89Å; R715-L753 PolarHBondContact NE-O 2.68Å; R715-L753 VanDerWaalsContact NE-O 3.1Å; R715-I755 PolarHBondContact NH2-O 2.51Å; R715-E756 IonicContact CZ-OE2 3.25Å; R715-E756 IonicContact NH1-OE2 3.17Å; R715-E756 PolarHBondContact NH1-OE2 3.09Å; R715-E756 VanDerWaalsContact NH1-OE2 3.09Å; R715-E756 IonicContact NH2-OE2 3.43Å; R715-E756 PolarHBondContact NH2-OE2 2.85Å |
| 716 | E | 91.7 | Very high | 90.6 | Very high | 63 Ų | 63 | 48.9 Ų | 48.9 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -47.8 | 177.1 | -71.6 | 175.8 | 168 | 0 | 0 | 111.8 | L694 R712 K713 Q718 L719 N720 | L694-E716 HydrophobicContact CD1-CG 3.73Å; L694-E716 HydrophobicContact CG-CG 4.37Å; R712-E716 IonicContact CZ-OE1 2.7Å; R712-E716 IonicContact NE-OE1 3.37Å; R712-E716 PolarHBondContact NE-OE1 2.84Å; R712-E716 VanDerWaalsContact NE-OE1 3.15Å; R712-E716 IonicContact NH2-OE1 2.69Å; R712-E716 PolarHBondContact NH2-OE1 3.41Å; R712-E716 IonicContact NH2-OE2 2.67Å; R712-E716 WeakPolarHBondContact O-CG 3.28Å; R712-E716 PolarHBondContact O-N 3.03Å; K713-E716 PolarHBondContact O-N 2.87Å; E716-Q718 PolarHBondContact O-N 3.45Å; E716-L719 PolarHBondContact O-N 2.81Å; E716-N720 WeakPolarHBondContact O-CB 3.3Å; E716-N720 VanDerWaalsContact O-CG 3.31Å; E716-N720 PolarHBondContact O-N 2.85Å; E716-N720 PolarHBondContact O-ND2 2.78Å; E716-N720 VanDerWaalsContact O-ND2 3.09Å |
| 717 | D | 86.6 | Confident | 90.7 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 179.8 | -69.7 | -18.2 | 0 | 0 | 0 | 111.6 | K713 T721 | K713-D717 WeakPolarHBondContact O-CB 3.16Å; K713-D717 VanDerWaalsContact O-CG 3.27Å; K713-D717 PolarHBondContact O-N 2.93Å; D717-T721 WeakPolarHBondContact O-CB 3.24Å; D717-T721 PolarHBondContact O-N 3.31Å; D717-T721 PolarHBondContact O-OG1 2.98Å |
| 718 | Q | 86.5 | Confident | 90.5 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.4 | -37.9 | 179.2 | -69.7 | -66 | -51.8 | 0 | 0 | 113 | L714 E716 T721 L722 L753 | L714-Q718 HydrophobicContact CD1-CG 4.08Å; L714-Q718 WeakPolarHBondContact O-CB 3.49Å; L714-Q718 VanDerWaalsContact O-CG 3.23Å; L714-Q718 WeakPolarHBondContact O-CG 3.38Å; L714-Q718 PolarHBondContact O-N 2.89Å; E716-Q718 PolarHBondContact O-N 3.45Å; Q718-T721 PolarHBondContact O-N 2.88Å; Q718-L722 WeakPolarHBondContact O-CB 3.23Å; Q718-L722 WeakPolarHBondContact O-CG 2.86Å; Q718-L722 PolarHBondContact O-N 3.18Å; Q718-L753 HydrophobicContact CB-CD1 3.69Å; Q718-L753 HydrophobicContact CB-CD2 4.05Å; Q718-L753 HydrophobicContact CG-CD2 4.08Å |
| 719 | L | 92.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 173.4 | -77 | 171.6 | 0 | 0 | 0 | 111.5 | L648 I651 L694 R715 E716 T721 L722 R723 I750 | L648-L719 HydrophobicContact CD2-CD1 4.11Å; L648-L719 HydrophobicContact CD2-CD2 3.97Å; L648-L719 HydrophobicContact CD2-CG 4.28Å; I651-L719 HydrophobicContact CD1-CD2 4.26Å; L694-L719 HydrophobicContact CD2-CD1 4.37Å; R715-L719 WeakPolarHBondContact O-CB 3.42Å; R715-L719 VanDerWaalsContact O-CG 3.26Å; R715-L719 WeakPolarHBondContact O-CG 3.45Å; R715-L719 PolarHBondContact O-N 2.89Å; E716-L719 PolarHBondContact O-N 2.81Å; L719-T721 VanDerWaalsContact C-N 3.34Å; L719-T721 PolarHBondContact O-N 3.13Å; L719-L722 PolarHBondContact O-N 2.93Å; L719-R723 VanDerWaalsContact O-CB 3.32Å; L719-R723 WeakPolarHBondContact O-CB 3.47Å; L719-R723 PolarHBondContact O-N 3.48Å; L719-I750 HydrophobicContact CD2-CD1 3.61Å |
| 720 | N | 90.8 | Very high | 90 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.4 | -73.4 | -35 | 0 | 0 | 0 | 111.7 | E716 R723 E724 | E716-N720 WeakPolarHBondContact O-CB 3.3Å; E716-N720 VanDerWaalsContact O-CG 3.31Å; E716-N720 PolarHBondContact O-N 2.85Å; E716-N720 PolarHBondContact O-ND2 2.78Å; E716-N720 VanDerWaalsContact O-ND2 3.09Å; N720-R723 WeakPolarHBondContact O-CB 3.49Å; N720-R723 PolarHBondContact O-N 3.4Å; N720-E724 WeakPolarHBondContact O-CG 3.36Å; N720-E724 PolarHBondContact O-N 3.4Å; N720-E724 VanDerWaalsContact O-N 3.1Å |
| 721 | T | 86.1 | Confident | 89.9 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | D717 Q718 L719 R723 E724 Q725 | D717-T721 WeakPolarHBondContact O-CB 3.24Å; D717-T721 PolarHBondContact O-N 3.31Å; D717-T721 PolarHBondContact O-OG1 2.98Å; Q718-T721 PolarHBondContact O-N 2.88Å; L719-T721 VanDerWaalsContact C-N 3.34Å; L719-T721 PolarHBondContact O-N 3.13Å; T721-R723 VanDerWaalsContact C-N 3.3Å; T721-R723 PolarHBondContact O-N 2.78Å; T721-E724 PolarHBondContact O-N 3.17Å; T721-Q725 WeakPolarHBondContact O-CG 3.3Å; T721-Q725 PolarHBondContact O-N 3Å |
| 722 | L | 90.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 177.4 | -75 | 171.7 | 0 | 0 | 0 | 112 | F686 Q718 L719 Q725 A726 Y746 T749 I750 L753 | F686-L722 HydrophobicContact CE1-CB 4.27Å; F686-L722 HydrophobicContact CZ-CB 4.05Å; F686-L722 HydrophobicContact CZ-CD1 4.37Å; Q718-L722 WeakPolarHBondContact O-CB 3.23Å; Q718-L722 WeakPolarHBondContact O-CG 2.86Å; Q718-L722 PolarHBondContact O-N 3.18Å; L719-L722 PolarHBondContact O-N 2.93Å; L722-Q725 PolarHBondContact O-N 2.81Å; L722-A726 VanDerWaalsContact O-CB 3.32Å; L722-A726 WeakPolarHBondContact O-CB 3.34Å; L722-A726 PolarHBondContact O-N 3.18Å; L722-Y746 HydrophobicContact CD2-CD1 3.74Å; L722-Y746 HydrophobicContact CD2-CE1 4.41Å; L722-Y746 HydrophobicContact CD2-CG 4.43Å; L722-T749 HydrophobicContact CD1-CG2 3.9Å; L722-T749 HydrophobicContact CD2-CG2 4.18Å; L722-T749 HydrophobicContact CG-CG2 4.42Å; L722-I750 HydrophobicContact CD1-CD1 3.59Å; L722-I750 HydrophobicContact CD1-CG1 4.08Å; L722-L753 HydrophobicContact CD1-CD1 4.47Å |
| 723 | R | 93.6 | Very high | 88.9 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 175 | -178 | -178.8 | 162.5 | -73.1 | -8.4 | 111.7 | I687 C690 N691 L719 N720 T721 Q725 A726 I727 | I687-R723 HydrophobicContact CG2-CG 4.31Å; C690-R723 HydrophobicContact CB-CB 3.84Å; C690-R723 HydrophobicContact CB-CG 4.25Å; N691-R723 VanDerWaalsContact OD1-CD 3.3Å; N691-R723 WeakPolarHBondContact OD1-CD 3.46Å; N691-R723 PolarHBondContact OD1-NE 2.87Å; L719-R723 VanDerWaalsContact O-CB 3.32Å; L719-R723 WeakPolarHBondContact O-CB 3.47Å; L719-R723 PolarHBondContact O-N 3.48Å; N720-R723 WeakPolarHBondContact O-CB 3.49Å; N720-R723 PolarHBondContact O-N 3.4Å; T721-R723 VanDerWaalsContact C-N 3.3Å; T721-R723 PolarHBondContact O-N 2.78Å; R723-Q725 VanDerWaalsContact C-N 3.31Å; R723-Q725 PolarHBondContact O-N 2.93Å; R723-A726 PolarHBondContact O-N 3.16Å; R723-I727 HydrophobicContact CG-CD1 4.2Å; R723-I727 VanDerWaalsContact O-CG1 3.32Å; R723-I727 WeakPolarHBondContact O-CG1 3.14Å; R723-I727 PolarHBondContact O-N 2.79Å |
| 724 | E | 90.6 | Very high | 88.4 | Confident | 111 Ų | 111 | 58.7 Ų | 58.7 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 177.2 | -66.4 | -60 | 138.7 | 0 | 0 | 111.5 | N720 T721 I727 N728 | N720-E724 WeakPolarHBondContact O-CG 3.36Å; N720-E724 PolarHBondContact O-N 3.4Å; N720-E724 VanDerWaalsContact O-N 3.1Å; T721-E724 PolarHBondContact O-N 3.17Å; E724-I727 PolarHBondContact O-N 2.93Å; E724-N728 WeakPolarHBondContact O-CB 3.44Å; E724-N728 PolarHBondContact O-N 3.28Å |
| 725 | Q | 88.1 | Confident | 88.2 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 173 | -73.1 | 174.8 | 2.9 | 0 | 0 | 112 | T721 L722 R723 N728 T729 Y746 | T721-Q725 WeakPolarHBondContact O-CG 3.3Å; T721-Q725 PolarHBondContact O-N 3Å; L722-Q725 PolarHBondContact O-N 2.81Å; R723-Q725 VanDerWaalsContact C-N 3.31Å; R723-Q725 PolarHBondContact O-N 2.93Å; Q725-N728 PolarHBondContact O-N 3.07Å; Q725-T729 WeakPolarHBondContact O-CB 3.09Å; Q725-T729 PolarHBondContact O-N 3.21Å; Q725-T729 PolarHBondContact O-OG1 2.99Å; Q725-T729 VanDerWaalsContact O-OG1 3.04Å; Q725-Y746 HydrophobicContact CB-CE1 4.2Å; Q725-Y746 PolarHBondContact O-OH 2.83Å |
| 726 | A | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L683 F686 I687 L722 R723 T729 R730 Y746 | L683-A726 HydrophobicContact CD2-CB 4.37Å; F686-A726 HydrophobicContact CD1-CB 3.72Å; F686-A726 HydrophobicContact CE1-CB 3.97Å; I687-A726 HydrophobicContact CD1-CB 4.28Å; I687-A726 HydrophobicContact CG1-CB 3.71Å; L722-A726 VanDerWaalsContact O-CB 3.32Å; L722-A726 WeakPolarHBondContact O-CB 3.34Å; L722-A726 PolarHBondContact O-N 3.18Å; R723-A726 PolarHBondContact O-N 3.16Å; A726-T729 PolarHBondContact O-N 2.9Å; A726-R730 VanDerWaalsContact O-CB 3.28Å; A726-R730 WeakPolarHBondContact O-CB 3.31Å; A726-R730 PolarHBondContact O-N 2.84Å; A726-Y746 HydrophobicContact CB-CD2 4.5Å; A726-Y746 HydrophobicContact CB-CE2 3.98Å |
| 727 | I | 93.5 | Very high | 87.5 | Confident | 42 Ų | 42 | 65 Ų | 65 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60 | -49 | 172.2 | -68.2 | 165.8 | 0 | 0 | 0 | 109.8 | I687 R723 E724 T729 R730 E731 | I687-I727 HydrophobicContact CD1-CG1 3.86Å; I687-I727 HydrophobicContact CG1-CG1 4.13Å; I687-I727 HydrophobicContact CG2-CD1 4.47Å; I687-I727 HydrophobicContact CG2-CG1 4.18Å; R723-I727 HydrophobicContact CG-CD1 4.2Å; R723-I727 VanDerWaalsContact O-CG1 3.32Å; R723-I727 WeakPolarHBondContact O-CG1 3.14Å; R723-I727 PolarHBondContact O-N 2.79Å; E724-I727 PolarHBondContact O-N 2.93Å; I727-T729 PolarHBondContact O-N 2.85Å; I727-R730 WeakPolarHBondContact O-CB 3.2Å; I727-R730 PolarHBondContact O-N 2.87Å; I727-E731 WeakPolarHBondContact O-CG 3.41Å; I727-E731 PolarHBondContact O-N 3.12Å; I727-E731 VanDerWaalsContact O-N 3.08Å |
| 728 | N | 89.2 | Confident | 87.3 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 178.2 | 178.9 | 75.1 | 0 | 0 | 0 | 112.2 | E724 Q725 R730 E731 T732 | E724-N728 WeakPolarHBondContact O-CB 3.44Å; E724-N728 PolarHBondContact O-N 3.28Å; Q725-N728 PolarHBondContact O-N 3.07Å; N728-R730 VanDerWaalsContact C-N 3.32Å; N728-R730 PolarHBondContact O-N 2.82Å; N728-E731 PolarHBondContact O-N 3.24Å; N728-E731 VanDerWaalsContact O-N 3.15Å; N728-T732 PolarHBondContact ND2-OG1 2.93Å; N728-T732 WeakPolarHBondContact O-CB 3.46Å; N728-T732 WeakPolarHBondContact O-CG2 3.31Å; N728-T732 PolarHBondContact O-N 3.48Å; N728-T732 PolarHBondContact O-OG1 2.86Å; N728-T732 WeakPolarHBondContact OD1-CG2 3.24Å |
| 729 | T | 87.3 | Confident | 87.3 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 177 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | L683 Q725 A726 I727 E731 T732 V733 E742 Y746 | L683-T729 HydrophobicContact CD1-CG2 4.29Å; L683-T729 HydrophobicContact CD2-CG2 4.25Å; Q725-T729 WeakPolarHBondContact O-CB 3.09Å; Q725-T729 PolarHBondContact O-N 3.21Å; Q725-T729 PolarHBondContact O-OG1 2.99Å; Q725-T729 VanDerWaalsContact O-OG1 3.04Å; A726-T729 PolarHBondContact O-N 2.9Å; I727-T729 PolarHBondContact O-N 2.85Å; T729-E731 VanDerWaalsContact C-N 3.28Å; T729-E731 PolarHBondContact O-N 3.05Å; T729-T732 PolarHBondContact O-N 3.28Å; T729-V733 HydrophobicContact CG2-CB 4.32Å; T729-V733 HydrophobicContact CG2-CG2 3.86Å; T729-V733 VanDerWaalsContact O-CB 3.29Å; T729-V733 WeakPolarHBondContact O-CB 3.5Å; T729-V733 PolarHBondContact O-N 3.5Å; T729-E742 HydrophobicContact CG2-CB 3.93Å; T729-E742 HydrophobicContact CG2-CG 4.09Å; T729-Y746 WeakPolarHBondContact CB-OH 3.25Å; T729-Y746 PolarHBondContact OG1-OH 3.28Å |
| 730 | R | 88.9 | Confident | 87.1 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -34.7 | 175.6 | -171.6 | -172.4 | -176.1 | -80.6 | 4.5 | 113.1 | L683 D684 A726 I727 N728 | L683-R730 HydrophobicContact CD1-CB 4.02Å; L683-R730 HydrophobicContact CD1-CG 4.37Å; D684-R730 WeakPolarHBondContact OD1-CD 3.38Å; D684-R730 IonicContact OD1-CZ 3.64Å; D684-R730 VanDerWaalsContact OD1-CZ 3.31Å; D684-R730 IonicContact OD1-NE 2.78Å; D684-R730 PolarHBondContact OD1-NE 3.14Å; D684-R730 IonicContact OD1-NH2 3.29Å; D684-R730 PolarHBondContact OD1-NH2 3.36Å; D684-R730 IonicContact OD2-CZ 3.45Å; D684-R730 IonicContact OD2-NE 2.85Å; D684-R730 IonicContact OD2-NH2 3.41Å; D684-R730 PolarHBondContact OD2-NH2 3.48Å; A726-R730 VanDerWaalsContact O-CB 3.28Å; A726-R730 WeakPolarHBondContact O-CB 3.31Å; A726-R730 PolarHBondContact O-N 2.84Å; I727-R730 WeakPolarHBondContact O-CB 3.2Å; I727-R730 PolarHBondContact O-N 2.87Å; N728-R730 VanDerWaalsContact C-N 3.32Å; N728-R730 PolarHBondContact O-N 2.82Å |
| 731 | E | 88.6 | Confident | 86.8 | Confident | 147 Ų | 147 | 66.9 Ų | 66.9 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -86.5 | -28.9 | -178.9 | -70.2 | -176.9 | 174.2 | 0 | 0 | 114 | I727 N728 T729 | I727-E731 WeakPolarHBondContact O-CG 3.41Å; I727-E731 PolarHBondContact O-N 3.12Å; I727-E731 VanDerWaalsContact O-N 3.08Å; N728-E731 PolarHBondContact O-N 3.24Å; N728-E731 VanDerWaalsContact O-N 3.15Å; T729-E731 VanDerWaalsContact C-N 3.28Å; T729-E731 PolarHBondContact O-N 3.05Å |
| 732 | T | 82.1 | Confident | 86.8 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -111.1 | -28.9 | -168 | 60.7 | 0 | 0 | 0 | 0 | 115.1 | N728 T729 | N728-T732 PolarHBondContact ND2-OG1 2.93Å; N728-T732 WeakPolarHBondContact O-CB 3.46Å; N728-T732 WeakPolarHBondContact O-CG2 3.31Å; N728-T732 PolarHBondContact O-N 3.48Å; N728-T732 PolarHBondContact O-OG1 2.86Å; N728-T732 WeakPolarHBondContact OD1-CG2 3.24Å; T729-T732 PolarHBondContact O-N 3.28Å |
| 733 | V | 80.6 | Confident | 86.8 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | trans | -80.4 | 125.4 | -175.6 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | T729 E735 D738 A739 | T729-V733 HydrophobicContact CG2-CB 4.32Å; T729-V733 HydrophobicContact CG2-CG2 3.86Å; T729-V733 VanDerWaalsContact O-CB 3.29Å; T729-V733 WeakPolarHBondContact O-CB 3.5Å; T729-V733 PolarHBondContact O-N 3.5Å; V733-E735 WeakPolarHBondContact CG1-O 3.45Å; V733-D738 HydrophobicContact CG1-CB 3.61Å; V733-A739 HydrophobicContact CG1-CB 4.07Å | ||
| 734 | S | 78.6 | Confident | 86.7 | Confident | 117 Ų | 117 | 69.2 Ų | 69.2 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | trans | -106.4 | -21.3 | -177 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 735 | E | 83.7 | Confident | 86.4 | Confident | 123 Ų | 123 | 64.9 Ų | 64.9 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -101.3 | 140.6 | 178.9 | -62.6 | -167.3 | 178.1 | 0 | 0 | 111.6 | V733 D738 A739 | V733-E735 WeakPolarHBondContact CG1-O 3.45Å; E735-D738 PolarHBondContact O-N 2.8Å; E735-A739 PolarHBondContact O-N 3.02Å |
| 736 | I | 85.2 | Confident | 86.6 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.7 | -35.7 | -175.4 | -68.2 | 164.2 | 0 | 0 | 0 | 111.6 | L662 I666 I672 Q675 D738 A739 L740 | L662-I736 HydrophobicContact CD1-CG2 4.18Å; L662-I736 HydrophobicContact CD2-CG2 4.49Å; I666-I736 HydrophobicContact CD1-CG2 3.9Å; I666-I736 HydrophobicContact CG1-CG2 4.33Å; I672-I736 HydrophobicContact CG2-CD1 3.89Å; Q675-I736 HydrophobicContact CB-CD1 3.61Å; I736-D738 VanDerWaalsContact C-N 3.32Å; I736-D738 PolarHBondContact O-N 3.09Å; I736-A739 PolarHBondContact O-N 3.31Å; I736-L740 WeakPolarHBondContact O-CB 3.38Å; I736-L740 PolarHBondContact O-N 3.4Å |
| 737 | D | 83.5 | Confident | 86.7 | Confident | 111 Ų | 111 | 65.4 Ų | 65.4 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.7 | -37.3 | 179.3 | -74 | -41.4 | 0 | 0 | 0 | 111.9 | L740 K741 | D737-L740 PolarHBondContact O-N 2.89Å; D737-K741 WeakPolarHBondContact O-CB 3.06Å; D737-K741 PolarHBondContact O-N 2.81Å |
| 738 | D | 83.1 | Confident | 86.3 | Confident | 78 Ų | 78 | 67.4 Ų | 67.4 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 173.2 | -76.2 | -22.7 | 0 | 0 | 0 | 111.1 | V733 E735 I736 L740 K741 E742 | V733-D738 HydrophobicContact CG1-CB 3.61Å; E735-D738 PolarHBondContact O-N 2.8Å; I736-D738 VanDerWaalsContact C-N 3.32Å; I736-D738 PolarHBondContact O-N 3.09Å; D738-L740 VanDerWaalsContact C-N 3.33Å; D738-L740 PolarHBondContact O-N 2.88Å; D738-K741 WeakPolarHBondContact O-CB 3.1Å; D738-K741 PolarHBondContact O-N 3.4Å; D738-E742 WeakPolarHBondContact O-CG 3.18Å; D738-E742 PolarHBondContact O-N 2.87Å |
| 739 | A | 86.2 | Confident | 86.2 | Confident | 9 Ų | 9 | 64 Ų | 64 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V733 E735 I736 K741 E742 L743 | V733-A739 HydrophobicContact CG1-CB 4.07Å; E735-A739 PolarHBondContact O-N 3.02Å; I736-A739 PolarHBondContact O-N 3.31Å; A739-K741 VanDerWaalsContact C-N 3.34Å; A739-K741 PolarHBondContact O-N 2.99Å; A739-E742 PolarHBondContact O-N 2.93Å; A739-L743 WeakPolarHBondContact O-CG 3.41Å; A739-L743 PolarHBondContact O-N 2.9Å |
| 740 | L | 87 | Confident | 86.4 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 176 | -178.8 | 66 | 0 | 0 | 0 | 112 | I659 L662 M663 I666 I736 D737 D738 K744 | I659-L740 HydrophobicContact CG2-CD1 3.99Å; L662-L740 HydrophobicContact CD2-CB 4.34Å; L662-L740 HydrophobicContact CD2-CD1 4.02Å; L662-L740 HydrophobicContact CG-CD1 4.49Å; M663-L740 HydrophobicContact CG-CD1 4.17Å; M663-L740 HydrophobicContact CG-CD2 4.28Å; I666-L740 HydrophobicContact CD1-CD2 4.09Å; I736-L740 WeakPolarHBondContact O-CB 3.38Å; I736-L740 PolarHBondContact O-N 3.4Å; D737-L740 PolarHBondContact O-N 2.89Å; D738-L740 VanDerWaalsContact C-N 3.33Å; D738-L740 PolarHBondContact O-N 2.88Å; L740-K744 HydrophobicContact CG-CD 4.41Å; L740-K744 VanDerWaalsContact O-CG 3.31Å; L740-K744 WeakPolarHBondContact O-CG 3.41Å; L740-K744 PolarHBondContact O-N 2.95Å; L740-K744 VanDerWaalsContact O-N 3.14Å |
| 741 | K | 84.3 | Confident | 86.6 | Confident | 120 Ų | 120 | 61 Ų | 61 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 176 | -174.8 | -176.5 | 174.9 | -170.4 | 0 | 111.5 | D737 D738 A739 S745 | D737-K741 WeakPolarHBondContact O-CB 3.06Å; D737-K741 PolarHBondContact O-N 2.81Å; D738-K741 WeakPolarHBondContact O-CB 3.1Å; D738-K741 PolarHBondContact O-N 3.4Å; A739-K741 VanDerWaalsContact C-N 3.34Å; A739-K741 PolarHBondContact O-N 2.99Å; K741-S745 WeakPolarHBondContact O-CB 3.29Å; K741-S745 PolarHBondContact O-N 2.81Å; K741-S745 VanDerWaalsContact O-N 3.11Å |
| 742 | E | 87.5 | Confident | 86.5 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 175.9 | -69.9 | -56.5 | 131.2 | 0 | 0 | 112.2 | T729 D738 A739 K744 S745 Y746 | T729-E742 HydrophobicContact CG2-CB 3.93Å; T729-E742 HydrophobicContact CG2-CG 4.09Å; D738-E742 WeakPolarHBondContact O-CG 3.18Å; D738-E742 PolarHBondContact O-N 2.87Å; A739-E742 PolarHBondContact O-N 2.93Å; E742-K744 VanDerWaalsContact C-N 3.33Å; E742-K744 PolarHBondContact O-N 3.02Å; E742-S745 WeakPolarHBondContact O-CA 3.41Å; E742-S745 VanDerWaalsContact O-CB 3.26Å; E742-S745 WeakPolarHBondContact O-CB 3.41Å; E742-S745 PolarHBondContact O-N 2.88Å; E742-Y746 HydrophobicContact CB-CE2 4.24Å; E742-Y746 VanDerWaalsContact O-CG 3.31Å; E742-Y746 PolarHBondContact O-N 3.36Å; E742-Y746 PolarHBondContact OE2-OH 2.82Å |
| 743 | L | 90.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 176.4 | -74.3 | 170.3 | 0 | 0 | 0 | 112.4 | L655 I659 L662 L683 A739 S745 Y746 R747 | L655-L743 HydrophobicContact CD2-CD2 3.78Å; I659-L743 HydrophobicContact CD1-CB 4.11Å; I659-L743 HydrophobicContact CG1-CB 3.88Å; L662-L743 HydrophobicContact CD2-CD1 4.38Å; L683-L743 HydrophobicContact CD2-CD2 3.71Å; L683-L743 HydrophobicContact CD2-CG 4.4Å; L683-L743 HydrophobicContact CG-CD2 4.05Å; A739-L743 WeakPolarHBondContact O-CG 3.41Å; A739-L743 PolarHBondContact O-N 2.9Å; L743-S745 VanDerWaalsContact C-N 3.29Å; L743-S745 PolarHBondContact O-N 2.85Å; L743-Y746 PolarHBondContact O-N 2.88Å; L743-R747 PolarHBondContact O-N 3.49Å; L743-R747 VanDerWaalsContact O-N 3.08Å |
| 744 | K | 90.4 | Very high | 87.5 | Confident | 95 Ų | 95 | 52.9 Ų | 52.9 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 175 | -75.1 | 172.7 | 179.1 | 173.6 | 0 | 112.1 | I659 L740 E742 E748 | I659-K744 HydrophobicContact CD1-CG 4.05Å; I659-K744 HydrophobicContact CG2-CG 4.35Å; L740-K744 HydrophobicContact CG-CD 4.41Å; L740-K744 VanDerWaalsContact O-CG 3.31Å; L740-K744 WeakPolarHBondContact O-CG 3.41Å; L740-K744 PolarHBondContact O-N 2.95Å; L740-K744 VanDerWaalsContact O-N 3.14Å; E742-K744 VanDerWaalsContact C-N 3.33Å; E742-K744 PolarHBondContact O-N 3.02Å; K744-E748 PolarHBondContact O-N 2.8Å; K744-E748 VanDerWaalsContact O-N 3.14Å |
| 745 | S | 83.6 | Confident | 88.1 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 176.1 | 167 | 0 | 0 | 0 | 0 | 112.1 | C240 K741 E742 L743 R747 E748 T749 | C240-S745 PolarHBondContact SG-OG 2.87Å; K741-S745 WeakPolarHBondContact O-CB 3.29Å; K741-S745 PolarHBondContact O-N 2.81Å; K741-S745 VanDerWaalsContact O-N 3.11Å; E742-S745 WeakPolarHBondContact O-CA 3.41Å; E742-S745 VanDerWaalsContact O-CB 3.26Å; E742-S745 WeakPolarHBondContact O-CB 3.41Å; E742-S745 PolarHBondContact O-N 2.88Å; L743-S745 VanDerWaalsContact C-N 3.29Å; L743-S745 PolarHBondContact O-N 2.85Å; S745-R747 PolarHBondContact O-N 3.46Å; S745-E748 PolarHBondContact O-N 3.38Å; S745-T749 PolarHBondContact O-N 2.66Å; S745-T749 PolarHBondContact O-OG1 3.42Å |
| 746 | Y | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 176.8 | -58.6 | -22.3 | 0 | 0 | 0 | 111.7 | L683 F686 L722 Q725 A726 T729 E742 L743 E748 T749 I750 | L683-Y746 HydrophobicContact CD2-CE2 4.09Å; F686-Y746 AromaticContact CD1-CD2 3.89Å; F686-Y746 HydrophobicContact CD1-CD2 3.89Å; F686-Y746 HydrophobicContact CD1-CG 4.45Å; F686-Y746 AromaticContact CE1-CD2 3.62Å; F686-Y746 HydrophobicContact CE1-CD2 3.62Å; F686-Y746 HydrophobicContact CE1-CE2 4.42Å; F686-Y746 AromaticContact CE1-CG 3.76Å; F686-Y746 HydrophobicContact CE1-CG 3.76Å; F686-Y746 HydrophobicContact CZ-CD2 4.46Å; F686-Y746 HydrophobicContact CZ-CG 4.22Å; L722-Y746 HydrophobicContact CD2-CD1 3.74Å; L722-Y746 HydrophobicContact CD2-CE1 4.41Å; L722-Y746 HydrophobicContact CD2-CG 4.43Å; Q725-Y746 HydrophobicContact CB-CE1 4.2Å; Q725-Y746 PolarHBondContact O-OH 2.83Å; A726-Y746 HydrophobicContact CB-CD2 4.5Å; A726-Y746 HydrophobicContact CB-CE2 3.98Å; T729-Y746 WeakPolarHBondContact CB-OH 3.25Å; T729-Y746 PolarHBondContact OG1-OH 3.28Å; E742-Y746 HydrophobicContact CB-CE2 4.24Å; E742-Y746 VanDerWaalsContact O-CG 3.31Å; E742-Y746 PolarHBondContact O-N 3.36Å; E742-Y746 PolarHBondContact OE2-OH 2.82Å; L743-Y746 PolarHBondContact O-N 2.88Å; Y746-E748 PolarHBondContact O-N 3.49Å; Y746-T749 PolarHBondContact O-N 2.78Å; Y746-I750 WeakPolarHBondContact O-CG1 3.45Å; Y746-I750 PolarHBondContact O-N 2.74Å |
| 747 | R | 93.8 | Very high | 88.9 | Confident | 68 Ų | 68 | 45.4 Ų | 45.4 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56 | -49.1 | 176.1 | 178.2 | -167.6 | 167.1 | -86 | 8.6 | 112 | L655 E656 I659 L743 S745 T749 I750 L751 | L655-R747 HydrophobicContact CB-CB 4.27Å; L655-R747 HydrophobicContact CD1-CB 4.05Å; E656-R747 WeakPolarHBondContact OE2-CD 3.49Å; E656-R747 IonicContact OE2-CZ 3.16Å; E656-R747 VanDerWaalsContact OE2-CZ 3.3Å; E656-R747 IonicContact OE2-NE 3.51Å; E656-R747 PolarHBondContact OE2-NE 2.79Å; E656-R747 IonicContact OE2-NH2 3.38Å; E656-R747 PolarHBondContact OE2-NH2 2.79Å; I659-R747 HydrophobicContact CD1-CB 4.38Å; L743-R747 PolarHBondContact O-N 3.49Å; L743-R747 VanDerWaalsContact O-N 3.08Å; S745-R747 PolarHBondContact O-N 3.46Å; R747-T749 VanDerWaalsContact C-N 3.27Å; R747-T749 PolarHBondContact O-N 3.04Å; R747-I750 PolarHBondContact O-N 2.8Å; R747-L751 HydrophobicContact CG-CD1 4.3Å; R747-L751 WeakPolarHBondContact O-CG 3.16Å; R747-L751 PolarHBondContact O-N 2.88Å |
| 748 | E | 86 | Confident | 89.5 | Confident | 84 Ų | 84 | 40.1 Ų | 40.1 | 39% | 0.393 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -37.7 | -179.5 | -165.7 | 65.7 | -170.9 | 0 | 0 | 111.7 | K744 S745 Y746 L751 N752 | K744-E748 PolarHBondContact O-N 2.8Å; K744-E748 VanDerWaalsContact O-N 3.14Å; S745-E748 PolarHBondContact O-N 3.38Å; Y746-E748 PolarHBondContact O-N 3.49Å; E748-L751 PolarHBondContact O-N 3.02Å; E748-N752 PolarHBondContact O-N 2.92Å; E748-N752 VanDerWaalsContact O-N 3.12Å; E748-N752 PolarHBondContact O-ND2 2.88Å; E748-N752 VanDerWaalsContact O-ND2 3.08Å |
| 749 | T | 86.3 | Confident | 89.8 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | N219 L722 S745 Y746 R747 L751 N752 L753 | N219-T749 PolarHBondContact OD1-OG1 3.09Å; L722-T749 HydrophobicContact CD1-CG2 3.9Å; L722-T749 HydrophobicContact CD2-CG2 4.18Å; L722-T749 HydrophobicContact CG-CG2 4.42Å; S745-T749 PolarHBondContact O-N 2.66Å; S745-T749 PolarHBondContact O-OG1 3.42Å; Y746-T749 PolarHBondContact O-N 2.78Å; R747-T749 VanDerWaalsContact C-N 3.27Å; R747-T749 PolarHBondContact O-N 3.04Å; T749-L751 PolarHBondContact O-N 2.78Å; T749-N752 PolarHBondContact O-N 3.21Å; T749-L753 WeakPolarHBondContact O-CG 3.49Å; T749-L753 PolarHBondContact O-N 3.2Å; T749-L753 VanDerWaalsContact O-N 3.08Å |
| 750 | I | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.3 | -65 | -68.5 | 0 | 0 | 0 | 111.6 | L648 I651 A652 F686 L719 L722 Y746 R747 N752 L753 A754 | L648-I750 HydrophobicContact CB-CG2 4.17Å; L648-I750 HydrophobicContact CD2-CD1 4.38Å; L648-I750 HydrophobicContact CD2-CG2 4.39Å; L648-I750 WeakPolarHBondContact O-CG2 3.5Å; I651-I750 HydrophobicContact CB-CG2 4.28Å; I651-I750 HydrophobicContact CG2-CD1 4.36Å; I651-I750 HydrophobicContact CG2-CG1 4.33Å; I651-I750 HydrophobicContact CG2-CG2 4.42Å; A652-I750 HydrophobicContact CB-CB 4.45Å; A652-I750 HydrophobicContact CB-CG2 3.89Å; F686-I750 HydrophobicContact CE2-CD1 4.18Å; F686-I750 HydrophobicContact CE2-CG1 3.97Å; F686-I750 HydrophobicContact CZ-CD1 4.4Å; F686-I750 HydrophobicContact CZ-CG1 4.29Å; L719-I750 HydrophobicContact CD2-CD1 3.61Å; L722-I750 HydrophobicContact CD1-CD1 3.59Å; L722-I750 HydrophobicContact CD1-CG1 4.08Å; Y746-I750 WeakPolarHBondContact O-CG1 3.45Å; Y746-I750 PolarHBondContact O-N 2.74Å; R747-I750 PolarHBondContact O-N 2.8Å; I750-N752 VanDerWaalsContact C-N 3.29Å; I750-N752 PolarHBondContact O-N 2.78Å; I750-L753 HydrophobicContact CD1-CD1 4.46Å; I750-L753 PolarHBondContact O-N 3.21Å; I750-L753 VanDerWaalsContact O-N 3.13Å; I750-A754 PolarHBondContact O-N 3.04Å |
| 751 | L | 93.2 | Very high | 90.6 | Very high | 54 Ų | 54 | 38.3 Ų | 38.3 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 176 | -72.5 | 175.1 | 0 | 0 | 0 | 112.1 | L649 A652 R747 E748 T749 A754 | L649-L751 HydrophobicContact CD2-CD2 4.08Å; A652-L751 HydrophobicContact CB-CD2 3.74Å; A652-L751 HydrophobicContact CB-CG 4.04Å; R747-L751 HydrophobicContact CG-CD1 4.3Å; R747-L751 WeakPolarHBondContact O-CG 3.16Å; R747-L751 PolarHBondContact O-N 2.88Å; E748-L751 PolarHBondContact O-N 3.02Å; T749-L751 PolarHBondContact O-N 2.78Å; L751-A754 PolarHBondContact O-N 2.75Å |
| 752 | N | 85.7 | Confident | 91.1 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 44% | 0.439 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.8 | -35.7 | 174.9 | -71.9 | -39.3 | 0 | 0 | 0 | 112.5 | E748 T749 I750 A754 I755 | E748-N752 PolarHBondContact O-N 2.92Å; E748-N752 VanDerWaalsContact O-N 3.12Å; E748-N752 PolarHBondContact O-ND2 2.88Å; E748-N752 VanDerWaalsContact O-ND2 3.08Å; T749-N752 PolarHBondContact O-N 3.21Å; I750-N752 VanDerWaalsContact C-N 3.29Å; I750-N752 PolarHBondContact O-N 2.78Å; N752-A754 VanDerWaalsContact C-N 3.32Å; N752-I755 PolarHBondContact O-N 2.85Å |
| 753 | L | 89.6 | Confident | 91.5 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.6 | -25.3 | 176.1 | -68.2 | 171.8 | 0 | 0 | 0 | 113.5 | L648 R715 Q718 L722 T749 I750 I755 | L648-L753 HydrophobicContact CD1-CB 4Å; L648-L753 WeakPolarHBondContact CD1-O 3.29Å; L648-L753 HydrophobicContact CD2-CB 4.5Å; R715-L753 PolarHBondContact NE-O 2.68Å; R715-L753 VanDerWaalsContact NE-O 3.1Å; Q718-L753 HydrophobicContact CB-CD1 3.69Å; Q718-L753 HydrophobicContact CB-CD2 4.05Å; Q718-L753 HydrophobicContact CG-CD2 4.08Å; L722-L753 HydrophobicContact CD1-CD1 4.47Å; T749-L753 WeakPolarHBondContact O-CG 3.49Å; T749-L753 PolarHBondContact O-N 3.2Å; T749-L753 VanDerWaalsContact O-N 3.08Å; I750-L753 HydrophobicContact CD1-CD1 4.46Å; I750-L753 PolarHBondContact O-N 3.21Å; I750-L753 VanDerWaalsContact O-N 3.13Å; L753-I755 PolarHBondContact O-N 3.39Å |
| 754 | A | 93.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -8.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V645 L648 L649 I750 L751 N752 E756 | V645-A754 WeakPolarHBondContact CG1-O 3.44Å; V645-A754 WeakPolarHBondContact CG2-O 3.44Å; L648-A754 HydrophobicContact CB-CB 3.87Å; L649-A754 HydrophobicContact CD2-CB 3.76Å; L649-A754 HydrophobicContact CG-CB 3.99Å; I750-A754 PolarHBondContact O-N 3.04Å; L751-A754 PolarHBondContact O-N 2.75Å; N752-A754 VanDerWaalsContact C-N 3.32Å; A754-E756 PolarHBondContact O-N 2.96Å |
| 755 | I | 91.7 | Very high | 92.1 | Very high | 71 Ų | 71 | 26 Ų | 26 | 36% | 0.364 | 13% | 0.133 | S | C | . | . | trans | -68.9 | 126.1 | 175.8 | -60.1 | 174.9 | 0 | 0 | 0 | 109.3 | Q468 R715 N752 L753 | Q468-I755 HydrophobicContact CG-CG2 4.03Å; R715-I755 PolarHBondContact NH2-O 2.51Å; N752-I755 PolarHBondContact O-N 2.85Å; L753-I755 PolarHBondContact O-N 3.39Å | ||
| 756 | E | 94.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 25 Ų | 25 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | trans | -120.2 | 106.9 | 177.7 | 179.7 | 54.1 | -115.2 | 0 | 0 | 110.2 | R641 V645 R715 A754 Q758 M759 | R641-E756 HydrophobicContact CB-CG 4.33Å; V645-E756 HydrophobicContact CG2-CB 3.49Å; V645-E756 VanDerWaalsContact CG2-CB 3.49Å; V645-E756 HydrophobicContact CG2-CG 4.21Å; R715-E756 IonicContact CZ-OE2 3.25Å; R715-E756 IonicContact NH1-OE2 3.17Å; R715-E756 PolarHBondContact NH1-OE2 3.09Å; R715-E756 VanDerWaalsContact NH1-OE2 3.09Å; R715-E756 IonicContact NH2-OE2 3.43Å; R715-E756 PolarHBondContact NH2-OE2 2.85Å; A754-E756 PolarHBondContact O-N 2.96Å; E756-Q758 VanDerWaalsContact C-N 3.28Å; E756-Q758 PolarHBondContact O-N 2.93Å; E756-Q758 WeakPolarHBondContact OE1-CB 3.45Å; E756-Q758 PolarHBondContact OE1-N 2.98Å; E756-M759 HydrophobicContact CB-CG 4Å; E756-M759 HydrophobicContact CG-CG 3.89Å; E756-M759 WeakPolarHBondContact O-CG 3.29Å | ||
| 757 | P | 92 | Very high | 92.9 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 18% | 0.175 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.4 | -179.7 | 28 | -34 | 0 | 0 | 0 | 112.8 | Q468 I469 M707 L711 M759 | Q468-P757 HydrophobicContact CB-CB 4.32Å; I469-P757 HydrophobicContact CG2-CB 3.81Å; I469-P757 HydrophobicContact CG2-CG 3.96Å; M707-P757 HydrophobicContact CE-CG 3.68Å; L711-P757 HydrophobicContact CD1-CG 4.37Å; P757-M759 PolarHBondContact O-N 3.39Å |
| 758 | Q | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 40.4 | -175 | -50.4 | -170.4 | 102.2 | 0 | 0 | 113.3 | F486 R641 N705 M707 D708 E756 S760 | F486-Q758 HydrophobicContact CD2-CG 3.91Å; F486-Q758 HydrophobicContact CE2-CB 4.32Å; F486-Q758 HydrophobicContact CE2-CG 3.72Å; F486-Q758 HydrophobicContact CZ-CG 4.45Å; R641-Q758 VanDerWaalsContact NH1-CB 3.3Å; R641-Q758 PolarHBondContact NH1-O 3.32Å; R641-Q758 VanDerWaalsContact NH1-O 3.15Å; N705-Q758 PolarHBondContact ND2-OE1 3.2Å; N705-Q758 PolarHBondContact OD1-NE2 3.04Å; N705-Q758 PolarHBondContact OD1-OE1 3.5Å; M707-Q758 HydrophobicContact CG-CG 4.26Å; D708-Q758 PolarHBondContact OD1-NE2 3.43Å; E756-Q758 VanDerWaalsContact C-N 3.28Å; E756-Q758 PolarHBondContact O-N 2.93Å; E756-Q758 WeakPolarHBondContact OE1-CB 3.45Å; E756-Q758 PolarHBondContact OE1-N 2.98Å; Q758-S760 PolarHBondContact O-N 3.05Å; Q758-S760 VanDerWaalsContact O-N 3.09Å |
| 759 | M | 90.5 | Very high | 93.1 | Very high | 56 Ų | 56 | 18.9 Ų | 18.9 | 28% | 0.276 | 10% | 0.101 | S | C | . | . | trans | -77.5 | 87.6 | 174.3 | -71.3 | -137.6 | -68.6 | 0 | 0 | 111.4 | N492 L642 E756 P757 H783 | N492-M759 PolarHBondContact ND2-O 2.91Å; L642-M759 HydrophobicContact CD2-CG 4.13Å; L642-M759 HydrophobicContact CD2-SD 3.8Å; E756-M759 HydrophobicContact CB-CG 4Å; E756-M759 HydrophobicContact CG-CG 3.89Å; E756-M759 WeakPolarHBondContact O-CG 3.29Å; P757-M759 PolarHBondContact O-N 3.39Å; M759-H783 PolarHBondContact SD-ND1 2.78Å; M759-H783 VanDerWaalsContact SD-ND1 3.4Å | ||
| 760 | S | 93.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | trans | -81.1 | -20.2 | -176.3 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | N492 R523 E636 Q758 | N492-S760 PolarHBondContact ND2-O 3.07Å; N492-S760 VanDerWaalsContact ND2-O 3.12Å; N492-S760 PolarHBondContact OD1-O 2.93Å; R523-S760 PolarHBondContact NH1-O 2.69Å; E636-S760 WeakPolarHBondContact CG-OG 3.48Å; E636-S760 VanDerWaalsContact OE1-C 3.25Å; E636-S760 WeakPolarHBondContact OE1-CB 3.34Å; E636-S760 PolarHBondContact OE1-OG 2.99Å; Q758-S760 PolarHBondContact O-N 3.05Å; Q758-S760 VanDerWaalsContact O-N 3.09Å | ||
| 761 | I | 95.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -78.2 | 127.2 | 173.5 | -59.3 | 179.7 | 0 | 0 | 0 | 109.3 | N492 I587 W635 I638 L642 A782 F832 | N492-I761 VanDerWaalsContact ND2-C 3.31Å; N492-I761 PolarHBondContact ND2-O 3.04Å; I587-I761 HydrophobicContact CD1-CG2 3.95Å; W635-I761 HydrophobicContact CB-CD1 4.35Å; W635-I761 HydrophobicContact CB-CG1 4.09Å; W635-I761 HydrophobicContact CG-CG1 4.39Å; W635-I761 HydrophobicContact CG-CG2 4.4Å; I638-I761 HydrophobicContact CD1-CD1 4.2Å; I638-I761 HydrophobicContact CD1-CG1 3.99Å; I638-I761 HydrophobicContact CG1-CD1 3.85Å; I638-I761 HydrophobicContact CG1-CG1 4.03Å; L642-I761 HydrophobicContact CD1-CD1 4.09Å; I761-A782 HydrophobicContact CB-CB 4.32Å; I761-A782 HydrophobicContact CG2-CB 3.72Å; I761-F832 HydrophobicContact CD1-CE1 4.23Å; I761-F832 HydrophobicContact CG2-CE1 3.95Å; I761-F832 HydrophobicContact CG2-CZ 3.98Å |
| 762 | P | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 161.5 | 178.4 | -20.1 | 31 | 0 | 0 | 0 | 113.5 | Y520 I587 W635 | Y520-P762 HydrophobicContact CD2-CB 4.01Å; Y520-P762 HydrophobicContact CD2-CG 4.2Å; Y520-P762 HydrophobicContact CE2-CB 4.04Å; Y520-P762 HydrophobicContact CE2-CG 3.71Å; I587-P762 HydrophobicContact CG1-CB 4.33Å; W635-P762 HydrophobicContact CH2-CG 3.54Å; W635-P762 HydrophobicContact CZ2-CG 4.02Å; W635-P762 HydrophobicContact CZ3-CG 3.81Å |
| 763 | D | 96.3 | Very high | 91.2 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 149 | 170.2 | -67.7 | 5.7 | 0 | 0 | 0 | 110.5 | Y494 R779 I780 | Y494-D763 HydrophobicContact CE1-CB 4.43Å; Y494-D763 WeakPolarHBondContact OH-CB 3.41Å; Y494-D763 PolarHBondContact OH-N 2.83Å; Y494-D763 PolarHBondContact OH-OD1 2.61Å; D763-R779 HydrophobicContact CB-CB 4.49Å; D763-R779 IonicContact OD2-CZ 3.76Å; D763-R779 IonicContact OD2-NE 2.71Å; D763-R779 PolarHBondContact OD2-NE 3.12Å; D763-R779 IonicContact OD2-NH2 3.17Å; D763-R779 PolarHBondContact OD2-NH2 2.91Å; D763-I780 WeakPolarHBondContact CA-O 3.46Å |
| 764 | I | 97.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.2 | 167.9 | -61.5 | 154.5 | 0 | 0 | 0 | 107.6 | L563 I585 S586 I587 R779 I780 V785 V830 F832 | L563-I764 HydrophobicContact CD1-CD1 3.68Å; L563-I764 HydrophobicContact CD1-CG1 4.24Å; L563-I764 HydrophobicContact CD2-CB 4.49Å; L563-I764 HydrophobicContact CD2-CD1 4.31Å; L563-I764 HydrophobicContact CD2-CG1 3.93Å; L563-I764 HydrophobicContact CD2-CG2 3.8Å; I585-I764 HydrophobicContact CG2-CG2 4.16Å; S586-I764 CarbonylContact O-C 3.42Å; S586-I764 WeakPolarHBondContact O-CA 3.26Å; I587-I764 HydrophobicContact CB-CG1 4.33Å; I587-I764 HydrophobicContact CD1-CG1 3.99Å; I587-I764 HydrophobicContact CG1-CG1 4.33Å; I764-R779 CarbonylContact O-C 3.52Å; I764-R779 WeakPolarHBondContact O-CA 3.32Å; I764-I780 HydrophobicContact CB-CB 4.25Å; I764-I780 PolarHBondContact N-O 3Å; I764-I780 PolarHBondContact O-N 3.12Å; I764-V785 HydrophobicContact CD1-CG2 3.41Å; I764-V785 VanDerWaalsContact CD1-CG2 3.41Å; I764-V830 HydrophobicContact CD1-CG1 4.36Å; I764-F832 HydrophobicContact CD1-CB 4.34Å |
| 765 | I | 96.2 | Very high | 90.8 | 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 | -113 | 126.7 | -179.5 | -46.2 | -176.7 | 0 | 0 | 0 | 108.8 | I585 S586 W767 Y777 H778 R779 | I585-I765 WeakPolarHBondContact CA-O 3.03Å; S586-I765 PolarHBondContact N-O 3.03Å; S586-I765 PolarHBondContact O-N 2.83Å; I765-W767 HydrophobicContact CG2-CD2 4.48Å; I765-W767 HydrophobicContact CG2-CG 4.37Å; I765-W767 HydrophobicContact CG2-CZ2 4.44Å; I765-Y777 HydrophobicContact CG2-CD2 4.45Å; I765-H778 WeakPolarHBondContact CA-O 3.25Å; I765-R779 HydrophobicContact CG1-CG 4.28Å |
| 766 | I | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114.9 | 169.9 | -47.6 | -166 | 0 | 0 | 0 | 107.7 | F567 E584 I585 Y777 H778 I780 I804 L826 | F567-I766 HydrophobicContact CE1-CG2 4.48Å; E584-I766 CarbonylContact O-C 3.54Å; E584-I766 WeakPolarHBondContact O-CA 3.5Å; I585-I766 HydrophobicContact CD1-CB 4Å; I585-I766 HydrophobicContact CD1-CD1 3.88Å; I585-I766 HydrophobicContact CD1-CG1 3.51Å; I585-I766 HydrophobicContact CD1-CG2 3.86Å; I766-Y777 CarbonylContact O-C 3.56Å; I766-Y777 WeakPolarHBondContact O-CA 3.06Å; I766-H778 PolarHBondContact N-O 2.83Å; I766-H778 PolarHBondContact O-N 3.1Å; I766-I780 HydrophobicContact CD1-CD1 3.85Å; I766-I780 HydrophobicContact CG1-CD1 4.25Å; I766-I804 HydrophobicContact CD1-CD1 4.25Å; I766-L826 HydrophobicContact CG2-CD1 3.8Å |
| 767 | W | 95.2 | Very high | 90.8 | 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 | -100.6 | 138.7 | 173.8 | -77 | 103.8 | 0 | 0 | 0 | 111.1 | P497 V518 A519 F583 E584 I765 L769 R774 Y777 | P497-W767 HydrophobicContact CB-CH2 4.11Å; P497-W767 HydrophobicContact CG-CH2 4.25Å; V518-W767 HydrophobicContact CB-CH2 4.35Å; V518-W767 HydrophobicContact CG2-CH2 3.92Å; V518-W767 HydrophobicContact CG2-CZ2 4.39Å; A519-W767 HydrophobicContact CB-CZ2 4.04Å; F583-W767 CarbonylContact C-O 3.38Å; F583-W767 WeakPolarHBondContact CA-O 2.81Å; E584-W767 HydrophobicContact CB-CB 4.2Å; E584-W767 PolarHBondContact N-O 3.07Å; E584-W767 PolarHBondContact O-N 2.83Å; I765-W767 HydrophobicContact CG2-CD2 4.48Å; I765-W767 HydrophobicContact CG2-CG 4.37Å; I765-W767 HydrophobicContact CG2-CZ2 4.44Å; W767-L769 HydrophobicContact CB-CD1 3.81Å; W767-R774 HydrophobicContact CB-CG 4.43Å; W767-R774 HydrophobicContact CD2-CB 4.28Å; W767-R774 HydrophobicContact CD2-CG 3.97Å; W767-R774 HydrophobicContact CE3-CB 3.57Å; W767-R774 HydrophobicContact CE3-CG 3.78Å; W767-R774 HydrophobicContact CG-CG 4.25Å; W767-R774 HydrophobicContact CZ3-CB 3.81Å; W767-R774 HydrophobicContact CZ3-CG 4.37Å; W767-Y777 HydrophobicContact CH2-CG 4.21Å; W767-Y777 HydrophobicContact CZ3-CD1 4.46Å; W767-Y777 HydrophobicContact CZ3-CG 4.25Å |
| 768 | M | 93.5 | Very high | 91 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.5 | 164.2 | -179.9 | -176.2 | -177.7 | 0 | 0 | 109.4 | I573 I581 F583 T775 A776 L806 P823 A824 | I573-M768 HydrophobicContact CG2-CE 4.08Å; I581-M768 HydrophobicContact CD1-CE 3.64Å; I581-M768 HydrophobicContact CG1-CE 4.02Å; I581-M768 HydrophobicContact CG2-CE 3.86Å; I581-M768 HydrophobicContact CG2-CG 4.07Å; F583-M768 HydrophobicContact CD1-CB 4.02Å; F583-M768 HydrophobicContact CD1-CG 4.3Å; F583-M768 HydrophobicContact CE1-CB 3.84Å; F583-M768 HydrophobicContact CE1-CG 3.75Å; F583-M768 HydrophobicContact CE1-SD 4.42Å; M768-T775 PolarHBondContact O-N 2.92Å; M768-T775 PolarHBondContact O-OG1 2.92Å; M768-T775 VanDerWaalsContact O-OG1 3.1Å; M768-A776 HydrophobicContact CB-CB 4.17Å; M768-A776 PolarHBondContact N-O 2.94Å; M768-A776 HydrophobicContact SD-CB 4.31Å; M768-L806 HydrophobicContact CB-CD1 3.59Å; M768-L806 HydrophobicContact CG-CD1 4.35Å; M768-L806 HydrophobicContact SD-CD1 4.17Å; M768-P823 HydrophobicContact SD-CB 4.36Å; M768-A824 HydrophobicContact CE-CB 4.36Å; M768-A824 HydrophobicContact SD-CB 3.94Å |
| 769 | L | 89.8 | Confident | 91.1 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.3 | 178 | -65.8 | 81.8 | 0 | 0 | 0 | 109.5 | I581 E582 E584 W767 K773 R774 | I581-L769 VanDerWaalsContact CA-O 3.31Å; I581-L769 WeakPolarHBondContact CA-O 3.17Å; E582-L769 HydrophobicContact CG-CB 3.7Å; E582-L769 HydrophobicContact CG-CD1 4.47Å; E582-L769 HydrophobicContact CG-CD2 4.42Å; E582-L769 HydrophobicContact CG-CG 4.41Å; E582-L769 PolarHBondContact N-O 3.44Å; E582-L769 PolarHBondContact O-N 2.91Å; E584-L769 HydrophobicContact CB-CD1 3.48Å; E584-L769 VanDerWaalsContact CB-CD1 3.48Å; W767-L769 HydrophobicContact CB-CD1 3.81Å; L769-K773 CarbonylContact C-O 3.59Å; L769-K773 VanDerWaalsContact CA-O 3.23Å; L769-K773 WeakPolarHBondContact CA-O 3.35Å; L769-R774 HydrophobicContact CG-CG 4.22Å |
| 770 | C | 85.5 | Confident | 91.4 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114 | 174 | 172.1 | 0 | 0 | 0 | 0 | 108.6 | S577 G772 K773 T775 | S577-C770 WeakPolarHBondContact CB-SG 3.49Å; C770-G772 PolarHBondContact O-N 3.27Å; C770-K773 PolarHBondContact N-O 2.88Å; C770-K773 PolarHBondContact O-N 2.93Å; C770-K773 VanDerWaalsContact O-N 3.1Å; C770-T775 HydrophobicContact CB-CG2 3.9Å |
| 771 | G | 75 | Confident | 91.5 | Very high | 54 Ų | 54 | 26 Ų | 26 | 56% | 0.557 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 31.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P580 | P580-G771 PolarHBondContact O-N 3.23Š|
| 772 | G | 75.3 | Confident | 91.5 | Very high | 55 Ų | 55 | 26 Ų | 26 | 57% | 0.567 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -2.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | C770 | C770-G772 PolarHBondContact O-N 3.27Š|
| 773 | K | 82.7 | Confident | 91.4 | Very high | 146 Ų | 146 | 27 Ų | 27 | 64% | 0.635 | 16% | 0.16 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.1 | 176.8 | -63.5 | -174.3 | 179.5 | -176.9 | 0 | 111.8 | L769 C770 T775 | L769-K773 CarbonylContact C-O 3.59Å; L769-K773 VanDerWaalsContact CA-O 3.23Å; L769-K773 WeakPolarHBondContact CA-O 3.35Å; C770-K773 PolarHBondContact N-O 2.88Å; C770-K773 PolarHBondContact O-N 2.93Å; C770-K773 VanDerWaalsContact O-N 3.1Å; K773-T775 PolarHBondContact O-N 2.79Å |
| 774 | R | 87.7 | Confident | 91.4 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 118.2 | -179.5 | -74.5 | 174.4 | 174.1 | 147.7 | -0.4 | 109.7 | R498 E499 E584 N592 W767 L769 | R498-R774 PolarHBondContact O-NH1 2.8Å; E499-R774 WeakPolarHBondContact OE1-CB 3.44Å; E499-R774 PolarHBondContact OE1-N 2.93Å; E584-R774 IonicContact OE1-CZ 3.42Å; E584-R774 IonicContact OE1-NE 3.76Å; E584-R774 PolarHBondContact OE1-NE 3.24Å; E584-R774 IonicContact OE1-NH2 2.96Å; E584-R774 PolarHBondContact OE1-NH2 2.89Å; E584-R774 IonicContact OE2-NH2 2.73Å; N592-R774 PolarHBondContact OD1-NH2 3.01Å; W767-R774 HydrophobicContact CB-CG 4.43Å; W767-R774 HydrophobicContact CD2-CB 4.28Å; W767-R774 HydrophobicContact CD2-CG 3.97Å; W767-R774 HydrophobicContact CE3-CB 3.57Å; W767-R774 HydrophobicContact CE3-CG 3.78Å; W767-R774 HydrophobicContact CG-CG 4.25Å; W767-R774 HydrophobicContact CZ3-CB 3.81Å; W767-R774 HydrophobicContact CZ3-CG 4.37Å; L769-R774 HydrophobicContact CG-CG 4.22Å |
| 775 | T | 86.9 | Confident | 91.3 | Very high | 58 Ų | 58 | 28.5 Ų | 28.5 | 36% | 0.356 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -32.6 | -171.9 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | M768 C770 K773 | M768-T775 PolarHBondContact O-N 2.92Å; M768-T775 PolarHBondContact O-OG1 2.92Å; M768-T775 VanDerWaalsContact O-OG1 3.1Å; C770-T775 HydrophobicContact CB-CG2 3.9Å; K773-T775 PolarHBondContact O-N 2.79Å |
| 776 | A | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 160.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | M768 L806 K807 P823 | M768-A776 HydrophobicContact CB-CB 4.17Å; M768-A776 PolarHBondContact N-O 2.94Å; M768-A776 HydrophobicContact SD-CB 4.31Å; A776-L806 HydrophobicContact CB-CB 4.03Å; A776-L806 HydrophobicContact CB-CD1 4.35Å; A776-K807 CarbonylContact C-O 3.57Å; A776-K807 VanDerWaalsContact CA-O 3.27Å; A776-K807 WeakPolarHBondContact CA-O 3.42Å; A776-K807 WeakPolarHBondContact CB-O 3.28Å; A776-P823 HydrophobicContact CB-CB 3.6Å; A776-P823 HydrophobicContact CB-CG 3.81Å |
| 777 | Y | 94.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 167.3 | -177.8 | 79.8 | -69 | 0 | 0 | 0 | 113.4 | V518 I765 I766 W767 R779 K807 P809 | V518-Y777 HydrophobicContact CB-CD1 4.15Å; V518-Y777 HydrophobicContact CB-CD2 4.1Å; V518-Y777 HydrophobicContact CB-CE1 3.75Å; V518-Y777 HydrophobicContact CB-CE2 3.67Å; V518-Y777 HydrophobicContact CB-CG 4.34Å; V518-Y777 VanDerWaalsContact CB-CZ 3.5Å; V518-Y777 HydrophobicContact CG1-CD1 4.32Å; V518-Y777 HydrophobicContact CG1-CE1 3.48Å; V518-Y777 VanDerWaalsContact CG1-CE1 3.48Å; V518-Y777 HydrophobicContact CG1-CE2 3.95Å; V518-Y777 WeakPolarHBondContact CG1-OH 3.44Å; I765-Y777 HydrophobicContact CG2-CD2 4.45Å; I766-Y777 CarbonylContact O-C 3.56Å; I766-Y777 WeakPolarHBondContact O-CA 3.06Å; W767-Y777 HydrophobicContact CH2-CG 4.21Å; W767-Y777 HydrophobicContact CZ3-CD1 4.46Å; W767-Y777 HydrophobicContact CZ3-CG 4.25Å; Y777-R779 HydrophobicContact CD2-CG 4.19Å; Y777-R779 HydrophobicContact CE2-CG 4.01Å; Y777-K807 HydrophobicContact CD1-CG 4.4Å; Y777-K807 WeakPolarHBondContact CD1-O 3.37Å; Y777-K807 HydrophobicContact CE1-CG 3.97Å; Y777-K807 PolarHBondContact N-O 3.47Å; Y777-K807 PolarHBondContact O-N 3.49Å; Y777-K807 VanDerWaalsContact OH-CE 3.28Å; Y777-K807 WeakPolarHBondContact OH-CE 3.39Å; Y777-P809 HydrophobicContact CD1-CG 4.22Å; Y777-P809 HydrophobicContact CE1-CG 4.36Å |
| 778 | H | 96.3 | Very high | 91.2 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 26% | 0.255 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 145.6 | 163.4 | -161.4 | 93.6 | 0 | 0 | 0 | 110 | I765 I766 I804 N805 L806 | I765-H778 WeakPolarHBondContact CA-O 3.25Å; I766-H778 PolarHBondContact N-O 2.83Å; I766-H778 PolarHBondContact O-N 3.1Å; H778-I804 HydrophobicContact CB-CG2 3.78Å; H778-I804 VanDerWaalsContact CD2-CG2 3.41Å; H778-I804 WeakPolarHBondContact CD2-CG2 3.33Å; H778-I804 VanDerWaalsContact ND1-CG2 3.31Å; H778-I804 WeakPolarHBondContact ND1-CG2 3.49Å; H778-N805 PolarHBondContact ND1-O 3.48Å; H778-L806 HydrophobicContact CB-CD2 3.72Å |
| 779 | R | 95.4 | Very high | 91.1 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 17% | 0.166 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.7 | 176.7 | -78.1 | 175 | 58.5 | 178.9 | -0.9 | 109.4 | Y494 G517 D763 I764 I765 Y777 | Y494-R779 VanDerWaalsContact CE2-NH2 3.34Å; Y494-R779 VanDerWaalsContact CZ-NH2 3.34Å; G517-R779 PolarHBondContact O-NH1 2.86Å; D763-R779 HydrophobicContact CB-CB 4.49Å; D763-R779 IonicContact OD2-CZ 3.76Å; D763-R779 IonicContact OD2-NE 2.71Å; D763-R779 PolarHBondContact OD2-NE 3.12Å; D763-R779 IonicContact OD2-NH2 3.17Å; D763-R779 PolarHBondContact OD2-NH2 2.91Å; I764-R779 CarbonylContact O-C 3.52Å; I764-R779 WeakPolarHBondContact O-CA 3.32Å; I765-R779 HydrophobicContact CG1-CG 4.28Å; Y777-R779 HydrophobicContact CD2-CG 4.19Å; Y777-R779 HydrophobicContact CE2-CG 4.01Å |
| 780 | I | 96.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.9 | 177.6 | -55 | 174.4 | 0 | 0 | 0 | 107.4 | D763 I764 I766 V785 I804 V830 | D763-I780 WeakPolarHBondContact CA-O 3.46Å; I764-I780 HydrophobicContact CB-CB 4.25Å; I764-I780 PolarHBondContact N-O 3Å; I764-I780 PolarHBondContact O-N 3.12Å; I766-I780 HydrophobicContact CD1-CD1 3.85Å; I766-I780 HydrophobicContact CG1-CD1 4.25Å; I780-V785 HydrophobicContact CG2-CG1 3.98Å; I780-V785 HydrophobicContact CG2-CG2 4.24Å; I780-I804 HydrophobicContact CD1-CD1 3.59Å; I780-I804 HydrophobicContact CG1-CD1 4.27Å; I780-V830 HydrophobicContact CD1-CG2 4.26Å |
| 781 | P | 95.7 | Very high | 91.5 | Very high | 28 Ų | 28 | 44 Ų | 44 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | trans | -57.6 | 137.2 | 172.4 | -23.6 | 34 | 0 | 0 | 0 | 111.4 | H783 E784 | P781-H783 VanDerWaalsContact C-N 3.28Å; P781-H783 PolarHBondContact O-N 2.82Å; P781-E784 HydrophobicContact CB-CG 4.35Å; P781-E784 WeakPolarHBondContact CD-OE1 3.4Å; P781-E784 PolarHBondContact O-N 2.72Å | ||
| 782 | A | 95.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -59.7 | -35.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | I761 E784 V785 L786 F832 | I761-A782 HydrophobicContact CB-CB 4.32Å; I761-A782 HydrophobicContact CG2-CB 3.72Å; A782-E784 VanDerWaalsContact C-N 3.3Å; A782-E784 PolarHBondContact O-N 2.85Å; A782-V785 PolarHBondContact O-N 2.73Å; A782-L786 WeakPolarHBondContact O-CB 3.43Å; A782-L786 PolarHBondContact O-N 2.77Å; A782-F832 HydrophobicContact CB-CD1 4.22Å; A782-F832 HydrophobicContact CB-CE1 4.12Å |
| 783 | H | 95.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -64.2 | -31.5 | -178.5 | 68.6 | -93 | 0 | 0 | 0 | 113.3 | L642 N646 M759 P781 V785 L786 G795 | L642-H783 HydrophobicContact CB-CB 4.23Å; L642-H783 HydrophobicContact CD2-CB 4.18Å; N646-H783 PolarHBondContact ND2-O 3.13Å; N646-H783 VanDerWaalsContact ND2-O 3.11Å; N646-H783 PolarHBondContact OD1-O 2.86Å; M759-H783 PolarHBondContact SD-ND1 2.78Å; M759-H783 VanDerWaalsContact SD-ND1 3.4Å; P781-H783 VanDerWaalsContact C-N 3.28Å; P781-H783 PolarHBondContact O-N 2.82Å; H783-V785 PolarHBondContact O-N 2.81Å; H783-V785 VanDerWaalsContact O-N 3.17Å; H783-L786 PolarHBondContact O-N 2.74Å; H783-G795 WeakPolarHBondContact O-CA 3.09Å |
| 784 | E | 94.8 | Very high | 93.9 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -61.1 | -27.8 | 179.6 | -71.1 | -169.4 | -147.6 | 0 | 0 | 112.6 | P781 A782 G795 L796 K797 C798 | P781-E784 HydrophobicContact CB-CG 4.35Å; P781-E784 WeakPolarHBondContact CD-OE1 3.4Å; P781-E784 PolarHBondContact O-N 2.72Å; A782-E784 VanDerWaalsContact C-N 3.3Å; A782-E784 PolarHBondContact O-N 2.85Å; E784-G795 CarbonylContact O-C 3.54Å; E784-G795 VanDerWaalsContact O-C 3.26Å; E784-G795 WeakPolarHBondContact O-CA 3.32Å; E784-L796 PolarHBondContact O-N 2.96Å; E784-K797 CarbonylContact O-C 3.5Å; E784-K797 WeakPolarHBondContact O-CA 3.14Å; E784-K797 PolarHBondContact O-N 3.07Å; E784-K797 IonicContact OE2-NZ 2.59Å; E784-K797 PolarHBondContact OE2-NZ 2.96Å; E784-C798 PolarHBondContact O-N 2.88Å |
| 785 | V | 96.2 | 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 | -123.7 | 13 | -174 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | I764 I780 A782 H783 K797 C798 V830 F832 | I764-V785 HydrophobicContact CD1-CG2 3.41Å; I764-V785 VanDerWaalsContact CD1-CG2 3.41Å; I780-V785 HydrophobicContact CG2-CG1 3.98Å; I780-V785 HydrophobicContact CG2-CG2 4.24Å; A782-V785 PolarHBondContact O-N 2.73Å; H783-V785 PolarHBondContact O-N 2.81Å; H783-V785 VanDerWaalsContact O-N 3.17Å; V785-K797 HydrophobicContact CG1-CB 4.34Å; V785-C798 PolarHBondContact O-SG 3.45Å; V785-V830 HydrophobicContact CB-CB 4.24Å; V785-V830 HydrophobicContact CB-CG1 3.78Å; V785-V830 HydrophobicContact CG1-CB 3.82Å; V785-V830 HydrophobicContact CG1-CG1 3.75Å; V785-V830 HydrophobicContact CG2-CG1 3.77Å; V785-F832 HydrophobicContact CG2-CB 4.08Å; V785-F832 PolarHBondContact O-N 2.9Å |
| 786 | L | 96.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 128.6 | 178.7 | -175.2 | 73 | 0 | 0 | 0 | 110.8 | Y561 L642 A782 H783 G795 F832 | Y561-L786 HydrophobicContact CE1-CD1 4.28Å; L642-L786 HydrophobicContact CB-CD2 3.59Å; L642-L786 HydrophobicContact CD1-CD2 3.77Å; L642-L786 HydrophobicContact CG-CD2 4.3Å; A782-L786 WeakPolarHBondContact O-CB 3.43Å; A782-L786 PolarHBondContact O-N 2.77Å; H783-L786 PolarHBondContact O-N 2.74Å; L786-G795 PolarHBondContact O-N 3.33Å; L786-F832 CarbonylContact C-O 3.55Å; L786-F832 VanDerWaalsContact CA-O 3.28Å; L786-F832 WeakPolarHBondContact CA-O 2.96Å; L786-F832 HydrophobicContact CD1-CD1 3.67Å; L786-F832 HydrophobicContact CD1-CE1 3.93Å |
| 787 | Y | 96 | Very high | 94.5 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 14% | 0.137 | 20% | 0.195 | C | C | . | . | trans | -80.6 | 139.9 | 173 | -180 | -95.2 | 0 | 0 | 0 | 111.2 | D789 W831 F832 D837 A840 | Y787-D789 VanDerWaalsContact CE1-OD1 3.28Å; Y787-D789 WeakPolarHBondContact CE1-OD1 3.28Å; Y787-D789 PolarHBondContact OH-OD1 2.89Å; Y787-W831 AromaticContact CD1-CZ2 3.89Å; Y787-W831 HydrophobicContact CD1-CZ2 3.89Å; Y787-W831 HydrophobicContact CD2-CZ2 4.27Å; Y787-W831 AromaticContact CD2-NE1 3.24Å; Y787-W831 AromaticContact CG-CE2 3.71Å; Y787-W831 AromaticContact CG-CZ2 3.64Å; Y787-W831 HydrophobicContact CG-CZ2 3.64Å; Y787-W831 AromaticContact CG-NE1 3.4Å; Y787-F832 PolarHBondContact N-O 2.93Å; Y787-D837 HydrophobicContact CD1-CB 3.68Å; Y787-D837 HydrophobicContact CE1-CB 3.61Å; Y787-A840 HydrophobicContact CD2-CB 4.16Å; Y787-A840 HydrophobicContact CE1-CB 4.05Å; Y787-A840 HydrophobicContact CE2-CB 3.44Å; Y787-A840 VanDerWaalsContact CE2-CB 3.44Å; Y787-A840 WeakPolarHBondContact OH-CB 3.49Å | ||
| 788 | H | 94.2 | Very high | 94.5 | Very high | 54 Ų | 54 | 41.2 Ų | 41.2 | 25% | 0.25 | 20% | 0.198 | C | C | . | . | trans | -148.6 | 146.2 | 169.9 | -166 | -79.7 | 0 | 0 | 0 | 108.5 | N790 Y793 R794 | H788-N790 PolarHBondContact ND1-N 3.12Å; H788-N790 PolarHBondContact ND1-O 3.25Å; H788-Y793 AromaticContact CE1-CD2 3.53Å; H788-Y793 AromaticContact ND1-CD2 3.79Å; H788-Y793 AromaticContact NE2-CD2 3.94Å; H788-R794 HydrophobicContact CB-CB 4.45Å; H788-R794 PolarHBondContact O-NE 3.12Å; H788-R794 PolarHBondContact O-NH2 3.08Å | ||
| 789 | D | 90.6 | Very high | 94.2 | Very high | 104 Ų | 104 | 39.8 Ų | 39.8 | 56% | 0.556 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -64.8 | -44.9 | -179.7 | -74.7 | -24.2 | 0 | 0 | 0 | 111.6 | Y787 E791 R794 | Y787-D789 VanDerWaalsContact CE1-OD1 3.28Å; Y787-D789 WeakPolarHBondContact CE1-OD1 3.28Å; Y787-D789 PolarHBondContact OH-OD1 2.89Å; D789-E791 PolarHBondContact O-N 3.2Å; D789-R794 PolarHBondContact O-NH2 2.89Å |
| 790 | N | 93 | Very high | 94 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 33% | 0.326 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -69.3 | 123.1 | 167.1 | -171.2 | -7 | 0 | 0 | 0 | 110.6 | H788 D792 Y793 R794 | H788-N790 PolarHBondContact ND1-N 3.12Å; H788-N790 PolarHBondContact ND1-O 3.25Å; N790-D792 VanDerWaalsContact C-N 3.29Å; N790-D792 PolarHBondContact O-N 3.39Å; N790-D792 PolarHBondContact OD1-N 3.38Å; N790-D792 VanDerWaalsContact OD1-N 3.11Å; N790-Y793 HydrophobicContact CB-CD2 3.88Å; N790-Y793 HydrophobicContact CB-CE2 4.19Å; N790-Y793 HydrophobicContact CB-CG 4.44Å; N790-Y793 WeakPolarHBondContact ND2-CE2 3.35Å; N790-Y793 PolarHBondContact O-N 3.17Å; N790-R794 PolarHBondContact O-N 2.91Å |
| 791 | E | 90.5 | Very high | 93.7 | Very high | 118 Ų | 118 | 41.2 Ų | 41.2 | 55% | 0.551 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -61 | -36 | 179.4 | -63.9 | -167.5 | 160.1 | 0 | 0 | 112.6 | R650 D789 Y793 R794 | R650-E791 PolarHBondContact NH1-O 3.21Å; R650-E791 PolarHBondContact NH2-O 2.98Å; D789-E791 PolarHBondContact O-N 3.2Å; E791-Y793 PolarHBondContact O-N 3.18Å; E791-Y793 VanDerWaalsContact O-N 3.13Å; E791-R794 WeakPolarHBondContact O-CB 3.28Å; E791-R794 PolarHBondContact O-N 3.1Å |
| 792 | D | 92.2 | Very high | 93.4 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -57.3 | -31.9 | -179.6 | -68.8 | -21.1 | 0 | 0 | 0 | 112.8 | L647 H692 N790 | L647-D792 VanDerWaalsContact CA-O 3.26Å; L647-D792 WeakPolarHBondContact CA-O 3.31Å; L647-D792 HydrophobicContact CD1-CB 4.22Å; L647-D792 PolarHBondContact N-O 3.01Å; H692-D792 IonicContact CE1-OD1 3.79Å; H692-D792 IonicContact CE1-OD2 2.85Å; H692-D792 PolarHBondContact CE1-OD2 3.3Å; H692-D792 IonicContact CG-OD2 3.6Å; H692-D792 IonicContact ND1-OD1 3.53Å; H692-D792 IonicContact ND1-OD2 3.08Å; H692-D792 PolarHBondContact ND1-OD2 3.03Å; N790-D792 VanDerWaalsContact C-N 3.29Å; N790-D792 PolarHBondContact O-N 3.39Å; N790-D792 PolarHBondContact OD1-N 3.38Å; N790-D792 VanDerWaalsContact OD1-N 3.11Å |
| 793 | Y | 95.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -99.7 | -3.6 | -176 | -51.4 | -25.7 | 0 | 0 | 0 | 112.7 | N646 L647 T693 P695 H788 N790 E791 | N646-Y793 WeakPolarHBondContact CB-O 3.3Å; N646-Y793 PolarHBondContact ND2-O 3.39Å; L647-Y793 HydrophobicContact CB-CD1 4.27Å; L647-Y793 HydrophobicContact CD2-CE1 4.24Å; T693-Y793 PolarHBondContact O-OH 3.15Å; P695-Y793 HydrophobicContact CB-CD2 4.25Å; P695-Y793 HydrophobicContact CB-CE2 4.08Å; P695-Y793 HydrophobicContact CG-CD1 3.68Å; P695-Y793 HydrophobicContact CG-CD2 3.88Å; P695-Y793 HydrophobicContact CG-CE1 3.73Å; P695-Y793 HydrophobicContact CG-CE2 3.93Å; P695-Y793 HydrophobicContact CG-CG 3.79Å; H788-Y793 AromaticContact CE1-CD2 3.53Å; H788-Y793 AromaticContact ND1-CD2 3.79Å; H788-Y793 AromaticContact NE2-CD2 3.94Å; N790-Y793 HydrophobicContact CB-CD2 3.88Å; N790-Y793 HydrophobicContact CB-CE2 4.19Å; N790-Y793 HydrophobicContact CB-CG 4.44Å; N790-Y793 WeakPolarHBondContact ND2-CE2 3.35Å; N790-Y793 PolarHBondContact O-N 3.17Å; E791-Y793 PolarHBondContact O-N 3.18Å; E791-Y793 VanDerWaalsContact O-N 3.13Å |
| 794 | R | 95.9 | Very high | 93.4 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 21% | 0.211 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -79 | 139.1 | -179.8 | -170.7 | -178.6 | -61.5 | 158.5 | 4.2 | 110.2 | R650 H788 D789 N790 E791 L796 C798 | R650-R794 PolarHBondContact NH2-O 3.01Å; H788-R794 HydrophobicContact CB-CB 4.45Å; H788-R794 PolarHBondContact O-NE 3.12Å; H788-R794 PolarHBondContact O-NH2 3.08Å; D789-R794 PolarHBondContact O-NH2 2.89Å; N790-R794 PolarHBondContact O-N 2.91Å; E791-R794 WeakPolarHBondContact O-CB 3.28Å; E791-R794 PolarHBondContact O-N 3.1Å; R794-L796 PolarHBondContact O-N 3.35Å; R794-C798 HydrophobicContact CG-CB 3.88Å |
| 795 | G | 95.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | -56.2 | 134.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N646 H783 E784 L786 K797 C798 | N646-G795 WeakPolarHBondContact ND2-CA 3.3Å; N646-G795 PolarHBondContact ND2-N 3.25Å; N646-G795 VanDerWaalsContact ND2-N 3.18Å; H783-G795 WeakPolarHBondContact O-CA 3.09Å; E784-G795 CarbonylContact O-C 3.54Å; E784-G795 VanDerWaalsContact O-C 3.26Å; E784-G795 WeakPolarHBondContact O-CA 3.32Å; L786-G795 PolarHBondContact O-N 3.33Å; G795-K797 PolarHBondContact O-N 3.23Å; G795-K797 VanDerWaalsContact O-N 3.08Å; G795-C798 VanDerWaalsContact O-CB 3.24Å; G795-C798 WeakPolarHBondContact O-CB 3.44Å; G795-C798 PolarHBondContact O-N 3.19Å | ||
| 796 | L | 92.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.5 | -175.1 | -72.6 | 170.7 | 0 | 0 | 0 | 113.5 | L649 R650 D653 E784 R794 | L649-L796 HydrophobicContact CB-CD1 4.05Å; R650-L796 HydrophobicContact CB-CD2 4.08Å; R650-L796 HydrophobicContact CG-CD2 4.26Å; D653-L796 HydrophobicContact CB-CD1 4.38Å; E784-L796 PolarHBondContact O-N 2.96Å; R794-L796 PolarHBondContact O-N 3.35Å |
| 797 | K | 92.3 | Very high | 93 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 10.7 | -179.5 | -56.3 | -176.7 | -168.3 | 152.4 | 0 | 113.3 | E784 V785 G795 G799 T800 Q802 | E784-K797 CarbonylContact O-C 3.5Å; E784-K797 WeakPolarHBondContact O-CA 3.14Å; E784-K797 PolarHBondContact O-N 3.07Å; E784-K797 IonicContact OE2-NZ 2.59Å; E784-K797 PolarHBondContact OE2-NZ 2.96Å; V785-K797 HydrophobicContact CG1-CB 4.34Å; G795-K797 PolarHBondContact O-N 3.23Å; G795-K797 VanDerWaalsContact O-N 3.08Å; K797-G799 PolarHBondContact O-N 2.9Å; K797-T800 WeakPolarHBondContact CA-OG1 3.17Å; K797-T800 PolarHBondContact O-OG1 3.06Å; K797-Q802 VanDerWaalsContact CD-OE1 3.3Å |
| 798 | C | 95.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.081 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -70.2 | 121.2 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | E784 V785 R794 G795 T800 | E784-C798 PolarHBondContact O-N 2.88Å; V785-C798 PolarHBondContact O-SG 3.45Å; R794-C798 HydrophobicContact CG-CB 3.88Å; G795-C798 VanDerWaalsContact O-CB 3.24Å; G795-C798 WeakPolarHBondContact O-CB 3.44Å; G795-C798 PolarHBondContact O-N 3.19Å; C798-T800 PolarHBondContact O-N 3.11Å |
| 799 | G | 90 | Very high | 92.4 | Very high | 24 Ų | 24 | 45 Ų | 45 | 25% | 0.247 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 6.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K797 V829 V830 | K797-G799 PolarHBondContact O-N 2.9Å; G799-V829 VanDerWaalsContact C-CG1 3.46Å; G799-V829 WeakPolarHBondContact O-CG1 3.43Å; G799-V830 PolarHBondContact N-O 2.97Å |
| 800 | T | 89.6 | Confident | 91.9 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 41% | 0.405 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -103.3 | 151.2 | 176.2 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | K797 C798 | K797-T800 WeakPolarHBondContact CA-OG1 3.17Å; K797-T800 PolarHBondContact O-OG1 3.06Å; C798-T800 PolarHBondContact O-N 3.11Å |
| 801 | A | 90.4 | Very high | 91.2 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 138.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L568 V829 D1203 | L568-A801 HydrophobicContact CD1-CB 4.1Å; A801-V829 HydrophobicContact CB-CG2 4.23Å; A801-D1203 WeakPolarHBondContact CB-OD2 3.28Å |
| 802 | Q | 91.1 | Very high | 90.2 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150.4 | 176.7 | 58.9 | 178 | -52.2 | 0 | 0 | 110.6 | K797 I804 R827 V828 | K797-Q802 VanDerWaalsContact CD-OE1 3.3Å; Q802-I804 HydrophobicContact CG-CD1 4.28Å; Q802-I804 HydrophobicContact CG-CG1 4.36Å; Q802-R827 WeakPolarHBondContact O-CA 3.48Å; Q802-V828 HydrophobicContact CG-CG2 3.96Å; Q802-V828 PolarHBondContact N-O 2.93Å; Q802-V828 PolarHBondContact O-N 2.83Å |
| 803 | T | 94.3 | Very high | 89 | Confident | 37 Ų | 37 | 45 Ų | 45 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124 | 179.8 | -51.4 | 0 | 0 | 0 | 0 | 110.2 | Q825 L826 R827 P1206 | T803-Q825 HydrophobicContact CG2-CG 3.52Å; T803-L826 CarbonylContact C-O 3.53Å; T803-L826 WeakPolarHBondContact CA-O 2.96Å; T803-R827 PolarHBondContact OG1-NH1 3.09Å; T803-P1206 HydrophobicContact CG2-CG 3.79Å; T803-P1206 WeakPolarHBondContact OG1-CD 2.98Å |
| 804 | I | 94.4 | Very high | 87.6 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.1 | -171.5 | -58.2 | -179.8 | 0 | 0 | 0 | 109.4 | I766 H778 I780 Q802 Q825 L826 V828 | I766-I804 HydrophobicContact CD1-CD1 4.25Å; H778-I804 HydrophobicContact CB-CG2 3.78Å; H778-I804 VanDerWaalsContact CD2-CG2 3.41Å; H778-I804 WeakPolarHBondContact CD2-CG2 3.33Å; H778-I804 VanDerWaalsContact ND1-CG2 3.31Å; H778-I804 WeakPolarHBondContact ND1-CG2 3.49Å; I780-I804 HydrophobicContact CD1-CD1 3.59Å; I780-I804 HydrophobicContact CG1-CD1 4.27Å; Q802-I804 HydrophobicContact CG-CD1 4.28Å; Q802-I804 HydrophobicContact CG-CG1 4.36Å; I804-Q825 WeakPolarHBondContact O-CA 3.34Å; I804-L826 PolarHBondContact N-O 2.85Å; I804-L826 PolarHBondContact O-N 3.18Å; I804-V828 HydrophobicContact CD1-CG2 3.68Å; I804-V828 HydrophobicContact CG1-CG2 4.31Å |
| 805 | N | 94.6 | Very high | 85.9 | Confident | 42 Ų | 42 | 49 Ų | 49 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.8 | 171 | -63.7 | -35.5 | 0 | 0 | 0 | 109.4 | H778 I822 Q825 Q1227 | H778-N805 PolarHBondContact ND1-O 3.48Å; N805-I822 HydrophobicContact CB-CD1 4.12Å; N805-I822 HydrophobicContact CB-CG2 4.06Å; N805-Q825 WeakPolarHBondContact OD1-CG 3.4Å; N805-Q825 PolarHBondContact OD1-NE2 3Å; N805-Q1227 PolarHBondContact ND2-NE2 3.13Å; N805-Q1227 VanDerWaalsContact ND2-NE2 3.17Å |
| 806 | L | 94.7 | Very high | 84.1 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | trans | -77.1 | 161.6 | 175.6 | -57.8 | -169.7 | 0 | 0 | 0 | 111.2 | F583 M768 A776 H778 P823 A824 L826 | F583-L806 HydrophobicContact CD1-CD1 4.4Å; F583-L806 HydrophobicContact CE1-CD1 3.95Å; M768-L806 HydrophobicContact CB-CD1 3.59Å; M768-L806 HydrophobicContact CG-CD1 4.35Å; M768-L806 HydrophobicContact SD-CD1 4.17Å; A776-L806 HydrophobicContact CB-CB 4.03Å; A776-L806 HydrophobicContact CB-CD1 4.35Å; H778-L806 HydrophobicContact CB-CD2 3.72Å; L806-P823 VanDerWaalsContact O-CD 3.27Å; L806-P823 WeakPolarHBondContact O-CD 3.36Å; L806-A824 HydrophobicContact CD1-CB 4.02Å; L806-A824 HydrophobicContact CG-CB 4.39Å; L806-A824 PolarHBondContact N-O 3.2Å; L806-L826 HydrophobicContact CD1-CD1 4.17Å; L806-L826 HydrophobicContact CD1-CG 4.49Å; L806-L826 HydrophobicContact CD2-CD1 3.91Å; L806-L826 HydrophobicContact CD2-CG 4.41Å; L806-L826 HydrophobicContact CG-CD1 4.24Å; L806-L826 HydrophobicContact CG-CG 4.36Å | ||
| 807 | K | 91 | Very high | 82.6 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | -139.1 | 156.6 | 174.6 | 60 | -178.7 | -179.7 | 175.8 | 0 | 111.8 | A776 Y777 | A776-K807 CarbonylContact C-O 3.57Å; A776-K807 VanDerWaalsContact CA-O 3.27Å; A776-K807 WeakPolarHBondContact CA-O 3.42Å; A776-K807 WeakPolarHBondContact CB-O 3.28Å; Y777-K807 HydrophobicContact CD1-CG 4.4Å; Y777-K807 WeakPolarHBondContact CD1-O 3.37Å; Y777-K807 HydrophobicContact CE1-CG 3.97Å; Y777-K807 PolarHBondContact N-O 3.47Å; Y777-K807 PolarHBondContact O-N 3.49Å; Y777-K807 VanDerWaalsContact OH-CE 3.28Å; Y777-K807 WeakPolarHBondContact OH-CE 3.39Å |
| 808 | K | 89.2 | Confident | 80.9 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | trans | -82.3 | 152.3 | 175.1 | -60.7 | -177.9 | -164.7 | 162.5 | 0 | 110.4 | T810 E819 P823 | K808-T810 PolarHBondContact O-N 3Å; K808-E819 IonicContact NZ-OE1 3.13Å; K808-E819 PolarHBondContact NZ-OE1 2.88Å; K808-E819 IonicContact NZ-OE2 3.41Å; K808-P823 HydrophobicContact CG-CG 3.92Å | ||
| 809 | P | 87.2 | Confident | 79.6 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 8% | 0.078 | 34% | 0.336 | C | S | . | . | trans | -62.5 | 126.3 | 169.3 | -21.4 | 33.4 | 0 | 0 | 0 | 111.5 | P497 Y507 V518 Y777 | P497-P809 HydrophobicContact CG-CB 4.24Å; P497-P809 HydrophobicContact CG-CG 3.97Å; Y507-P809 HydrophobicContact CD1-CB 4.29Å; Y507-P809 HydrophobicContact CD2-CB 4.38Å; Y507-P809 HydrophobicContact CE1-CB 3.91Å; Y507-P809 WeakPolarHBondContact CE1-O 3.26Å; Y507-P809 HydrophobicContact CE2-CB 3.97Å; Y507-P809 HydrophobicContact CE2-CG 4.48Å; Y507-P809 PolarHBondContact OH-O 3.45Å; Y507-P809 VanDerWaalsContact OH-O 3.12Å; V518-P809 HydrophobicContact CG1-CB 4.03Å; V518-P809 HydrophobicContact CG2-CB 4.31Å; V518-P809 HydrophobicContact CG2-CG 4.38Å; Y777-P809 HydrophobicContact CD1-CG 4.22Å; Y777-P809 HydrophobicContact CE1-CG 4.36Å | ||
| 810 | T | 81.6 | Confident | 79 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 32% | 0.319 | 34% | 0.336 | S | S | . | . | trans | -129.9 | 144.7 | -177.4 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | K808 | K808-T810 PolarHBondContact O-N 3Š| ||
| 811 | L | 78.4 | Confident | 78.8 | Confident | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | trans | -93.6 | 152.5 | 171.6 | -65.2 | 178.7 | 0 | 0 | 0 | 110.2 | K506 Y507 A509 L510 K813 D814 E815 | K506-L811 WeakPolarHBondContact O-CD1 3.34Å; Y507-L811 HydrophobicContact CD1-CD2 4.23Å; Y507-L811 HydrophobicContact CD1-CG 4.12Å; A509-L811 HydrophobicContact CB-CD2 4.09Å; L510-L811 HydrophobicContact CD2-CD2 3.84Å; L510-L811 HydrophobicContact CG-CD2 3.77Å; L811-K813 HydrophobicContact CB-CG 4.04Å; L811-K813 VanDerWaalsContact CD1-CE 3.46Å; L811-K813 PolarHBondContact O-N 2.8Å; L811-D814 WeakPolarHBondContact O-CA 3.19Å; L811-D814 PolarHBondContact O-N 3.09Å; L811-E815 PolarHBondContact O-N 3.23Å; L811-E815 VanDerWaalsContact O-N 3.1Å | ||
| 812 | L | 69.3 | Low | 78.7 | Confident | 99 Ų | 99 | 69.4 Ų | 69.4 | 52% | 0.518 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -36.2 | 176.2 | -96.6 | 151.4 | 0 | 0 | 0 | 114.1 | K514 D814 | K514-L812 HydrophobicContact CB-CD1 4.49Å; L812-D814 VanDerWaalsContact C-N 3.29Å; L812-D814 PolarHBondContact O-N 3.24Å |
| 813 | K | 67.2 | Low | 78.7 | Confident | 157 Ų | 157 | 69 Ų | 69 | 68% | 0.683 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -26.1 | 177.1 | 66.3 | -178.9 | -179.4 | -174.6 | 0 | 113.6 | L811 | L811-K813 HydrophobicContact CB-CG 4.04Å; L811-K813 VanDerWaalsContact CD1-CE 3.46Å; L811-K813 PolarHBondContact O-N 2.8Å |
| 814 | D | 65 | Low | 78.6 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -14 | -177.4 | -66.3 | -58.2 | 0 | 0 | 0 | 112.2 | L811 L812 K816 K817 | L811-D814 WeakPolarHBondContact O-CA 3.19Å; L811-D814 PolarHBondContact O-N 3.09Å; L812-D814 VanDerWaalsContact C-N 3.29Å; L812-D814 PolarHBondContact O-N 3.24Å; D814-K816 PolarHBondContact O-N 3.05Å; D814-K817 WeakPolarHBondContact O-CB 3.41Å; D814-K817 PolarHBondContact O-N 3.17Å; D814-K817 IonicContact OD1-NZ 3.72Å; D814-K817 PolarHBondContact OD1-NZ 3.43Å |
| 815 | E | 59.8 | Low | 78.7 | Confident | 116 Ų | 116 | 67.4 Ų | 67.4 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.8 | 176.1 | -72.7 | -174.1 | 165.7 | 0 | 0 | 113.4 | L811 K817 | L811-E815 PolarHBondContact O-N 3.23Å; L811-E815 VanDerWaalsContact O-N 3.1Å; E815-K817 VanDerWaalsContact C-N 3.33Å |
| 816 | K | 58.5 | Low | 78.8 | Confident | 197 Ų | 197 | 65.4 Ų | 65.4 | 86% | 0.857 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.6 | 173.6 | -64.4 | -170 | 177.9 | -170.7 | 0 | 113.8 | D814 | D814-K816 PolarHBondContact O-N 3.05Š|
| 817 | K | 60.4 | Low | 78.8 | Confident | 136 Ų | 136 | 65.8 Ų | 65.8 | 59% | 0.591 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -80 | 129.2 | 176 | -71.3 | 176.8 | -178.4 | 155.3 | 0 | 109.4 | D814 E815 E819 | D814-K817 WeakPolarHBondContact O-CB 3.41Å; D814-K817 PolarHBondContact O-N 3.17Å; D814-K817 IonicContact OD1-NZ 3.72Å; D814-K817 PolarHBondContact OD1-NZ 3.43Å; E815-K817 VanDerWaalsContact C-N 3.33Å; K817-E819 VanDerWaalsContact C-N 3.34Å; K817-E819 PolarHBondContact O-N 2.75Å |
| 818 | P | 56.9 | Low | 79 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | trans | -75 | 82.6 | -177.4 | 29.6 | -34 | 0 | 0 | 0 | 111.3 | ||||
| 819 | E | 67.6 | Low | 79.2 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | trans | -89.1 | 104.4 | 160.9 | -80.2 | -157.8 | 138.3 | 0 | 0 | 109.4 | K808 K817 | K808-E819 IonicContact NZ-OE1 3.13Å; K808-E819 PolarHBondContact NZ-OE1 2.88Å; K808-E819 IonicContact NZ-OE2 3.41Å; K817-E819 VanDerWaalsContact C-N 3.34Å; K817-E819 PolarHBondContact O-N 2.75Å | ||
| 820 | W | 78.1 | Confident | 79.7 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | trans | -95.3 | -16.5 | -180 | 63.6 | -95.7 | 0 | 0 | 0 | 113.9 | F1212 F1222 R1225 | W820-F1212 HydrophobicContact CE3-CE1 4.48Å; W820-F1212 HydrophobicContact CE3-CZ 4.48Å; W820-F1212 AromaticContact CH2-CE1 3.39Å; W820-F1212 HydrophobicContact CH2-CE1 3.39Å; W820-F1212 AromaticContact CH2-CZ 3.51Å; W820-F1212 HydrophobicContact CH2-CZ 3.51Å; W820-F1212 AromaticContact CZ2-CE1 3.8Å; W820-F1212 HydrophobicContact CZ2-CE1 3.8Å; W820-F1212 HydrophobicContact CZ2-CZ 4.37Å; W820-F1212 AromaticContact CZ3-CE1 3.78Å; W820-F1212 HydrophobicContact CZ3-CE1 3.78Å; W820-F1212 AromaticContact CZ3-CZ 3.58Å; W820-F1212 HydrophobicContact CZ3-CZ 3.58Å; W820-F1222 HydrophobicContact CB-CB 4.5Å; W820-F1222 HydrophobicContact CB-CD1 3.36Å; W820-F1222 HydrophobicContact CB-CE1 3.52Å; W820-F1222 HydrophobicContact CB-CG 3.91Å; W820-F1222 HydrophobicContact CB-CZ 4.18Å; W820-F1222 HydrophobicContact CD2-CB 3.64Å; W820-F1222 AromaticContact CD2-CD1 3.99Å; W820-F1222 HydrophobicContact CD2-CD1 3.99Å; W820-F1222 AromaticContact CD2-CD2 3.78Å; W820-F1222 HydrophobicContact CD2-CD2 3.78Å; W820-F1222 HydrophobicContact CD2-CE2 4.39Å; W820-F1222 AromaticContact CD2-CG 3.53Å; W820-F1222 HydrophobicContact CD2-CG 3.53Å; W820-F1222 HydrophobicContact CE3-CB 4.18Å; W820-F1222 HydrophobicContact CE3-CD1 4.33Å; W820-F1222 AromaticContact CE3-CD2 3.45Å; W820-F1222 HydrophobicContact CE3-CD2 3.45Å; W820-F1222 VanDerWaalsContact CE3-CD2 3.45Å; W820-F1222 AromaticContact CE3-CE2 3.78Å; W820-F1222 HydrophobicContact CE3-CE2 3.78Å; W820-F1222 AromaticContact CE3-CG 3.73Å; W820-F1222 HydrophobicContact CE3-CG 3.73Å; W820-F1222 HydrophobicContact CE3-CZ 4.34Å; W820-F1222 HydrophobicContact CG-CB 3.76Å; W820-F1222 AromaticContact CG-CD1 3.57Å; W820-F1222 HydrophobicContact CG-CD1 3.57Å; W820-F1222 HydrophobicContact CG-CD2 4.26Å; W820-F1222 HydrophobicContact CG-CE1 4.17Å; W820-F1222 AromaticContact CG-CG 3.6Å; W820-F1222 HydrophobicContact CG-CG 3.6Å; W820-F1222 HydrophobicContact CZ2-CB 4.27Å; W820-F1222 AromaticContact CZ3-CD2 3.93Å; W820-F1222 HydrophobicContact CZ3-CD2 3.93Å; W820-F1222 HydrophobicContact CZ3-CE2 4.37Å; W820-F1222 HydrophobicContact CZ3-CG 4.48Å; W820-R1225 PolarHBondContact O-NH2 3.32Å | ||
| 821 | K | 84.8 | Confident | 80.4 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | trans | -77 | 135.8 | -173.2 | -65.4 | -168.1 | -178.7 | -164.9 | 0 | 111.9 | E574 | E574-K821 VanDerWaalsContact CD-CD 3.45Å; E574-K821 HydrophobicContact CG-CD 4.39Å; E574-K821 WeakPolarHBondContact OE1-CD 3.4Å; E574-K821 WeakPolarHBondContact OE1-CE 3.5Å; E574-K821 IonicContact OE1-NZ 2.66Å; E574-K821 PolarHBondContact OE1-NZ 2.92Å | ||
| 822 | I | 88 | Confident | 81.3 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | trans | -87.4 | 125.4 | 172.5 | -60.9 | 179.5 | 0 | 0 | 0 | 108.4 | N805 A824 M1208 | N805-I822 HydrophobicContact CB-CD1 4.12Å; N805-I822 HydrophobicContact CB-CG2 4.06Å; I822-A824 VanDerWaalsContact CG2-O 3.3Å; I822-A824 WeakPolarHBondContact CG2-O 3.15Å; I822-M1208 HydrophobicContact CD1-CE 4.2Å | ||
| 823 | P | 91.2 | Very high | 82.5 | Confident | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -62.4 | -41.6 | 177 | -25.6 | 35.7 | 0 | 0 | 0 | 114 | I573 E574 M768 A776 L806 K808 | I573-P823 WeakPolarHBondContact CA-O 2.98Å; E574-P823 PolarHBondContact N-O 2.79Å; M768-P823 HydrophobicContact SD-CB 4.36Å; A776-P823 HydrophobicContact CB-CB 3.6Å; A776-P823 HydrophobicContact CB-CG 3.81Å; L806-P823 VanDerWaalsContact O-CD 3.27Å; L806-P823 WeakPolarHBondContact O-CD 3.36Å; K808-P823 HydrophobicContact CG-CG 3.92Å |
| 824 | A | 93.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -163.1 | 152.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | I573 M768 L806 I822 | I573-A824 HydrophobicContact CG1-CB 3.92Å; M768-A824 HydrophobicContact CE-CB 4.36Å; M768-A824 HydrophobicContact SD-CB 3.94Å; L806-A824 HydrophobicContact CD1-CB 4.02Å; L806-A824 HydrophobicContact CG-CB 4.39Å; L806-A824 PolarHBondContact N-O 3.2Å; I822-A824 VanDerWaalsContact CG2-O 3.3Å; I822-A824 WeakPolarHBondContact CG2-O 3.15Å | ||
| 825 | Q | 95.3 | Very high | 84.9 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.9 | 168.9 | 177.4 | 173.8 | 92.1 | 0 | 0 | 109.7 | A570 T571 M572 T803 I804 N805 M1208 Q1227 | A570-Q825 WeakPolarHBondContact CA-O 3.27Å; T571-Q825 PolarHBondContact N-O 3.42Å; T571-Q825 PolarHBondContact O-N 2.87Å; M572-Q825 HydrophobicContact CB-CB 4Å; M572-Q825 HydrophobicContact CG-CB 4.25Å; T803-Q825 HydrophobicContact CG2-CG 3.52Å; I804-Q825 WeakPolarHBondContact O-CA 3.34Å; N805-Q825 WeakPolarHBondContact OD1-CG 3.4Å; N805-Q825 PolarHBondContact OD1-NE2 3Å; Q825-M1208 PolarHBondContact NE2-SD 2.73Å; Q825-Q1227 VanDerWaalsContact NE2-NE2 3.12Å |
| 826 | L | 96.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.8 | -178.7 | -52.1 | -177.8 | 0 | 0 | 0 | 110.2 | F567 A570 F583 I766 T803 I804 L806 V828 | F567-L826 HydrophobicContact CE1-CD1 4.22Å; A570-L826 HydrophobicContact CB-CD2 3.63Å; F583-L826 HydrophobicContact CD1-CD1 3.91Å; F583-L826 HydrophobicContact CD1-CD2 4.21Å; F583-L826 HydrophobicContact CD2-CD2 4.29Å; F583-L826 HydrophobicContact CE1-CD1 3.99Å; F583-L826 HydrophobicContact CE1-CD2 3.59Å; F583-L826 HydrophobicContact CE1-CG 4.34Å; F583-L826 HydrophobicContact CE2-CD2 3.65Å; F583-L826 HydrophobicContact CG-CD1 4.35Å; F583-L826 HydrophobicContact CZ-CD1 4.48Å; F583-L826 HydrophobicContact CZ-CD2 3.29Å; F583-L826 HydrophobicContact CZ-CG 4.46Å; I766-L826 HydrophobicContact CG2-CD1 3.8Å; T803-L826 CarbonylContact C-O 3.53Å; T803-L826 WeakPolarHBondContact CA-O 2.96Å; I804-L826 PolarHBondContact N-O 2.85Å; I804-L826 PolarHBondContact O-N 3.18Å; L806-L826 HydrophobicContact CD1-CD1 4.17Å; L806-L826 HydrophobicContact CD1-CG 4.49Å; L806-L826 HydrophobicContact CD2-CD1 3.91Å; L806-L826 HydrophobicContact CD2-CG 4.41Å; L806-L826 HydrophobicContact CG-CD1 4.24Å; L806-L826 HydrophobicContact CG-CG 4.36Å; L826-V828 HydrophobicContact CB-CG1 4.08Å |
| 827 | R | 94.9 | Very high | 87.8 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 115.5 | 165.9 | -167.7 | 168.5 | 175.5 | 77.6 | 1.5 | 108.4 | L568 S569 Q802 T803 D1203 P1205 | L568-R827 HydrophobicContact CB-CB 4.41Å; L568-R827 HydrophobicContact CB-CG 4.38Å; L568-R827 WeakPolarHBondContact CB-O 3.17Å; L568-R827 HydrophobicContact CD1-CG 4.31Å; L568-R827 PolarHBondContact N-O 3.14Å; S569-R827 PolarHBondContact N-O 3.13Å; S569-R827 PolarHBondContact O-N 3.46Å; S569-R827 WeakPolarHBondContact OG-CB 3.38Å; Q802-R827 WeakPolarHBondContact O-CA 3.48Å; T803-R827 PolarHBondContact OG1-NH1 3.09Å; R827-D1203 IonicContact CZ-OD2 2.93Å; R827-D1203 IonicContact NH1-OD2 3.47Å; R827-D1203 PolarHBondContact NH1-OD2 3.31Å; R827-D1203 PolarHBondContact NH2-O 3.06Å; R827-D1203 IonicContact NH2-OD2 2.68Å; R827-D1203 PolarHBondContact NH2-OD2 2.49Å; R827-P1205 VanDerWaalsContact NH1-CA 3.33Å |
| 828 | V | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.8 | -170.3 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | V565 A566 F567 Q802 I804 L826 V830 | V565-V828 HydrophobicContact CG1-CB 4.15Å; V565-V828 HydrophobicContact CG1-CG1 4.3Å; A566-V828 CarbonylContact O-C 3.43Å; A566-V828 WeakPolarHBondContact O-CA 3.26Å; F567-V828 HydrophobicContact CD1-CG1 3.7Å; F567-V828 HydrophobicContact CE1-CG1 4.06Å; F567-V828 HydrophobicContact CG-CG1 4.18Å; Q802-V828 HydrophobicContact CG-CG2 3.96Å; Q802-V828 PolarHBondContact N-O 2.93Å; Q802-V828 PolarHBondContact O-N 2.83Å; I804-V828 HydrophobicContact CD1-CG2 3.68Å; I804-V828 HydrophobicContact CG1-CG2 4.31Å; L826-V828 HydrophobicContact CB-CG1 4.08Å; V828-V830 HydrophobicContact CB-CG2 4.36Å; V828-V830 HydrophobicContact CG2-CG2 3.82Å |
| 829 | V | 94.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.2 | 164.4 | -172.7 | 0 | 0 | 0 | 0 | 106.9 | V565 A566 L568 G799 A801 W841 | V565-V829 CarbonylContact C-O 3.55Å; V565-V829 VanDerWaalsContact CA-O 3.31Å; V565-V829 WeakPolarHBondContact CA-O 3.49Å; A566-V829 HydrophobicContact CB-CB 4.33Å; A566-V829 PolarHBondContact N-O 3.2Å; A566-V829 PolarHBondContact O-N 2.82Å; L568-V829 HydrophobicContact CD1-CG2 3.85Å; L568-V829 HydrophobicContact CD2-CG2 4.35Å; L568-V829 HydrophobicContact CG-CG2 4.2Å; G799-V829 VanDerWaalsContact C-CG1 3.46Å; G799-V829 WeakPolarHBondContact O-CG1 3.43Å; A801-V829 HydrophobicContact CB-CG2 4.23Å; V829-W841 HydrophobicContact CB-CH2 4.39Å; V829-W841 HydrophobicContact CG1-CH2 4.23Å; V829-W841 HydrophobicContact CG1-CZ3 3.91Å |
| 830 | V | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.7 | -175.3 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | L563 V565 I764 I780 V785 G799 V828 | L563-V830 HydrophobicContact CD1-CG1 3.92Å; V565-V830 HydrophobicContact CG1-CG2 4.1Å; V565-V830 HydrophobicContact CG2-CG1 4.17Å; V565-V830 HydrophobicContact CG2-CG2 4.31Å; I764-V830 HydrophobicContact CD1-CG1 4.36Å; I780-V830 HydrophobicContact CD1-CG2 4.26Å; V785-V830 HydrophobicContact CB-CB 4.24Å; V785-V830 HydrophobicContact CB-CG1 3.78Å; V785-V830 HydrophobicContact CG1-CB 3.82Å; V785-V830 HydrophobicContact CG1-CG1 3.75Å; V785-V830 HydrophobicContact CG2-CG1 3.77Å; G799-V830 PolarHBondContact N-O 2.97Å; V828-V830 HydrophobicContact CB-CG2 4.36Å; V828-V830 HydrophobicContact CG2-CG2 3.82Å |
| 831 | W | 96.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.6 | 176 | -178.2 | 100.1 | 0 | 0 | 0 | 109.2 | Q562 L563 Y564 Y787 D837 W841 | Q562-W831 HydrophobicContact CB-CZ3 4.31Å; Q562-W831 WeakPolarHBondContact O-CZ3 3.46Å; L563-W831 CarbonylContact C-O 3.37Å; L563-W831 WeakPolarHBondContact CA-O 3.12Å; Y564-W831 AromaticContact CD2-CE3 3.78Å; Y564-W831 HydrophobicContact CD2-CE3 3.78Å; Y564-W831 HydrophobicContact CD2-CZ3 4.12Å; Y564-W831 HydrophobicContact CE2-CE3 4.48Å; Y564-W831 HydrophobicContact CE2-CZ3 4.38Å; Y564-W831 PolarHBondContact N-O 2.98Å; Y564-W831 PolarHBondContact O-N 3.18Å; Y787-W831 AromaticContact CD1-CZ2 3.89Å; Y787-W831 HydrophobicContact CD1-CZ2 3.89Å; Y787-W831 HydrophobicContact CD2-CZ2 4.27Å; Y787-W831 AromaticContact CD2-NE1 3.24Å; Y787-W831 AromaticContact CG-CE2 3.71Å; Y787-W831 AromaticContact CG-CZ2 3.64Å; Y787-W831 HydrophobicContact CG-CZ2 3.64Å; Y787-W831 AromaticContact CG-NE1 3.4Å; W831-D837 HydrophobicContact CH2-CB 4.49Å; W831-D837 HydrophobicContact CZ2-CB 4.33Å; W831-D837 WeakPolarHBondContact CZ2-O 3.42Å; W831-W841 HydrophobicContact CB-CD2 4.33Å; W831-W841 HydrophobicContact CB-CE3 3.32Å; W831-W841 HydrophobicContact CB-CZ3 3.66Å; W831-W841 HydrophobicContact CD2-CB 4.09Å; W831-W841 HydrophobicContact CE3-CB 4.48Å; W831-W841 HydrophobicContact CG-CB 4.29Å; W831-W841 AromaticContact CG-CE3 3.81Å; W831-W841 HydrophobicContact CG-CE3 3.81Å |
| 832 | F | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123 | 176.9 | 178.3 | -118 | 0 | 0 | 0 | 109.4 | Y561 Q562 L563 I587 W635 I761 I764 A782 V785 L786 Y787 | Y561-F832 AromaticContact CD1-CE1 3.94Å; Y561-F832 HydrophobicContact CD1-CE1 3.94Å; Y561-F832 AromaticContact CD1-CE2 3.95Å; Y561-F832 HydrophobicContact CD1-CE2 3.95Å; Y561-F832 AromaticContact CD1-CZ 3.57Å; Y561-F832 HydrophobicContact CD1-CZ 3.57Å; Y561-F832 HydrophobicContact CE1-CE1 4.27Å; Y561-F832 HydrophobicContact CE1-CZ 4.25Å; Y561-F832 HydrophobicContact CG-CE2 4.09Å; Y561-F832 AromaticContact CG-CZ 3.85Å; Y561-F832 HydrophobicContact CG-CZ 3.85Å; Q562-F832 WeakPolarHBondContact O-CA 3.42Å; L563-F832 HydrophobicContact CB-CD2 4.01Å; L563-F832 HydrophobicContact CD1-CB 4.11Å; L563-F832 HydrophobicContact CD1-CD2 4.42Å; I587-F832 HydrophobicContact CD1-CD2 4.33Å; I587-F832 HydrophobicContact CD1-CE1 4.36Å; I587-F832 HydrophobicContact CD1-CE2 3.69Å; I587-F832 HydrophobicContact CD1-CZ 3.71Å; W635-F832 AromaticContact CD1-CZ 3.93Å; I761-F832 HydrophobicContact CD1-CE1 4.23Å; I761-F832 HydrophobicContact CG2-CE1 3.95Å; I761-F832 HydrophobicContact CG2-CZ 3.98Å; I764-F832 HydrophobicContact CD1-CB 4.34Å; A782-F832 HydrophobicContact CB-CD1 4.22Å; A782-F832 HydrophobicContact CB-CE1 4.12Å; V785-F832 HydrophobicContact CG2-CB 4.08Å; V785-F832 PolarHBondContact O-N 2.9Å; L786-F832 CarbonylContact C-O 3.55Å; L786-F832 VanDerWaalsContact CA-O 3.28Å; L786-F832 WeakPolarHBondContact CA-O 2.96Å; L786-F832 HydrophobicContact CD1-CD1 3.67Å; L786-F832 HydrophobicContact CD1-CE1 3.93Å; Y787-F832 PolarHBondContact N-O 2.93Å |
| 833 | G | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 176 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y561 Q562 | Y561-G833 CarbonylContact C-O 3.53Å; Y561-G833 VanDerWaalsContact CA-O 3.27Å; Y561-G833 WeakPolarHBondContact CA-O 3.45Å; Y561-G833 WeakPolarHBondContact CD1-O 3.47Å; Q562-G833 PolarHBondContact N-O 2.98Å; Q562-G833 PolarHBondContact O-N 3.32Å; Q562-G833 VanDerWaalsContact O-N 3.08Å |
| 834 | L | 93.7 | Very high | 90.3 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 145.7 | 176.5 | -67.6 | 168.8 | 0 | 0 | 0 | 110.3 | R559 Y561 K836 D837 | R559-L834 HydrophobicContact CB-CD2 3.71Å; R559-L834 HydrophobicContact CG-CD2 4.45Å; Y561-L834 HydrophobicContact CD1-CD2 4.18Å; Y561-L834 HydrophobicContact CD2-CD2 4.08Å; Y561-L834 HydrophobicContact CE1-CD2 3.74Å; Y561-L834 HydrophobicContact CE1-CG 4.02Å; Y561-L834 HydrophobicContact CE2-CD2 3.63Å; Y561-L834 HydrophobicContact CG-CD2 4.33Å; Y561-L834 VanDerWaalsContact CZ-CD2 3.45Å; L834-K836 HydrophobicContact CB-CG 3.89Å; L834-K836 PolarHBondContact O-N 3.06Å; L834-K836 VanDerWaalsContact O-N 3.13Å; L834-D837 PolarHBondContact O-N 2.76Å |
| 835 | E | 89.4 | Confident | 89.4 | Confident | 49 Ų | 49 | 33.3 Ų | 33.3 | 23% | 0.229 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -56.2 | -32.6 | -179.5 | -176.5 | -174.9 | -145.1 | 0 | 0 | 112.7 | K560 Q562 D837 R838 | K560-E835 HydrophobicContact CB-CB 3.95Å; K560-E835 WeakPolarHBondContact CD-OE2 3.17Å; K560-E835 IonicContact NZ-OE2 2.65Å; K560-E835 PolarHBondContact O-N 2.81Å; Q562-E835 HydrophobicContact CG-CB 4.26Å; Q562-E835 HydrophobicContact CG-CG 4.32Å; E835-D837 PolarHBondContact O-N 2.73Å; E835-R838 WeakPolarHBondContact O-CB 3.18Å; E835-R838 WeakPolarHBondContact O-CD 3.44Å; E835-R838 VanDerWaalsContact O-CG 3.24Å; E835-R838 WeakPolarHBondContact O-CG 3.4Å; E835-R838 PolarHBondContact O-N 2.76Å |
| 836 | K | 87.6 | Confident | 88.2 | Confident | 124 Ų | 124 | 38.9 Ų | 38.9 | 54% | 0.539 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -62.7 | -26.6 | 176.1 | 57.2 | 161.5 | -166.8 | -178.4 | 0 | 113.3 | L834 | L834-K836 HydrophobicContact CB-CG 3.89Å; L834-K836 PolarHBondContact O-N 3.06Å; L834-K836 VanDerWaalsContact O-N 3.13Å |
| 837 | D | 90.6 | Very high | 87.1 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -97.4 | 7.5 | -174.2 | -52.8 | -34 | 0 | 0 | 0 | 112.1 | Y787 W831 L834 E835 T839 A840 | Y787-D837 HydrophobicContact CD1-CB 3.68Å; Y787-D837 HydrophobicContact CE1-CB 3.61Å; W831-D837 HydrophobicContact CH2-CB 4.49Å; W831-D837 HydrophobicContact CZ2-CB 4.33Å; W831-D837 WeakPolarHBondContact CZ2-O 3.42Å; L834-D837 PolarHBondContact O-N 2.76Å; E835-D837 PolarHBondContact O-N 2.73Å; D837-T839 PolarHBondContact O-N 2.7Å; D837-A840 VanDerWaalsContact O-CB 3.29Å; D837-A840 WeakPolarHBondContact O-CB 3.35Å; D837-A840 PolarHBondContact O-N 2.91Å |
| 838 | R | 85.7 | Confident | 86.5 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.9 | -22.7 | -179.6 | 71.3 | -175.4 | -173.6 | 173.7 | 6.4 | 114.5 | E835 A840 W841 T842 T1094 | E835-R838 WeakPolarHBondContact O-CB 3.18Å; E835-R838 WeakPolarHBondContact O-CD 3.44Å; E835-R838 VanDerWaalsContact O-CG 3.24Å; E835-R838 WeakPolarHBondContact O-CG 3.4Å; E835-R838 PolarHBondContact O-N 2.76Å; R838-A840 PolarHBondContact O-N 2.77Å; R838-W841 PolarHBondContact O-N 3.1Å; R838-T842 PolarHBondContact O-N 2.78Å; R838-T842 PolarHBondContact O-OG1 2.79Å; R838-T1094 PolarHBondContact NH1-O 3.45Å; R838-T1094 VanDerWaalsContact NH1-O 3.16Å; R838-T1094 PolarHBondContact NH2-OG1 2.9Å |
| 839 | T | 84.2 | Confident | 85.8 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.1 | -32.5 | 176.3 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | D837 W841 T842 E843 | D837-T839 PolarHBondContact O-N 2.7Å; T839-W841 VanDerWaalsContact C-N 3.32Å; T839-W841 PolarHBondContact O-N 2.86Å; T839-T842 PolarHBondContact O-N 2.87Å; T839-E843 WeakPolarHBondContact O-CB 3.35Å; T839-E843 WeakPolarHBondContact O-CG 3.43Å; T839-E843 PolarHBondContact O-N 3.16Å |
| 840 | A | 87.5 | Confident | 85.4 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y787 D837 R838 S844 | Y787-A840 HydrophobicContact CD2-CB 4.16Å; Y787-A840 HydrophobicContact CE1-CB 4.05Å; Y787-A840 HydrophobicContact CE2-CB 3.44Å; Y787-A840 VanDerWaalsContact CE2-CB 3.44Å; Y787-A840 WeakPolarHBondContact OH-CB 3.49Å; D837-A840 VanDerWaalsContact O-CB 3.29Å; D837-A840 WeakPolarHBondContact O-CB 3.35Å; D837-A840 PolarHBondContact O-N 2.91Å; R838-A840 PolarHBondContact O-N 2.77Å; A840-S844 WeakPolarHBondContact O-CB 3.44Å; A840-S844 PolarHBondContact O-N 2.86Å; A840-S844 VanDerWaalsContact O-N 3.09Å; A840-S844 PolarHBondContact O-OG 3.21Å |
| 841 | W | 86.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 171.4 | 167.9 | -99.5 | 0 | 0 | 0 | 112.2 | Y564 A566 V829 W831 R838 T839 S844 H845 | Y564-W841 AromaticContact CD1-CD1 3.88Å; Y564-W841 HydrophobicContact CD1-CD2 4.48Å; Y564-W841 AromaticContact CD1-CE2 3.98Å; Y564-W841 HydrophobicContact CD1-CG 4.43Å; Y564-W841 AromaticContact CD1-NE1 3.57Å; Y564-W841 HydrophobicContact CD2-CB 4.44Å; Y564-W841 HydrophobicContact CD2-CD2 4.37Å; Y564-W841 HydrophobicContact CD2-CG 4.04Å; Y564-W841 AromaticContact CG-CD1 3.88Å; Y564-W841 AromaticContact CG-CD2 3.95Å; Y564-W841 HydrophobicContact CG-CD2 3.95Å; Y564-W841 AromaticContact CG-CE2 3.86Å; Y564-W841 AromaticContact CG-CG 3.99Å; Y564-W841 HydrophobicContact CG-CG 3.99Å; Y564-W841 HydrophobicContact CG-CZ2 4.45Å; Y564-W841 AromaticContact CG-NE1 3.8Å; A566-W841 HydrophobicContact CB-CH2 3.94Å; A566-W841 HydrophobicContact CB-CZ2 4.24Å; V829-W841 HydrophobicContact CB-CH2 4.39Å; V829-W841 HydrophobicContact CG1-CH2 4.23Å; V829-W841 HydrophobicContact CG1-CZ3 3.91Å; W831-W841 HydrophobicContact CB-CD2 4.33Å; W831-W841 HydrophobicContact CB-CE3 3.32Å; W831-W841 HydrophobicContact CB-CZ3 3.66Å; W831-W841 HydrophobicContact CD2-CB 4.09Å; W831-W841 HydrophobicContact CE3-CB 4.48Å; W831-W841 HydrophobicContact CG-CB 4.29Å; W831-W841 AromaticContact CG-CE3 3.81Å; W831-W841 HydrophobicContact CG-CE3 3.81Å; R838-W841 PolarHBondContact O-N 3.1Å; T839-W841 VanDerWaalsContact C-N 3.32Å; T839-W841 PolarHBondContact O-N 2.86Å; W841-S844 PolarHBondContact O-OG 3.32Å; W841-H845 AromaticContact CD2-CE1 3.79Å; W841-H845 AromaticContact CD2-ND1 3.88Å; W841-H845 AromaticContact CE2-CE1 3.95Å; W841-H845 AromaticContact CE2-ND1 3.95Å; W841-H845 AromaticContact CE3-CE1 3.35Å; W841-H845 AromaticContact CE3-ND1 3.89Å; W841-H845 AromaticContact CH2-CE1 3.38Å; W841-H845 WeakPolarHBondContact CH2-CE1 3.35Å; W841-H845 AromaticContact CH2-NE2 3.66Å; W841-H845 AromaticContact CZ2-CE1 3.77Å; W841-H845 AromaticContact CZ3-CE1 3.16Å; W841-H845 WeakPolarHBondContact CZ3-CE1 3.34Å; W841-H845 AromaticContact CZ3-NE2 3.78Å; W841-H845 PolarHBondContact O-ND1 2.95Å |
| 842 | T | 78.5 | Confident | 84.6 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 53% | 0.534 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.3 | -38.9 | -176.1 | -50.4 | 0 | 0 | 0 | 0 | 111 | R838 T839 | R838-T842 PolarHBondContact O-N 2.78Å; R838-T842 PolarHBondContact O-OG1 2.79Å; T839-T842 PolarHBondContact O-N 2.87Å |
| 843 | E | 79.3 | Confident | 84.3 | Confident | 128 Ų | 128 | 52.4 Ų | 52.4 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -74.9 | -26.1 | 179.2 | -70.7 | 173 | -174.2 | 0 | 0 | 113 | T839 H845 N846 | T839-E843 WeakPolarHBondContact O-CB 3.35Å; T839-E843 WeakPolarHBondContact O-CG 3.43Å; T839-E843 PolarHBondContact O-N 3.16Å; E843-H845 VanDerWaalsContact C-N 3.25Å; E843-H845 PolarHBondContact O-N 3Å; E843-N846 PolarHBondContact O-ND2 3.19Å; E843-N846 PolarHBondContact O-OD1 2.78Å |
| 844 | S | 77.5 | Confident | 84.1 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 46% | 0.462 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.7 | -16.5 | 176.9 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | A840 W841 | A840-S844 WeakPolarHBondContact O-CB 3.44Å; A840-S844 PolarHBondContact O-N 2.86Å; A840-S844 VanDerWaalsContact O-N 3.09Å; A840-S844 PolarHBondContact O-OG 3.21Å; W841-S844 PolarHBondContact O-OG 3.32Å |
| 845 | H | 76.1 | Confident | 84 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 47.1 | -176.1 | -60.6 | 86.3 | 0 | 0 | 0 | 113.6 | W841 E843 E847 A848 M1127 | W841-H845 AromaticContact CD2-CE1 3.79Å; W841-H845 AromaticContact CD2-ND1 3.88Å; W841-H845 AromaticContact CE2-CE1 3.95Å; W841-H845 AromaticContact CE2-ND1 3.95Å; W841-H845 AromaticContact CE3-CE1 3.35Å; W841-H845 AromaticContact CE3-ND1 3.89Å; W841-H845 AromaticContact CH2-CE1 3.38Å; W841-H845 WeakPolarHBondContact CH2-CE1 3.35Å; W841-H845 AromaticContact CH2-NE2 3.66Å; W841-H845 AromaticContact CZ2-CE1 3.77Å; W841-H845 AromaticContact CZ3-CE1 3.16Å; W841-H845 WeakPolarHBondContact CZ3-CE1 3.34Å; W841-H845 AromaticContact CZ3-NE2 3.78Å; W841-H845 PolarHBondContact O-ND1 2.95Å; E843-H845 VanDerWaalsContact C-N 3.25Å; E843-H845 PolarHBondContact O-N 3Å; H845-E847 PolarHBondContact O-N 2.91Å; H845-A848 PolarHBondContact O-N 2.91Å; H845-M1127 HydrophobicContact CB-CE 3.41Å; H845-M1127 VanDerWaalsContact CB-CE 3.41Å |
| 846 | N | 69.3 | Low | 84.1 | Confident | 129 Ų | 129 | 50.3 Ų | 50.3 | 69% | 0.69 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.9 | -176.8 | -69.8 | -42.7 | 0 | 0 | 0 | 115.4 | E843 | E843-N846 PolarHBondContact O-ND2 3.19Å; E843-N846 PolarHBondContact O-OD1 2.78Å |
| 847 | E | 73.1 | Confident | 84.3 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -21.1 | 179.1 | 59.2 | -169.3 | -156.2 | 0 | 0 | 114.6 | H845 F1129 R1130 G1195 D1196 | H845-E847 PolarHBondContact O-N 2.91Å; E847-F1129 HydrophobicContact CG-CD1 4.15Å; E847-F1129 HydrophobicContact CG-CE1 4.01Å; E847-R1130 PolarHBondContact O-N 3.35Å; E847-R1130 VanDerWaalsContact O-N 3.16Å; E847-G1195 WeakPolarHBondContact OE1-CA 3.26Å; E847-D1196 WeakPolarHBondContact OE2-CA 3.28Å; E847-D1196 WeakPolarHBondContact OE2-CB 3.1Å; E847-D1196 PolarHBondContact OE2-N 2.95Å |
| 848 | A | 81.7 | Confident | 84.4 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | H845 M1127 R1128 F1129 | H845-A848 PolarHBondContact O-N 2.91Å; A848-M1127 HydrophobicContact CB-CB 4.34Å; A848-M1127 HydrophobicContact CB-CE 3.59Å; A848-R1128 CarbonylContact C-O 3.56Å; A848-R1128 VanDerWaalsContact CA-O 3.32Å; A848-R1128 WeakPolarHBondContact CA-O 3.36Å; A848-F1129 HydrophobicContact CB-CD1 3.92Å; A848-F1129 HydrophobicContact CB-CD2 4.2Å; A848-F1129 HydrophobicContact CB-CE1 3.92Å; A848-F1129 HydrophobicContact CB-CE2 4.17Å; A848-F1129 HydrophobicContact CB-CG 4.07Å; A848-F1129 HydrophobicContact CB-CZ 4.04Å |
| 849 | K | 82.5 | Confident | 84.8 | Confident | 138 Ų | 138 | 42.1 Ų | 42.1 | 60% | 0.6 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.2 | 171.5 | -172.2 | 179.2 | 178.1 | -177.7 | 0 | 108.7 | Q851 R1128 | K849-Q851 PolarHBondContact O-N 2.89Å; K849-R1128 PolarHBondContact N-O 3.45Å; K849-R1128 PolarHBondContact O-N 2.95Å |
| 850 | L | 84.8 | Confident | 85.1 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 119 | 170.5 | -164.6 | 139.4 | 0 | 0 | 0 | 109.1 | Y564 V852 I1125 M1127 | Y564-L850 HydrophobicContact CE1-CD1 4.38Å; L850-V852 HydrophobicContact CD2-CG2 3.64Å; L850-I1125 HydrophobicContact CD1-CG2 4.09Å; L850-I1125 HydrophobicContact CD2-CG2 3.75Å; L850-I1125 HydrophobicContact CG-CG2 3.74Å; L850-M1127 HydrophobicContact CB-SD 4.02Å; L850-M1127 HydrophobicContact CD1-SD 4.03Å; L850-M1127 HydrophobicContact CG-SD 4.23Å |
| 851 | Q | 86.3 | Confident | 85.2 | Confident | 42 Ų | 42 | 38.8 Ų | 38.8 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.4 | -179 | -171.6 | 177.3 | 10 | 0 | 0 | 109.1 | K849 V853 I1125 F1126 | K849-Q851 PolarHBondContact O-N 2.89Å; Q851-V853 HydrophobicContact CG-CG1 3.98Å; Q851-I1125 WeakPolarHBondContact O-CA 3.3Å; Q851-F1126 PolarHBondContact N-O 3.43Å; Q851-F1126 PolarHBondContact O-N 3.37Å |
| 852 | V | 89.3 | Confident | 85.2 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127.6 | 176.2 | -170.8 | 0 | 0 | 0 | 0 | 108.5 | L850 W899 A1084 L1085 P1123 I1125 | L850-V852 HydrophobicContact CD2-CG2 3.64Å; V852-W899 HydrophobicContact CB-CH2 4.43Å; V852-W899 HydrophobicContact CB-CZ3 4.12Å; V852-W899 HydrophobicContact CG1-CH2 4.49Å; V852-W899 HydrophobicContact CG1-CZ3 4.33Å; V852-W899 HydrophobicContact CG2-CH2 3.99Å; V852-W899 HydrophobicContact CG2-CZ3 4.09Å; V852-A1084 WeakPolarHBondContact O-CA 3.5Å; V852-L1085 HydrophobicContact CB-CD1 4.23Å; V852-L1085 HydrophobicContact CB-CG 4.16Å; V852-L1085 HydrophobicContact CG1-CD1 3.56Å; V852-L1085 HydrophobicContact CG1-CG 3.88Å; V852-L1085 PolarHBondContact O-N 3.07Å; V852-P1123 HydrophobicContact CG1-CB 3.55Å; V852-P1123 HydrophobicContact CG1-CG 3.62Å; V852-I1125 HydrophobicContact CG1-CG1 4.48Å; V852-I1125 HydrophobicContact CG2-CG1 4.43Å |
| 853 | V | 90.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 136.9 | -178.5 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | Q851 H1082 R1083 A1084 P1123 R1124 F1126 | Q851-V853 HydrophobicContact CG-CG1 3.98Å; V853-H1082 HydrophobicContact CB-CB 4.42Å; V853-R1083 CarbonylContact C-O 3.5Å; V853-R1083 VanDerWaalsContact CA-O 3.31Å; V853-R1083 WeakPolarHBondContact CA-O 3.46Å; V853-A1084 HydrophobicContact CG1-CB 4.36Å; V853-P1123 CarbonylContact O-C 3.57Å; V853-P1123 VanDerWaalsContact O-CA 3.31Å; V853-P1123 WeakPolarHBondContact O-CA 3.47Å; V853-P1123 VanDerWaalsContact O-CB 3.24Å; V853-P1123 WeakPolarHBondContact O-CB 3.46Å; V853-R1124 HydrophobicContact CG2-CB 3.81Å; V853-R1124 PolarHBondContact N-O 2.83Å; V853-R1124 PolarHBondContact O-N 2.79Å; V853-F1126 HydrophobicContact CG2-CD2 4.09Å; V853-F1126 HydrophobicContact CG2-CE2 3.8Å |
| 854 | A | 91.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 138.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | I893 W901 W905 H1082 R1083 L1085 L1099 | A854-I893 HydrophobicContact CB-CD1 4.39Å; A854-W901 HydrophobicContact CB-CH2 3.61Å; A854-W901 HydrophobicContact CB-CZ3 3.68Å; A854-W905 HydrophobicContact CB-CH2 3.88Å; A854-W905 HydrophobicContact CB-CZ3 4.48Å; A854-W905 WeakPolarHBondContact O-CZ3 3.47Å; A854-H1082 CarbonylContact O-C 3.38Å; A854-H1082 VanDerWaalsContact O-CA 3.29Å; A854-H1082 WeakPolarHBondContact O-CA 3.4Å; A854-R1083 PolarHBondContact N-O 2.75Å; A854-R1083 PolarHBondContact O-N 3.2Å; A854-L1085 HydrophobicContact CB-CD2 3.89Å; A854-L1085 VanDerWaalsContact N-CD2 3.3Å; A854-L1099 HydrophobicContact CB-CD1 3.75Å |
| 855 | E | 91.9 | Very high | 84.8 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.2 | -178.1 | 177.6 | 172.9 | 88.2 | 0 | 0 | 110.1 | Y857 L888 R1080 W1081 H1082 R1124 | E855-Y857 HydrophobicContact CG-CD2 4.42Å; E855-Y857 HydrophobicContact CG-CE2 3.71Å; E855-L888 VanDerWaalsContact O-CD2 3.22Å; E855-L888 WeakPolarHBondContact O-CD2 3.24Å; E855-R1080 HydrophobicContact CG-CG 4.32Å; E855-R1080 WeakPolarHBondContact OE2-CD 3.27Å; E855-R1080 IonicContact OE2-NE 2.68Å; E855-W1081 WeakPolarHBondContact CA-O 3.3Å; E855-H1082 IonicContact OE2-CD2 3.1Å; E855-H1082 IonicContact OE2-CE1 2.76Å; E855-H1082 IonicContact OE2-NE2 3.94Å; E855-H1082 PolarHBondContact OE2-NE2 3.48Å; E855-R1124 HydrophobicContact CB-CG 4.23Å; E855-R1124 IonicContact OE1-NE 3.16Å; E855-R1124 PolarHBondContact OE1-NE 3.04Å; E855-R1124 IonicContact OE1-NH2 2.79Å |
| 856 | T | 92.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 156.4 | 169.5 | -175 | 0 | 0 | 0 | 0 | 110.5 | W879 S880 L888 K890 W905 W1081 | T856-W879 HydrophobicContact CG2-CE3 3.82Å; T856-W879 HydrophobicContact CG2-CZ3 3.95Å; T856-S880 CarbonylContact C-O 3.48Å; T856-S880 WeakPolarHBondContact CA-O 3.31Å; T856-S880 PolarHBondContact OG1-O 3.36Å; T856-L888 PolarHBondContact OG1-O 2.93Å; T856-K890 HydrophobicContact CG2-CG 3.78Å; T856-W905 HydrophobicContact CG2-CE3 4.27Å; T856-W905 HydrophobicContact CG2-CH2 3.83Å; T856-W905 HydrophobicContact CG2-CZ3 3.68Å; T856-W1081 HydrophobicContact CG2-CB 3.96Å; T856-W1081 PolarHBondContact N-O 2.98Å; T856-W1081 PolarHBondContact O-N 3.26Å |
| 857 | Y | 91.5 | Very high | 86 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.7 | -179.3 | -68.5 | -101.6 | 0 | 0 | 0 | 109.9 | E855 W879 S880 N882 R1078 R1079 R1080 | E855-Y857 HydrophobicContact CG-CD2 4.42Å; E855-Y857 HydrophobicContact CG-CE2 3.71Å; Y857-W879 CarbonylContact O-C 3.58Å; Y857-W879 WeakPolarHBondContact O-CA 3.46Å; Y857-S880 PolarHBondContact N-O 2.97Å; Y857-S880 PolarHBondContact O-N 3.12Å; Y857-N882 HydrophobicContact CD2-CB 4.32Å; Y857-N882 HydrophobicContact CE2-CB 3.52Å; Y857-R1078 HydrophobicContact CD1-CG 4.14Å; Y857-R1079 WeakPolarHBondContact CA-O 3.36Å; Y857-R1080 HydrophobicContact CD1-CB 3.96Å; Y857-R1080 HydrophobicContact CD1-CG 4.19Å; Y857-R1080 HydrophobicContact CE1-CB 3.61Å; Y857-R1080 HydrophobicContact CE1-CG 3.57Å; Y857-R1080 HydrophobicContact CE2-CG 4.15Å; Y857-R1080 VanDerWaalsContact CZ-CD 3.47Å; Y857-R1080 WeakPolarHBondContact OH-CD 3.42Å |
| 858 | E | 92.2 | Very high | 86.6 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.5 | 171.1 | -176 | -175.4 | 176.4 | 0 | 0 | 109.3 | S878 W879 W1056 R1078 R1079 W1081 | E858-S878 CarbonylContact C-O 3.59Å; E858-S878 WeakPolarHBondContact CA-O 3.42Å; E858-W879 HydrophobicContact CB-CD2 4.33Å; E858-W879 HydrophobicContact CB-CE3 3.99Å; E858-W879 HydrophobicContact CB-CH2 3.66Å; E858-W879 HydrophobicContact CB-CZ2 4.04Å; E858-W879 HydrophobicContact CB-CZ3 3.66Å; E858-W879 HydrophobicContact CG-CD2 4.48Å; E858-W879 HydrophobicContact CG-CH2 3.83Å; E858-W879 HydrophobicContact CG-CZ2 3.72Å; E858-W879 HydrophobicContact CG-CZ3 4.29Å; E858-W1056 HydrophobicContact CB-CH2 4.48Å; E858-W1056 HydrophobicContact CG-CH2 3.92Å; E858-W1056 HydrophobicContact CG-CZ3 4.49Å; E858-W1056 WeakPolarHBondContact O-CZ3 3.2Å; E858-R1078 CarbonylContact O-C 3.45Å; E858-R1078 WeakPolarHBondContact O-CA 3.46Å; E858-R1079 HydrophobicContact CB-CB 4.38Å; E858-R1079 VanDerWaalsContact CD-NH2 3.33Å; E858-R1079 PolarHBondContact N-O 2.86Å; E858-R1079 PolarHBondContact O-N 2.87Å; E858-R1079 IonicContact OE1-NH2 3.22Å; E858-R1079 PolarHBondContact OE1-NH2 2.8Å; E858-R1079 IonicContact OE2-CZ 3.86Å; E858-R1079 VanDerWaalsContact OE2-CZ 3.23Å; E858-R1079 IonicContact OE2-NE 2.84Å; E858-R1079 PolarHBondContact OE2-NE 3.1Å; E858-R1079 IonicContact OE2-NH2 2.77Å; E858-R1079 PolarHBondContact OE2-NH2 3.07Å; E858-W1081 PolarHBondContact OE2-NE1 2.92Å |
| 859 | N | 93.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.3 | -170.6 | -65 | -35.9 | 0 | 0 | 0 | 112.3 | L874 P877 S878 S880 F1062 R1078 | N859-L874 HydrophobicContact CB-CD1 4.15Å; N859-L874 HydrophobicContact CB-CD2 4.39Å; N859-P877 WeakPolarHBondContact CB-O 3.37Å; N859-P877 PolarHBondContact ND2-O 3.15Å; N859-S878 PolarHBondContact N-O 2.97Å; N859-S880 VanDerWaalsContact ND2-CB 3.34Å; N859-S880 WeakPolarHBondContact ND2-CB 3.36Å; N859-S880 PolarHBondContact ND2-OG 2.8Å; N859-F1062 HydrophobicContact CB-CE1 4.04Å; N859-F1062 HydrophobicContact CB-CZ 3.82Å; N859-F1062 WeakPolarHBondContact OD1-CE1 3.31Å; N859-R1078 VanDerWaalsContact OD1-CB 3.28Å; N859-R1078 WeakPolarHBondContact OD1-CB 3.33Å |
| 860 | Q | 91.8 | Very high | 86.5 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.4 | 175.2 | -63.5 | -176.4 | -7.3 | 0 | 0 | 110.6 | W867 V868 T869 W1056 V1076 R1077 | Q860-W867 HydrophobicContact CB-CB 4.36Å; Q860-W867 HydrophobicContact CB-CE3 4.26Å; Q860-V868 WeakPolarHBondContact CA-O 3.46Å; Q860-T869 HydrophobicContact CG-CG2 3.68Å; Q860-W1056 VanDerWaalsContact CD-CH2 3.41Å; Q860-W1056 HydrophobicContact CG-CH2 3.82Å; Q860-W1056 HydrophobicContact CG-CZ3 4.16Å; Q860-V1076 WeakPolarHBondContact O-CA 3.24Å; Q860-R1077 HydrophobicContact CB-CG 3.87Å; Q860-R1077 PolarHBondContact N-O 3.11Å; Q860-R1077 PolarHBondContact O-N 3.29Å |
| 861 | A | 89.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V868 P873 L874 M1075 | A861-V868 PolarHBondContact N-O 2.77Å; A861-V868 VanDerWaalsContact O-CG2 3.27Å; A861-V868 WeakPolarHBondContact O-CG2 3.46Å; A861-V868 PolarHBondContact O-N 2.82Å; A861-P873 HydrophobicContact CB-CB 4.19Å; A861-L874 HydrophobicContact CB-CB 4.12Å; A861-L874 HydrophobicContact CB-CD1 3.86Å; A861-M1075 CarbonylContact C-O 3.42Å; A861-M1075 WeakPolarHBondContact CA-O 3.15Å |
| 862 | S | 85.9 | Confident | 84.4 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.2 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 110 | M1075 | S862-M1075 PolarHBondContact N-O 2.92Å |
| 863 | I | 80.6 | Confident | 83.4 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122 | 165.3 | -79.5 | -164.4 | 0 | 0 | 0 | 107.4 | G865 N866 V868 P873 | I863-G865 PolarHBondContact O-N 3.26Å; I863-G865 VanDerWaalsContact O-N 3.14Å; I863-N866 PolarHBondContact N-O 2.77Å; I863-N866 PolarHBondContact O-N 2.8Å; I863-V868 HydrophobicContact CB-CG2 4.36Å; I863-V868 HydrophobicContact CG1-CG2 4.23Å; I863-P873 HydrophobicContact CD1-CB 3.41Å; I863-P873 VanDerWaalsContact CD1-CB 3.41Å; I863-P873 HydrophobicContact CD1-CG 3.28Å; I863-P873 HydrophobicContact CG1-CB 3.46Å; I863-P873 VanDerWaalsContact CG1-CB 3.46Å; I863-P873 HydrophobicContact CG1-CG 3.71Å |
| 864 | V | 74.5 | Confident | 82.8 | Confident | 139 Ų | 139 | 54.1 Ų | 54.1 | 84% | 0.842 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 43.1 | 172.8 | -166.3 | 0 | 0 | 0 | 0 | 110.8 | N866 | V864-N866 PolarHBondContact O-N 3.12Å; V864-N866 PolarHBondContact O-ND2 3.44Å |
| 865 | G | 71.6 | Confident | 82.2 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -0.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | I863 | I863-G865 PolarHBondContact O-N 3.26Å; I863-G865 VanDerWaalsContact O-N 3.14Å |
| 866 | N | 82.7 | Confident | 81.8 | Confident | 112 Ų | 112 | 60 Ų | 60 | 60% | 0.599 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130 | 177.6 | -66.1 | -63.8 | 0 | 0 | 0 | 111 | I863 V864 | I863-N866 PolarHBondContact N-O 2.77Å; I863-N866 PolarHBondContact O-N 2.8Å; V864-N866 PolarHBondContact O-N 3.12Å; V864-N866 PolarHBondContact O-ND2 3.44Å |
| 867 | W | 87.2 | Confident | 81.6 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 17% | 0.17 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 120.4 | 177.2 | -65 | 104 | 0 | 0 | 0 | 111.4 | Q860 Y1058 E1070 D1074 V1076 R1077 | Q860-W867 HydrophobicContact CB-CB 4.36Å; Q860-W867 HydrophobicContact CB-CE3 4.26Å; W867-Y1058 AromaticContact CH2-CD1 3.99Å; W867-Y1058 HydrophobicContact CH2-CD1 3.99Å; W867-Y1058 HydrophobicContact CH2-CE1 4.42Å; W867-Y1058 AromaticContact CZ2-CD1 3.69Å; W867-Y1058 HydrophobicContact CZ2-CD1 3.69Å; W867-Y1058 AromaticContact CZ2-CE1 3.75Å; W867-Y1058 HydrophobicContact CZ2-CE1 3.75Å; W867-E1070 HydrophobicContact CZ2-CG 4.17Å; W867-E1070 VanDerWaalsContact CZ2-OE1 3.29Å; W867-E1070 WeakPolarHBondContact CZ2-OE1 3.45Å; W867-E1070 PolarHBondContact NE1-OE1 2.87Å; W867-D1074 HydrophobicContact CH2-CB 4.18Å; W867-V1076 VanDerWaalsContact CZ3-C 3.49Å; W867-R1077 VanDerWaalsContact CB-NH2 3.33Å; W867-R1077 VanDerWaalsContact CD1-NH1 3.31Å; W867-R1077 HydrophobicContact CD2-CG 3.93Å; W867-R1077 HydrophobicContact CE3-CB 4.32Å; W867-R1077 HydrophobicContact CE3-CG 3.58Å; W867-R1077 HydrophobicContact CH2-CB 4.08Å; W867-R1077 HydrophobicContact CH2-CG 4.2Å; W867-R1077 HydrophobicContact CZ3-CB 3.95Å; W867-R1077 HydrophobicContact CZ3-CG 3.73Å |
| 868 | V | 86.8 | Confident | 81.5 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.9 | -176 | -66.5 | 0 | 0 | 0 | 0 | 112 | Q860 A861 I863 P873 | Q860-V868 WeakPolarHBondContact CA-O 3.46Å; A861-V868 PolarHBondContact N-O 2.77Å; A861-V868 VanDerWaalsContact O-CG2 3.27Å; A861-V868 WeakPolarHBondContact O-CG2 3.46Å; A861-V868 PolarHBondContact O-N 2.82Å; I863-V868 HydrophobicContact CB-CG2 4.36Å; I863-V868 HydrophobicContact CG1-CG2 4.23Å; V868-P873 HydrophobicContact CG2-CB 4.45Å; V868-P873 HydrophobicContact CG2-CG 3.58Å |
| 869 | T | 83.3 | Confident | 81.4 | Confident | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | trans | -94.8 | -11.7 | 178.2 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | Q860 L874 | Q860-T869 HydrophobicContact CG-CG2 3.68Å; T869-L874 WeakPolarHBondContact O-CD2 3.36Å | ||
| 870 | K | 79 | Confident | 81.2 | Confident | 165 Ų | 165 | 63 Ų | 63 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -91.1 | 143.6 | -174.3 | -66.3 | -175.6 | -179.5 | 179.3 | 0 | 111.5 | P873 | K870-P873 VanDerWaalsContact O-CD 3.32Å; K870-P873 WeakPolarHBondContact O-CD 3.43Å; K870-P873 WeakPolarHBondContact O-CG 3.3Å |
| 871 | R | 66.4 | Low | 80.9 | Confident | 167 Ų | 167 | 63 Ų | 63 | 63% | 0.63 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 150.3 | 160.5 | -64.4 | -170.3 | -179.5 | 175.4 | 4.9 | 109.4 | ||
| 872 | P | 60.9 | Low | 80.4 | Confident | 120 Ų | 120 | 64 Ų | 64 | 78% | 0.779 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -82.8 | -26 | 11.3 | 29.9 | -32.8 | 0 | 0 | 0 | 119.6 | L874 | P872-L874 VanDerWaalsContact C-N 3.28Å; P872-L874 PolarHBondContact O-N 3.12Å |
| 873 | P | 67.3 | Low | 80 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 26% | 0.26 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -35.8 | -172 | 23.3 | -35.8 | 0 | 0 | 0 | 113.9 | A861 I863 V868 K870 T875 | A861-P873 HydrophobicContact CB-CB 4.19Å; I863-P873 HydrophobicContact CD1-CB 3.41Å; I863-P873 VanDerWaalsContact CD1-CB 3.41Å; I863-P873 HydrophobicContact CD1-CG 3.28Å; I863-P873 HydrophobicContact CG1-CB 3.46Å; I863-P873 VanDerWaalsContact CG1-CB 3.46Å; I863-P873 HydrophobicContact CG1-CG 3.71Å; V868-P873 HydrophobicContact CG2-CB 4.45Å; V868-P873 HydrophobicContact CG2-CG 3.58Å; K870-P873 VanDerWaalsContact O-CD 3.32Å; K870-P873 WeakPolarHBondContact O-CD 3.43Å; K870-P873 WeakPolarHBondContact O-CG 3.3Å; P873-T875 PolarHBondContact O-N 2.79Å; P873-T875 VanDerWaalsContact O-N 3.08Å |
| 874 | L | 78.6 | Confident | 79.8 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | trans | -74.3 | 101.1 | 175.1 | -170.1 | 72.9 | 0 | 0 | 0 | 108.9 | N859 A861 T869 P872 R876 F1062 | N859-L874 HydrophobicContact CB-CD1 4.15Å; N859-L874 HydrophobicContact CB-CD2 4.39Å; A861-L874 HydrophobicContact CB-CB 4.12Å; A861-L874 HydrophobicContact CB-CD1 3.86Å; T869-L874 WeakPolarHBondContact O-CD2 3.36Å; P872-L874 VanDerWaalsContact C-N 3.28Å; P872-L874 PolarHBondContact O-N 3.12Å; L874-R876 VanDerWaalsContact CD2-O 3.23Å; L874-R876 WeakPolarHBondContact CD2-O 3.32Å; L874-R876 WeakPolarHBondContact CG-O 3.37Å; L874-R876 PolarHBondContact O-N 3.32Å; L874-F1062 HydrophobicContact CD1-CE2 3.9Å; L874-F1062 HydrophobicContact CD1-CZ 3.85Å | ||
| 875 | T | 78.8 | Confident | 80.1 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -72.7 | -9 | 178.7 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | P873 | P873-T875 PolarHBondContact O-N 2.79Å; P873-T875 VanDerWaalsContact O-N 3.08Å |
| 876 | R | 84.2 | Confident | 80.5 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -114.1 | 165.7 | 177.5 | -64.4 | -48.8 | -170.7 | -110.4 | -4.4 | 110.8 | L874 G884 F1062 D1063 | L874-R876 VanDerWaalsContact CD2-O 3.23Å; L874-R876 WeakPolarHBondContact CD2-O 3.32Å; L874-R876 WeakPolarHBondContact CG-O 3.37Å; L874-R876 PolarHBondContact O-N 3.32Å; R876-G884 WeakPolarHBondContact CB-O 3.34Å; R876-G884 WeakPolarHBondContact CD-O 3.14Å; R876-G884 VanDerWaalsContact CG-O 3.29Å; R876-G884 WeakPolarHBondContact CG-O 3.23Å; R876-F1062 HydrophobicContact CB-CD2 4.07Å; R876-F1062 HydrophobicContact CB-CE1 4.41Å; R876-F1062 HydrophobicContact CB-CE2 3.81Å; R876-F1062 HydrophobicContact CB-CG 4.49Å; R876-F1062 HydrophobicContact CB-CZ 4.02Å; R876-F1062 HydrophobicContact CG-CB 4.22Å; R876-F1062 HydrophobicContact CG-CD1 4.05Å; R876-F1062 HydrophobicContact CG-CD2 3.32Å; R876-F1062 HydrophobicContact CG-CE1 4.3Å; R876-F1062 HydrophobicContact CG-CE2 3.61Å; R876-F1062 HydrophobicContact CG-CG 3.58Å; R876-F1062 HydrophobicContact CG-CZ 4.12Å; R876-D1063 IonicContact NH2-OD1 2.86Å; R876-D1063 PolarHBondContact NH2-OD1 2.88Å; R876-D1063 IonicContact NH2-OD2 2.63Å; R876-D1063 PolarHBondContact NH2-OD2 3.14Å |
| 877 | P | 87 | Confident | 80.7 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | trans | -61.6 | 149.4 | 169.3 | -23 | 36.4 | 0 | 0 | 0 | 111.6 | N859 W879 G884 E887 | N859-P877 WeakPolarHBondContact CB-O 3.37Å; N859-P877 PolarHBondContact ND2-O 3.15Å; P877-W879 WeakPolarHBondContact CB-O 3.26Å; P877-W879 PolarHBondContact O-N 3.11Å; P877-G884 VanDerWaalsContact CD-O 3.27Å; P877-G884 WeakPolarHBondContact CD-O 3.33Å; P877-E887 HydrophobicContact CB-CB 3.65Å; P877-E887 HydrophobicContact CB-CG 3.85Å; P877-E887 HydrophobicContact CG-CB 3.71Å; P877-E887 HydrophobicContact CG-CG 4.44Å | ||
| 878 | S | 89.1 | Confident | 80.7 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 25% | 0.245 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -66.5 | -20.2 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | E858 N859 | E858-S878 CarbonylContact C-O 3.59Å; E858-S878 WeakPolarHBondContact CA-O 3.42Å; N859-S878 PolarHBondContact N-O 2.97Å |
| 879 | W | 91 | Very high | 80.7 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.4 | 170.5 | -70.4 | 91.1 | 0 | 0 | 0 | 107.7 | T856 Y857 E858 P877 E887 L888 P889 K890 W1081 | T856-W879 HydrophobicContact CG2-CE3 3.82Å; T856-W879 HydrophobicContact CG2-CZ3 3.95Å; Y857-W879 CarbonylContact O-C 3.58Å; Y857-W879 WeakPolarHBondContact O-CA 3.46Å; E858-W879 HydrophobicContact CB-CD2 4.33Å; E858-W879 HydrophobicContact CB-CE3 3.99Å; E858-W879 HydrophobicContact CB-CH2 3.66Å; E858-W879 HydrophobicContact CB-CZ2 4.04Å; E858-W879 HydrophobicContact CB-CZ3 3.66Å; E858-W879 HydrophobicContact CG-CD2 4.48Å; E858-W879 HydrophobicContact CG-CH2 3.83Å; E858-W879 HydrophobicContact CG-CZ2 3.72Å; E858-W879 HydrophobicContact CG-CZ3 4.29Å; P877-W879 WeakPolarHBondContact CB-O 3.26Å; P877-W879 PolarHBondContact O-N 3.11Å; W879-E887 CarbonylContact O-C 3.59Å; W879-E887 WeakPolarHBondContact O-CA 3.39Å; W879-L888 PolarHBondContact O-N 3.09Å; W879-P889 HydrophobicContact CB-CB 4.44Å; W879-P889 HydrophobicContact CB-CG 4.44Å; W879-K890 HydrophobicContact CE3-CD 4.41Å; W879-K890 HydrophobicContact CE3-CG 3.9Å; W879-K890 HydrophobicContact CH2-CD 3.64Å; W879-K890 HydrophobicContact CH2-CG 4.01Å; W879-K890 HydrophobicContact CZ2-CD 4.45Å; W879-K890 HydrophobicContact CZ3-CD 3.59Å; W879-K890 HydrophobicContact CZ3-CG 3.55Å; W879-W1081 AromaticContact CH2-CD1 3.89Å; W879-W1081 HydrophobicContact CH2-CG 4.45Å; W879-W1081 AromaticContact CH2-NE1 3.61Å; W879-W1081 AromaticContact CZ3-CD1 3.49Å; W879-W1081 VanDerWaalsContact CZ3-CD1 3.49Å; W879-W1081 HydrophobicContact CZ3-CG 4.02Å; W879-W1081 AromaticContact CZ3-NE1 3.73Å |
| 880 | S | 89.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 173.6 | -174.6 | 73.1 | 0 | 0 | 0 | 0 | 115.1 | T856 Y857 N859 G884 I886 | T856-S880 CarbonylContact C-O 3.48Å; T856-S880 WeakPolarHBondContact CA-O 3.31Å; T856-S880 PolarHBondContact OG1-O 3.36Å; Y857-S880 PolarHBondContact N-O 2.97Å; Y857-S880 PolarHBondContact O-N 3.12Å; N859-S880 VanDerWaalsContact ND2-CB 3.34Å; N859-S880 WeakPolarHBondContact ND2-CB 3.36Å; N859-S880 PolarHBondContact ND2-OG 2.8Å; S880-G884 VanDerWaalsContact OG-CA 3.31Å; S880-G884 WeakPolarHBondContact OG-CA 3.18Å; S880-I886 CarbonylContact C-O 3.55Å; S880-I886 WeakPolarHBondContact CA-O 3.3Å; S880-I886 WeakPolarHBondContact CB-O 3.25Å |
| 881 | D | 84.8 | Confident | 81.1 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | trans | -68.7 | -179.1 | 160.3 | 75.5 | -42.8 | 0 | 0 | 0 | 112.6 | T883 G884 R885 I886 | D881-T883 VanDerWaalsContact C-N 3.27Å; D881-T883 VanDerWaalsContact CG-OG1 3.25Å; D881-T883 PolarHBondContact O-N 2.7Å; D881-T883 PolarHBondContact OD1-OG1 3.14Å; D881-T883 VanDerWaalsContact OD1-OG1 3.12Å; D881-T883 WeakPolarHBondContact OD2-CB 3.4Å; D881-T883 WeakPolarHBondContact OD2-CG2 3.29Å; D881-T883 PolarHBondContact OD2-N 2.79Å; D881-T883 PolarHBondContact OD2-OG1 2.68Å; D881-G884 PolarHBondContact O-N 3Å; D881-G884 VanDerWaalsContact O-N 3.1Å; D881-G884 PolarHBondContact OD1-N 3.01Å; D881-R885 PolarHBondContact OD1-N 3.38Å; D881-I886 HydrophobicContact CB-CB 4.14Å; D881-I886 PolarHBondContact N-O 3.49Å; D881-I886 PolarHBondContact OD1-N 2.79Å | ||
| 882 | N | 79.6 | Confident | 82 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.3 | -178.6 | 75.1 | -24.6 | 0 | 0 | 0 | 114.2 | Y857 G884 R1078 R1124 | Y857-N882 HydrophobicContact CD2-CB 4.32Å; Y857-N882 HydrophobicContact CE2-CB 3.52Å; N882-G884 VanDerWaalsContact C-N 3.26Å; N882-R1078 PolarHBondContact O-NH1 3.2Å; N882-R1124 PolarHBondContact ND2-NH2 3.02Å |
| 883 | T | 77.6 | Confident | 83.2 | Confident | 64 Ų | 64 | 48 Ų | 48 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -11.9 | 175.5 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | D881 R885 | D881-T883 VanDerWaalsContact C-N 3.27Å; D881-T883 VanDerWaalsContact CG-OG1 3.25Å; D881-T883 PolarHBondContact O-N 2.7Å; D881-T883 PolarHBondContact OD1-OG1 3.14Å; D881-T883 VanDerWaalsContact OD1-OG1 3.12Å; D881-T883 WeakPolarHBondContact OD2-CB 3.4Å; D881-T883 WeakPolarHBondContact OD2-CG2 3.29Å; D881-T883 PolarHBondContact OD2-N 2.79Å; D881-T883 PolarHBondContact OD2-OG1 2.68Å; T883-R885 PolarHBondContact O-N 3.21Å; T883-R885 WeakPolarHBondContact OG1-CB 3.26Å; T883-R885 PolarHBondContact OG1-N 2.95Å |
| 884 | G | 76.9 | Confident | 84 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 80.5 | -2.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R876 P877 S880 D881 N882 | R876-G884 WeakPolarHBondContact CB-O 3.34Å; R876-G884 WeakPolarHBondContact CD-O 3.14Å; R876-G884 VanDerWaalsContact CG-O 3.29Å; R876-G884 WeakPolarHBondContact CG-O 3.23Å; P877-G884 VanDerWaalsContact CD-O 3.27Å; P877-G884 WeakPolarHBondContact CD-O 3.33Å; S880-G884 VanDerWaalsContact OG-CA 3.31Å; S880-G884 WeakPolarHBondContact OG-CA 3.18Å; D881-G884 PolarHBondContact O-N 3Å; D881-G884 VanDerWaalsContact O-N 3.1Å; D881-G884 PolarHBondContact OD1-N 3.01Å; N882-G884 VanDerWaalsContact C-N 3.26Å |
| 885 | R | 79.2 | Confident | 84.1 | Confident | 171 Ų | 171 | 51 Ų | 51 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | trans | -99.7 | -34.6 | -164.7 | -62.9 | -179.9 | -178.3 | -173 | -0.2 | 113.6 | D881 T883 | D881-R885 PolarHBondContact OD1-N 3.38Å; T883-R885 PolarHBondContact O-N 3.21Å; T883-R885 WeakPolarHBondContact OG1-CB 3.26Å; T883-R885 PolarHBondContact OG1-N 2.95Å | ||
| 886 | I | 80.8 | Confident | 84 | Confident | 95 Ų | 95 | 47.5 Ų | 47.5 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -94.8 | 124.1 | -175.3 | -58.3 | 174.8 | 0 | 0 | 0 | 108.5 | S880 D881 L888 | S880-I886 CarbonylContact C-O 3.55Å; S880-I886 WeakPolarHBondContact CA-O 3.3Å; S880-I886 WeakPolarHBondContact CB-O 3.25Å; D881-I886 HydrophobicContact CB-CB 4.14Å; D881-I886 PolarHBondContact N-O 3.49Å; D881-I886 PolarHBondContact OD1-N 2.79Å; I886-L888 PolarHBondContact O-N 2.88Å |
| 887 | E | 86.1 | Confident | 83.7 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -69.4 | 118.6 | 178.6 | -179.2 | 161.1 | -157 | 0 | 0 | 111 | P877 W879 P889 | P877-E887 HydrophobicContact CB-CB 3.65Å; P877-E887 HydrophobicContact CB-CG 3.85Å; P877-E887 HydrophobicContact CG-CB 3.71Å; P877-E887 HydrophobicContact CG-CG 4.44Å; W879-E887 CarbonylContact O-C 3.59Å; W879-E887 WeakPolarHBondContact O-CA 3.39Å; E887-P889 HydrophobicContact CG-CG 4.15Å |
| 888 | L | 86.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | trans | -136 | 65.1 | -172.9 | -157 | 77.2 | 0 | 0 | 0 | 113.8 | E855 T856 W879 I886 I893 I1101 T1121 | E855-L888 VanDerWaalsContact O-CD2 3.22Å; E855-L888 WeakPolarHBondContact O-CD2 3.24Å; T856-L888 PolarHBondContact OG1-O 2.93Å; W879-L888 PolarHBondContact O-N 3.09Å; I886-L888 PolarHBondContact O-N 2.88Å; L888-I893 HydrophobicContact CD2-CD1 4.17Å; L888-I893 HydrophobicContact CG-CD1 4.14Å; L888-I893 HydrophobicContact CG-CG1 4.36Å; L888-I1101 HydrophobicContact CD1-CD1 3.39Å; L888-I1101 HydrophobicContact CD1-CG1 3.75Å; L888-T1121 HydrophobicContact CD1-CG2 3.87Å; L888-T1121 HydrophobicContact CD2-CG2 4.39Å | ||
| 889 | P | 87.5 | Confident | 83.1 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | trans | -57.1 | 144.1 | 176.8 | -23.9 | 32.5 | 0 | 0 | 0 | 113.7 | W879 E887 D891 S892 | W879-P889 HydrophobicContact CB-CB 4.44Å; W879-P889 HydrophobicContact CB-CG 4.44Å; E887-P889 HydrophobicContact CG-CG 4.15Å; P889-D891 PolarHBondContact O-N 2.66Å; P889-D891 VanDerWaalsContact O-N 3.15Å; P889-S892 WeakPolarHBondContact CD-OG 3.23Å; P889-S892 PolarHBondContact O-N 2.68Å; P889-S892 PolarHBondContact O-OG 3.46Å | ||
| 890 | K | 87.7 | Confident | 83 | Confident | 54 Ų | 54 | 54 Ų | 54 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -39.5 | 178.4 | -72.2 | -171.1 | -62.9 | -173.9 | 0 | 114.1 | T856 W879 W905 | T856-K890 HydrophobicContact CG2-CG 3.78Å; W879-K890 HydrophobicContact CE3-CD 4.41Å; W879-K890 HydrophobicContact CE3-CG 3.9Å; W879-K890 HydrophobicContact CH2-CD 3.64Å; W879-K890 HydrophobicContact CH2-CG 4.01Å; W879-K890 HydrophobicContact CZ2-CD 4.45Å; W879-K890 HydrophobicContact CZ3-CD 3.59Å; W879-K890 HydrophobicContact CZ3-CG 3.55Å; K890-W905 HydrophobicContact CB-CD2 4.42Å; K890-W905 HydrophobicContact CB-CZ2 4.17Å; K890-W905 HydrophobicContact CD-CB 4.07Å; K890-W905 HydrophobicContact CD-CD2 3.78Å; K890-W905 HydrophobicContact CD-CE3 4.36Å; K890-W905 HydrophobicContact CD-CG 3.64Å; K890-W905 HydrophobicContact CG-CD2 3.92Å; K890-W905 HydrophobicContact CG-CE3 4.41Å; K890-W905 HydrophobicContact CG-CG 4.24Å; K890-W905 HydrophobicContact CG-CZ2 4.14Å |
| 891 | D | 83.7 | Confident | 83 | Confident | 140 Ų | 140 | 57.2 Ų | 57.2 | 75% | 0.749 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.2 | -176.3 | -57.7 | -38.1 | 0 | 0 | 0 | 113.6 | P889 | P889-D891 PolarHBondContact O-N 2.66Å; P889-D891 VanDerWaalsContact O-N 3.15Å |
| 892 | S | 85.2 | Confident | 83.2 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -21.4 | 177.4 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | P889 Q894 I1101 R1102 | P889-S892 WeakPolarHBondContact CD-OG 3.23Å; P889-S892 PolarHBondContact O-N 2.68Å; P889-S892 PolarHBondContact O-OG 3.46Å; S892-Q894 PolarHBondContact O-N 2.98Å; S892-I1101 CarbonylContact O-C 3.6Å; S892-I1101 WeakPolarHBondContact O-CA 3.21Å; S892-R1102 PolarHBondContact O-N 2.63Å |
| 893 | I | 86.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 61.3 Ų | 61.3 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 118.7 | -177 | -55.2 | 179.5 | 0 | 0 | 0 | 110.7 | A854 L888 W901 W905 L1099 Q1100 | A854-I893 HydrophobicContact CB-CD1 4.39Å; L888-I893 HydrophobicContact CD2-CD1 4.17Å; L888-I893 HydrophobicContact CG-CD1 4.14Å; L888-I893 HydrophobicContact CG-CG1 4.36Å; I893-W901 HydrophobicContact CB-CZ2 4.35Å; I893-W901 HydrophobicContact CG2-CH2 3.89Å; I893-W901 HydrophobicContact CG2-CZ2 3.93Å; I893-W905 HydrophobicContact CD1-CH2 3.76Å; I893-W905 HydrophobicContact CD1-CZ2 3.93Å; I893-L1099 HydrophobicContact CG2-CB 3.95Å; I893-L1099 HydrophobicContact CG2-CD1 3.87Å; I893-L1099 HydrophobicContact CG2-CD2 4.49Å; I893-L1099 HydrophobicContact CG2-CG 4.33Å; I893-Q1100 CarbonylContact C-O 3.49Å; I893-Q1100 WeakPolarHBondContact CA-O 3.25Å |
| 894 | Q | 83.4 | Confident | 84.1 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131 | 173.1 | -60.4 | -170.4 | -80.8 | 0 | 0 | 110.1 | S892 Q1100 R1102 | S892-Q894 PolarHBondContact O-N 2.98Å; Q894-Q1100 HydrophobicContact CB-CB 4.14Å; Q894-Q1100 PolarHBondContact N-O 2.59Å; Q894-Q1100 PolarHBondContact O-N 2.8Å; Q894-R1102 VanDerWaalsContact CD-CG 3.47Å; Q894-R1102 HydrophobicContact CG-CG 3.73Å |
| 895 | L | 81.8 | Confident | 84.7 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 20% | 0.199 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -71 | 141.4 | 174.4 | -65.6 | 175.6 | 0 | 0 | 0 | 110.5 | W899 E900 W901 L1085 L1099 | L895-W899 HydrophobicContact CB-CB 4.25Å; L895-E900 VanDerWaalsContact CD1-C 3.4Å; L895-E900 VanDerWaalsContact CD1-CA 3.47Å; L895-W901 HydrophobicContact CD1-CB 4.41Å; L895-W901 HydrophobicContact CD1-CD2 3.75Å; L895-W901 HydrophobicContact CD1-CE3 4.48Å; L895-W901 HydrophobicContact CD1-CG 3.68Å; L895-W901 HydrophobicContact CD1-CZ2 4.47Å; L895-W901 HydrophobicContact CD2-CD2 3.94Å; L895-W901 HydrophobicContact CD2-CE3 4.04Å; L895-W901 HydrophobicContact CD2-CH2 3.75Å; L895-W901 HydrophobicContact CD2-CZ2 3.62Å; L895-W901 HydrophobicContact CD2-CZ3 3.96Å; L895-W901 HydrophobicContact CG-CD2 4Å; L895-W901 HydrophobicContact CG-CG 4.38Å; L895-W901 HydrophobicContact CG-CH2 4.44Å; L895-W901 HydrophobicContact CG-CZ2 3.81Å; L895-L1085 HydrophobicContact CD2-CB 4.03Å; L895-L1085 HydrophobicContact CD2-CD1 4.31Å; L895-L1085 HydrophobicContact CD2-CD2 4.42Å; L895-L1085 HydrophobicContact CD2-CG 4.5Å; L895-L1099 HydrophobicContact CD2-CD2 3.86Å |
| 896 | P | 76.4 | Confident | 85.1 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 14% | 0.143 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 161.3 | 168.6 | 25.5 | -31.4 | 0 | 0 | 0 | 111.1 | G898 W899 S1096 V1098 | P896-G898 PolarHBondContact O-N 2.68Å; P896-W899 HydrophobicContact CG-CB 4.43Å; P896-W899 HydrophobicContact CG-CG 4.09Å; P896-W899 PolarHBondContact O-N 2.87Å; P896-S1096 WeakPolarHBondContact CG-O 3.48Å; P896-V1098 WeakPolarHBondContact CG-O 3.47Å |
| 897 | T | 77.9 | Confident | 85.3 | Confident | 126 Ų | 126 | 57 Ų | 57 | 77% | 0.773 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 134.2 | 175.6 | -54.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 898 | G | 77.8 | Confident | 85.1 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 25% | 0.247 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -5.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P896 P1087 K1088 | P896-G898 PolarHBondContact O-N 2.68Å; G898-P1087 CarbonylContact O-C 3.55Å; G898-P1087 WeakPolarHBondContact O-CA 3.31Å; G898-K1088 WeakPolarHBondContact O-CB 3.36Å; G898-K1088 PolarHBondContact O-N 2.63Å |
| 899 | W | 84.7 | Confident | 84.7 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 151.6 | 178.5 | -68.5 | 79 | 0 | 0 | 0 | 112.6 | V852 L895 P896 L1085 A1086 K1088 S1095 C1097 | V852-W899 HydrophobicContact CB-CH2 4.43Å; V852-W899 HydrophobicContact CB-CZ3 4.12Å; V852-W899 HydrophobicContact CG1-CH2 4.49Å; V852-W899 HydrophobicContact CG1-CZ3 4.33Å; V852-W899 HydrophobicContact CG2-CH2 3.99Å; V852-W899 HydrophobicContact CG2-CZ3 4.09Å; L895-W899 HydrophobicContact CB-CB 4.25Å; P896-W899 HydrophobicContact CG-CB 4.43Å; P896-W899 HydrophobicContact CG-CG 4.09Å; P896-W899 PolarHBondContact O-N 2.87Å; W899-L1085 HydrophobicContact CD2-CD1 4.23Å; W899-L1085 HydrophobicContact CE3-CB 4.12Å; W899-L1085 HydrophobicContact CE3-CD1 3.59Å; W899-L1085 HydrophobicContact CE3-CG 4.29Å; W899-L1085 HydrophobicContact CZ3-CD1 3.85Å; W899-L1085 HydrophobicContact CZ3-CG 4.47Å; W899-A1086 WeakPolarHBondContact CA-O 3.35Å; W899-A1086 VanDerWaalsContact CE3-C 3.43Å; W899-K1088 WeakPolarHBondContact O-CE 3.19Å; W899-S1095 PolarHBondContact NE1-O 2.99Å; W899-C1097 HydrophobicContact CH2-CB 4.12Å; W899-C1097 HydrophobicContact CZ2-CB 3.65Å |
| 900 | E | 89.4 | Confident | 84.4 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154 | 172.9 | 63.5 | 177.7 | -164.3 | 0 | 0 | 112.6 | L895 L1085 A1086 K1088 | L895-E900 VanDerWaalsContact CD1-C 3.4Å; L895-E900 VanDerWaalsContact CD1-CA 3.47Å; E900-L1085 VanDerWaalsContact O-CA 3.3Å; E900-L1085 WeakPolarHBondContact O-CA 3.49Å; E900-A1086 PolarHBondContact N-O 2.85Å; E900-A1086 PolarHBondContact O-N 3.35Å; E900-K1088 HydrophobicContact CB-CG 3.93Å; E900-K1088 HydrophobicContact CG-CG 3.96Å |
| 901 | W | 90.3 | Very high | 83.9 | Confident | 66 Ų | 66 | 53.2 Ų | 53.2 | 25% | 0.25 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 133.6 | 176.4 | -69.4 | 118.4 | 0 | 0 | 0 | 110.1 | A854 I893 L895 R1083 L1085 | A854-W901 HydrophobicContact CB-CH2 3.61Å; A854-W901 HydrophobicContact CB-CZ3 3.68Å; I893-W901 HydrophobicContact CB-CZ2 4.35Å; I893-W901 HydrophobicContact CG2-CH2 3.89Å; I893-W901 HydrophobicContact CG2-CZ2 3.93Å; L895-W901 HydrophobicContact CD1-CB 4.41Å; L895-W901 HydrophobicContact CD1-CD2 3.75Å; L895-W901 HydrophobicContact CD1-CE3 4.48Å; L895-W901 HydrophobicContact CD1-CG 3.68Å; L895-W901 HydrophobicContact CD1-CZ2 4.47Å; L895-W901 HydrophobicContact CD2-CD2 3.94Å; L895-W901 HydrophobicContact CD2-CE3 4.04Å; L895-W901 HydrophobicContact CD2-CH2 3.75Å; L895-W901 HydrophobicContact CD2-CZ2 3.62Å; L895-W901 HydrophobicContact CD2-CZ3 3.96Å; L895-W901 HydrophobicContact CG-CD2 4Å; L895-W901 HydrophobicContact CG-CG 4.38Å; L895-W901 HydrophobicContact CG-CH2 4.44Å; L895-W901 HydrophobicContact CG-CZ2 3.81Å; W901-R1083 HydrophobicContact CD2-CG 4.34Å; W901-R1083 HydrophobicContact CE3-CB 4.19Å; W901-R1083 VanDerWaalsContact CE3-CD 3.45Å; W901-R1083 HydrophobicContact CE3-CG 3.59Å; W901-R1083 HydrophobicContact CZ3-CB 3.98Å; W901-R1083 HydrophobicContact CZ3-CG 3.91Å; W901-L1085 HydrophobicContact CE3-CB 4.24Å; W901-L1085 HydrophobicContact CE3-CD2 4.22Å; W901-L1085 HydrophobicContact CH2-CD2 4.27Å; W901-L1085 HydrophobicContact CZ3-CB 4.38Å; W901-L1085 HydrophobicContact CZ3-CD2 3.55Å |
| 902 | V | 87.1 | Confident | 83.7 | Confident | 76 Ų | 76 | 46.8 Ų | 46.8 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109.5 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | A1084 A1086 | V902-A1084 HydrophobicContact CB-CB 4.15Å; V902-A1084 PolarHBondContact N-O 2.91Å; V902-A1086 HydrophobicContact CG2-CB 3.55Å |
| 903 | G | 87.5 | Confident | 83.3 | Confident | 56 Ų | 56 | 47 Ų | 47 | 58% | 0.577 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 74.5 | -173.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | R1083 | G903-R1083 PolarHBondContact O-NE 3.29Å; G903-R1083 PolarHBondContact O-NH2 2.81Å; G903-R1083 VanDerWaalsContact O-NH2 3.15Å |
| 904 | D | 89.9 | Confident | 82.5 | Confident | 116 Ų | 116 | 47.3 Ų | 47.3 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 171 | 176.6 | -153.9 | -1.3 | 0 | 0 | 0 | 111.2 | Y906 R1083 | D904-Y906 PolarHBondContact O-N 2.97Å; D904-R1083 IonicContact OD1-CZ 3.96Å; D904-R1083 IonicContact OD1-NH2 3.99Å |
| 905 | W | 89.6 | Confident | 81.9 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 130.5 | 174.8 | -71.9 | 96.9 | 0 | 0 | 0 | 111.5 | A854 T856 K890 I893 W1081 H1082 R1083 | A854-W905 HydrophobicContact CB-CH2 3.88Å; A854-W905 HydrophobicContact CB-CZ3 4.48Å; A854-W905 WeakPolarHBondContact O-CZ3 3.47Å; T856-W905 HydrophobicContact CG2-CE3 4.27Å; T856-W905 HydrophobicContact CG2-CH2 3.83Å; T856-W905 HydrophobicContact CG2-CZ3 3.68Å; K890-W905 HydrophobicContact CB-CD2 4.42Å; K890-W905 HydrophobicContact CB-CZ2 4.17Å; K890-W905 HydrophobicContact CD-CB 4.07Å; K890-W905 HydrophobicContact CD-CD2 3.78Å; K890-W905 HydrophobicContact CD-CE3 4.36Å; K890-W905 HydrophobicContact CD-CG 3.64Å; K890-W905 HydrophobicContact CG-CD2 3.92Å; K890-W905 HydrophobicContact CG-CE3 4.41Å; K890-W905 HydrophobicContact CG-CG 4.24Å; K890-W905 HydrophobicContact CG-CZ2 4.14Å; I893-W905 HydrophobicContact CD1-CH2 3.76Å; I893-W905 HydrophobicContact CD1-CZ2 3.93Å; W905-W1081 HydrophobicContact CB-CE3 3.96Å; W905-W1081 HydrophobicContact CB-CZ3 4.37Å; W905-W1081 HydrophobicContact CE3-CB 3.86Å; W905-W1081 HydrophobicContact CZ3-CB 4.28Å; W905-H1082 WeakPolarHBondContact CA-O 3.34Å; W905-H1082 VanDerWaalsContact CE3-C 3.47Å; W905-R1083 HydrophobicContact CD2-CB 3.58Å; W905-R1083 HydrophobicContact CD2-CG 4.39Å; W905-R1083 HydrophobicContact CE3-CB 3.61Å; W905-R1083 HydrophobicContact CG-CB 4.07Å; W905-R1083 HydrophobicContact CG-CG 4.46Å; W905-R1083 HydrophobicContact CH2-CB 4.23Å; W905-R1083 HydrophobicContact CZ2-CB 4.22Å; W905-R1083 HydrophobicContact CZ3-CB 3.94Å |
| 906 | Y | 87.6 | Confident | 81.3 | Confident | 88 Ų | 88 | 51.3 Ų | 51.3 | 35% | 0.345 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.3 | 176 | 63.9 | -85.4 | 0 | 0 | 0 | 111.1 | D904 W1081 H1082 | D904-Y906 PolarHBondContact O-N 2.97Å; Y906-W1081 WeakPolarHBondContact O-CA 3.5Å; Y906-H1082 VanDerWaalsContact CD1-O 3.26Å; Y906-H1082 WeakPolarHBondContact CD1-O 3.23Å; Y906-H1082 HydrophobicContact CE1-CB 4.02Å; Y906-H1082 HydrophobicContact CE2-CB 3.93Å; Y906-H1082 PolarHBondContact N-O 3.24Å; Y906-H1082 PolarHBondContact O-N 3.11Å |
| 907 | V | 84.2 | Confident | 81 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130 | 177.7 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | P1052 A1055 R1079 R1080 W1081 | V907-P1052 HydrophobicContact CG2-CB 3.82Å; V907-A1055 HydrophobicContact CG1-CB 3.6Å; V907-R1079 HydrophobicContact CG1-CG 3.72Å; V907-R1079 HydrophobicContact CG2-CG 4.16Å; V907-R1080 WeakPolarHBondContact CA-O 3.39Å; V907-W1081 HydrophobicContact CG2-CD2 4.01Å; V907-W1081 HydrophobicContact CG2-CE3 3.88Å; V907-W1081 HydrophobicContact CG2-CH2 3.71Å; V907-W1081 HydrophobicContact CG2-CZ2 3.85Å; V907-W1081 HydrophobicContact CG2-CZ3 3.73Å |
| 908 | S | 82.8 | Confident | 80.6 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | trans | -133.5 | 85.6 | -176.9 | 177 | 0 | 0 | 0 | 0 | 107.3 | R1080 H1082 | S908-R1080 PolarHBondContact N-O 3.1Å; S908-R1080 PolarHBondContact O-NE 2.8Å; S908-R1080 PolarHBondContact O-NH2 3.45Å; S908-H1082 WeakPolarHBondContact CB-ND1 3.39Å; S908-H1082 PolarHBondContact OG-ND1 2.78Å | ||
| 909 | P | 77.8 | Confident | 80 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | trans | -67.3 | 153.1 | -178.6 | 26.4 | -31.7 | 0 | 0 | 0 | 111.7 | L1048 A1055 R1080 | P909-L1048 HydrophobicContact CG-CB 4.32Å; P909-L1048 HydrophobicContact CG-CD1 4.13Å; P909-A1055 HydrophobicContact CG-CB 4.46Å; P909-R1080 PolarHBondContact O-NH2 3.24Å | ||
| 910 | E | 81.2 | Confident | 79.1 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | trans | -73.1 | 134.1 | 177.3 | -163.6 | -70.2 | 131.8 | 0 | 0 | 111.2 | S912 L913 | E910-S912 VanDerWaalsContact CD-OG 3.24Å; E910-S912 PolarHBondContact O-N 2.84Å; E910-S912 PolarHBondContact OE1-N 2.94Å; E910-S912 PolarHBondContact OE1-OG 2.93Å; E910-S912 VanDerWaalsContact OE2-CA 3.29Å; E910-S912 WeakPolarHBondContact OE2-CA 3.32Å; E910-S912 WeakPolarHBondContact OE2-CB 3.33Å; E910-S912 PolarHBondContact OE2-N 2.82Å; E910-S912 PolarHBondContact OE2-OG 3.21Å; E910-L913 HydrophobicContact CB-CD1 4.02Å; E910-L913 HydrophobicContact CB-CG 4.25Å; E910-L913 WeakPolarHBondContact O-CB 3.5Å; E910-L913 PolarHBondContact O-N 2.82Å; E910-L913 PolarHBondContact OE2-N 2.79Å | ||
| 911 | L | 78 | Confident | 78.1 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -65.2 | -37.8 | -170.2 | -79.1 | 164.8 | 0 | 0 | 0 | 113.5 | P621 W622 L913 L914 Y915 L1045 | P621-L911 WeakPolarHBondContact O-CB 3.25Å; W622-L911 WeakPolarHBondContact O-CD1 3.07Å; L911-L913 PolarHBondContact O-N 2.91Å; L911-L914 HydrophobicContact CD2-CD1 4.3Å; L911-L914 WeakPolarHBondContact O-CB 3.49Å; L911-L914 PolarHBondContact O-N 2.83Å; L911-L914 VanDerWaalsContact O-N 3.13Å; L911-Y915 WeakPolarHBondContact O-CD2 3.15Å; L911-L1045 HydrophobicContact CD2-CD1 3.58Å; L911-L1045 HydrophobicContact CD2-CD2 4.42Å |
| 912 | S | 78.7 | Confident | 76.9 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -62.6 | -25.2 | 178.9 | 82.1 | 0 | 0 | 0 | 0 | 112.9 | N609 E910 L914 Y915 | N609-S912 VanDerWaalsContact CB-OG 3.27Å; N609-S912 WeakPolarHBondContact CB-OG 2.8Å; N609-S912 PolarHBondContact N-OG 3.19Å; N609-S912 PolarHBondContact ND2-OG 3.19Å; N609-S912 VanDerWaalsContact ND2-OG 3.14Å; N609-S912 WeakPolarHBondContact O-CB 3.4Å; E910-S912 VanDerWaalsContact CD-OG 3.24Å; E910-S912 PolarHBondContact O-N 2.84Å; E910-S912 PolarHBondContact OE1-N 2.94Å; E910-S912 PolarHBondContact OE1-OG 2.93Å; E910-S912 VanDerWaalsContact OE2-CA 3.29Å; E910-S912 WeakPolarHBondContact OE2-CA 3.32Å; E910-S912 WeakPolarHBondContact OE2-CB 3.33Å; E910-S912 PolarHBondContact OE2-N 2.82Å; E910-S912 PolarHBondContact OE2-OG 3.21Å; S912-L914 PolarHBondContact O-N 3.23Å; S912-Y915 PolarHBondContact O-N 3.05Å; S912-Y915 VanDerWaalsContact O-N 3.16Å |
| 913 | L | 76.1 | Confident | 76.3 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -67.7 | -17 | 176.4 | -60.3 | 175.2 | 0 | 0 | 0 | 113.8 | E910 L911 Y915 E1057 F1066 T1068 | E910-L913 HydrophobicContact CB-CD1 4.02Å; E910-L913 HydrophobicContact CB-CG 4.25Å; E910-L913 WeakPolarHBondContact O-CB 3.5Å; E910-L913 PolarHBondContact O-N 2.82Å; E910-L913 PolarHBondContact OE2-N 2.79Å; L911-L913 PolarHBondContact O-N 2.91Å; L913-Y915 VanDerWaalsContact C-N 3.29Å; L913-E1057 HydrophobicContact CD1-CB 4.36Å; L913-E1057 HydrophobicContact CD1-CG 3.62Å; L913-F1066 HydrophobicContact CD2-CB 4.3Å; L913-F1066 WeakPolarHBondContact CD2-O 3.45Å; L913-T1068 HydrophobicContact CB-CG2 3.99Å; L913-T1068 WeakPolarHBondContact O-CG2 3.29Å |
| 914 | L | 69.9 | Low | 75.9 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -81.5 | -10.6 | 176.7 | -52.6 | 177.2 | 0 | 0 | 0 | 112.4 | L911 S912 L1044 L1045 L1048 T1068 | L911-L914 HydrophobicContact CD2-CD1 4.3Å; L911-L914 WeakPolarHBondContact O-CB 3.49Å; L911-L914 PolarHBondContact O-N 2.83Å; L911-L914 VanDerWaalsContact O-N 3.13Å; S912-L914 PolarHBondContact O-N 3.23Å; L914-L1044 HydrophobicContact CD2-CD2 3.74Å; L914-L1044 HydrophobicContact CD2-CG 4.34Å; L914-L1045 HydrophobicContact CD1-CB 4.42Å; L914-L1045 HydrophobicContact CD1-CD1 3.59Å; L914-L1048 HydrophobicContact CD2-CD1 3.55Å; L914-T1068 HydrophobicContact CD2-CG2 4.44Å |
| 915 | Y | 71.3 | Confident | 75.6 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -87.6 | 132.9 | 178.7 | -69.8 | -100.7 | 0 | 0 | 0 | 111.2 | V611 P621 L911 S912 L913 A919 R1041 | V611-Y915 HydrophobicContact CB-CD1 4.39Å; V611-Y915 HydrophobicContact CG1-CD1 3.42Å; V611-Y915 VanDerWaalsContact CG1-CD1 3.42Å; V611-Y915 HydrophobicContact CG1-CE1 3.86Å; V611-Y915 HydrophobicContact CG1-CG 3.91Å; V611-Y915 HydrophobicContact CG2-CD1 4.13Å; V611-Y915 HydrophobicContact CG2-CD2 4.01Å; V611-Y915 HydrophobicContact CG2-CG 3.76Å; P621-Y915 HydrophobicContact CB-CE2 3.68Å; P621-Y915 HydrophobicContact CG-CD2 4.16Å; P621-Y915 HydrophobicContact CG-CE2 3.67Å; L911-Y915 WeakPolarHBondContact O-CD2 3.15Å; S912-Y915 PolarHBondContact O-N 3.05Å; S912-Y915 VanDerWaalsContact O-N 3.16Å; L913-Y915 VanDerWaalsContact C-N 3.29Å; Y915-A919 HydrophobicContact CD1-CB 3.89Å; Y915-R1041 PolarHBondContact OH-NH1 3.4Å; Y915-R1041 VanDerWaalsContact OH-NH1 3.11Å |
| 916 | K | 68.7 | Low | 75.5 | Confident | 138 Ų | 138 | 45.6 Ų | 45.6 | 60% | 0.6 | 24% | 0.238 | S | C | * | . | trans | -80 | 163.3 | 174.2 | -63.8 | 176.3 | -175.1 | 165.1 | 0 | 110.9 | D918 A919 | K916-D918 WeakPolarHBondContact CB-OD1 3.09Å; K916-D918 PolarHBondContact O-N 2.85Å; K916-A919 WeakPolarHBondContact O-CB 3.33Å; K916-A919 PolarHBondContact O-N 2.81Å | ||
| 917 | K | 70.4 | Confident | 75.6 | Confident | 131 Ų | 131 | 43.6 Ų | 43.6 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.1 | 177.9 | -70.5 | -174.1 | 178.2 | 179.6 | 0 | 113.8 | F924 | K917-F924 HydrophobicContact CB-CE2 4.13Å; K917-F924 HydrophobicContact CB-CZ 4.14Å |
| 918 | D | 69.4 | Low | 75.9 | Confident | 29 Ų | 29 | 43 Ų | 43 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 2.3 | 178.6 | 63.3 | -27.7 | 0 | 0 | 0 | 113.2 | K916 G920 K921 F924 R1016 | K916-D918 WeakPolarHBondContact CB-OD1 3.09Å; K916-D918 PolarHBondContact O-N 2.85Å; D918-G920 PolarHBondContact O-N 3.43Å; D918-K921 PolarHBondContact O-N 3.13Å; D918-F924 HydrophobicContact CB-CB 4.39Å; D918-F924 HydrophobicContact CB-CD1 4.33Å; D918-F924 HydrophobicContact CB-CD2 3.42Å; D918-F924 VanDerWaalsContact CB-CD2 3.42Å; D918-F924 HydrophobicContact CB-CE1 4.48Å; D918-F924 HydrophobicContact CB-CE2 3.62Å; D918-F924 HydrophobicContact CB-CG 3.79Å; D918-F924 HydrophobicContact CB-CZ 4.15Å; D918-R1016 IonicContact OD2-CZ 2.75Å; D918-R1016 IonicContact OD2-NH1 2.7Å; D918-R1016 PolarHBondContact OD2-NH1 3.35Å; D918-R1016 VanDerWaalsContact OD2-NH1 3.11Å; D918-R1016 IonicContact OD2-NH2 3.98Å; D918-R1016 PolarHBondContact OD2-NH2 3.1Å |
| 919 | A | 66.5 | Low | 76.3 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 131.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y915 K916 K921 | Y915-A919 HydrophobicContact CD1-CB 3.89Å; K916-A919 WeakPolarHBondContact O-CB 3.33Å; K916-A919 PolarHBondContact O-N 2.81Å; A919-K921 PolarHBondContact O-N 2.97Å |
| 920 | G | 63.9 | Low | 77.1 | Confident | 33 Ų | 33 | 42 Ų | 42 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -27.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G614 D918 | G614-G920 WeakPolarHBondContact CA-O 3.24Å; D918-G920 PolarHBondContact O-N 3.43Å |
| 921 | K | 69.9 | Low | 77.6 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | trans | -71.2 | 141.5 | -168.2 | -61 | -169.5 | 173.6 | -174.5 | 0 | 112.9 | D918 A919 S923 F924 W967 | D918-K921 PolarHBondContact O-N 3.13Å; A919-K921 PolarHBondContact O-N 2.97Å; K921-S923 WeakPolarHBondContact CB-O 3.37Å; K921-F924 HydrophobicContact CD-CD2 4.06Å; K921-W967 WeakPolarHBondContact O-CH2 3.45Å; K921-W967 VanDerWaalsContact O-CZ2 3.26Å; K921-W967 WeakPolarHBondContact O-CZ2 3.43Å | ||
| 922 | T | 64.8 | Low | 78.4 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 27% | 0.27 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -95.2 | -19.6 | 174.9 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | L1018 L1030 | T922-L1018 PolarHBondContact O-N 3.41Å; T922-L1030 HydrophobicContact CG2-CD1 3.96Å |
| 923 | S | 73.4 | Confident | 79 | Confident | 71 Ų | 71 | 43.6 Ų | 43.6 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.7 | 168.7 | 69.5 | 0 | 0 | 0 | 0 | 109.2 | K921 R1016 | K921-S923 WeakPolarHBondContact CB-O 3.37Å; S923-R1016 WeakPolarHBondContact CA-O 3.34Å |
| 924 | F | 79.5 | Confident | 79.7 | Confident | 35 Ų | 35 | 44 Ų | 44 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 130.6 | -178.6 | -169.7 | -98.6 | 0 | 0 | 0 | 110.1 | K917 D918 K921 E926 W967 R1016 | K917-F924 HydrophobicContact CB-CE2 4.13Å; K917-F924 HydrophobicContact CB-CZ 4.14Å; D918-F924 HydrophobicContact CB-CB 4.39Å; D918-F924 HydrophobicContact CB-CD1 4.33Å; D918-F924 HydrophobicContact CB-CD2 3.42Å; D918-F924 VanDerWaalsContact CB-CD2 3.42Å; D918-F924 HydrophobicContact CB-CE1 4.48Å; D918-F924 HydrophobicContact CB-CE2 3.62Å; D918-F924 HydrophobicContact CB-CG 3.79Å; D918-F924 HydrophobicContact CB-CZ 4.15Å; K921-F924 HydrophobicContact CD-CD2 4.06Å; F924-E926 WeakPolarHBondContact CD1-OE2 3.46Å; F924-E926 WeakPolarHBondContact CE1-OE2 3.38Å; F924-E926 PolarHBondContact O-N 2.74Å; F924-W967 HydrophobicContact CB-CH2 3.99Å; F924-W967 HydrophobicContact CB-CZ3 3.94Å; F924-R1016 HydrophobicContact CB-CG 4Å; F924-R1016 VanDerWaalsContact CD1-NH2 3.3Å; F924-R1016 PolarHBondContact N-O 3.17Å; F924-R1016 VanDerWaalsContact O-CG 3.32Å; F924-R1016 WeakPolarHBondContact O-CG 3.11Å; F924-R1016 PolarHBondContact O-N 3.44Å |
| 925 | V | 84.6 | Confident | 80.4 | Confident | 67 Ų | 67 | 45.7 Ų | 45.7 | 41% | 0.406 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 111.1 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 108 | I1013 | V925-I1013 HydrophobicContact CG1-CB 3.82Å; V925-I1013 HydrophobicContact CG1-CG2 4.02Å |
| 926 | E | 87.2 | Confident | 80.8 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.1 | 169.6 | -154.8 | 64.6 | -147.4 | 0 | 0 | 108.8 | F924 V961 W969 W973 I1013 R1014 R1016 | F924-E926 WeakPolarHBondContact CD1-OE2 3.46Å; F924-E926 WeakPolarHBondContact CE1-OE2 3.38Å; F924-E926 PolarHBondContact O-N 2.74Å; E926-V961 HydrophobicContact CG-CG1 4.08Å; E926-W969 HydrophobicContact CB-CH2 4.1Å; E926-W969 HydrophobicContact CB-CZ3 3.83Å; E926-W969 HydrophobicContact CG-CH2 4.1Å; E926-W969 HydrophobicContact CG-CZ3 4.35Å; E926-W973 HydrophobicContact CB-CH2 4.21Å; E926-W973 HydrophobicContact CG-CH2 4.12Å; E926-I1013 CarbonylContact O-C 3.52Å; E926-I1013 WeakPolarHBondContact O-CA 2.86Å; E926-R1014 WeakPolarHBondContact CA-O 3.5Å; E926-R1014 WeakPolarHBondContact CB-O 3.23Å; E926-R1014 PolarHBondContact N-O 2.85Å; E926-R1014 PolarHBondContact O-N 3.29Å; E926-R1016 IonicContact OE2-CZ 3.43Å; E926-R1016 IonicContact OE2-NE 3.87Å; E926-R1016 PolarHBondContact OE2-NE 2.97Å; E926-R1016 IonicContact OE2-NH2 3.93Å |
| 927 | E | 89.8 | Confident | 81.4 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.5 | -177.4 | 65.1 | 177.3 | 177.7 | 0 | 0 | 111 | R1011 L1012 I1013 | E927-R1011 IonicContact OE2-CZ 3.14Å; E927-R1011 IonicContact OE2-NE 3.7Å; E927-R1011 PolarHBondContact OE2-NE 2.63Å; E927-R1011 IonicContact OE2-NH2 3.98Å; E927-R1011 PolarHBondContact OE2-NH2 3.06Å; E927-L1012 WeakPolarHBondContact CA-O 3.44Å; E927-I1013 HydrophobicContact CB-CG2 4.34Å |
| 928 | L | 90.9 | Very high | 82.1 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 138.2 | -176.7 | -156.4 | 124.7 | 0 | 0 | 0 | 108.7 | Y947 T948 K955 P958 V961 W973 L1012 | L928-Y947 HydrophobicContact CD2-CD1 3.28Å; L928-Y947 HydrophobicContact CD2-CE1 4.06Å; L928-Y947 HydrophobicContact CD2-CG 3.8Å; L928-T948 CarbonylContact C-O 3.59Å; L928-K955 HydrophobicContact CD1-CB 3.84Å; L928-K955 HydrophobicContact CD1-CG 4.42Å; L928-K955 HydrophobicContact CG-CB 4.31Å; L928-P958 HydrophobicContact CD2-CG 4.08Å; L928-V961 HydrophobicContact CD1-CG2 3.62Å; L928-W973 HydrophobicContact CB-CE3 4.42Å; L928-W973 HydrophobicContact CB-CH2 3.52Å; L928-W973 HydrophobicContact CB-CZ2 4.38Å; L928-W973 HydrophobicContact CB-CZ3 3.55Å; L928-W973 HydrophobicContact CD1-CH2 4.08Å; L928-W973 HydrophobicContact CD1-CZ2 4.29Å; L928-W973 HydrophobicContact CG-CH2 4.39Å; L928-L1012 HydrophobicContact CD2-CD1 4.48Å; L928-L1012 PolarHBondContact N-O 2.98Å; L928-L1012 WeakPolarHBondContact O-CA 3.42Å; L928-L1012 WeakPolarHBondContact O-CB 3.25Å; L928-L1012 PolarHBondContact O-N 3.17Å; L928-L1012 VanDerWaalsContact O-O 3.12Å |
| 929 | F | 91.3 | Very high | 83.1 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.7 | -176.8 | -72.4 | -100.7 | 0 | 0 | 0 | 108.8 | N931 Y947 T948 A950 R1009 R1010 R1011 | F929-N931 PolarHBondContact O-ND2 3.43Å; F929-Y947 CarbonylContact O-C 3.56Å; F929-Y947 VanDerWaalsContact O-CA 3.26Å; F929-Y947 WeakPolarHBondContact O-CA 3.28Å; F929-T948 PolarHBondContact N-O 3.38Å; F929-T948 PolarHBondContact O-N 3.22Å; F929-A950 HydrophobicContact CD2-CB 4.21Å; F929-A950 HydrophobicContact CE2-CB 3.48Å; F929-A950 VanDerWaalsContact CE2-CB 3.48Å; F929-A950 HydrophobicContact CZ-CB 3.9Å; F929-R1009 HydrophobicContact CD1-CB 4.41Å; F929-R1009 HydrophobicContact CD1-CG 3.84Å; F929-R1010 CarbonylContact C-O 3.58Å; F929-R1010 VanDerWaalsContact CA-O 3.3Å; F929-R1010 WeakPolarHBondContact CA-O 3.38Å; F929-R1011 HydrophobicContact CD1-CB 4Å; F929-R1011 HydrophobicContact CD1-CG 4.37Å; F929-R1011 HydrophobicContact CE1-CB 3.59Å; F929-R1011 HydrophobicContact CE1-CG 3.79Å; F929-R1011 HydrophobicContact CE2-CG 3.92Å; F929-R1011 HydrophobicContact CZ-CB 3.92Å; F929-R1011 HydrophobicContact CZ-CG 3.54Å |
| 930 | Y | 93.8 | Very high | 84.3 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124 | 170.4 | 167.9 | -91.6 | 0 | 0 | 0 | 109.2 | E932 V942 A946 Y947 F986 R1009 R1010 | Y930-E932 HydrophobicContact CD1-CG 4.21Å; Y930-E932 HydrophobicContact CE1-CG 3.42Å; Y930-E932 VanDerWaalsContact CE1-CG 3.42Å; Y930-E932 WeakPolarHBondContact CE1-OE1 3.31Å; Y930-E932 PolarHBondContact OH-OE1 2.84Å; Y930-V942 HydrophobicContact CE2-CG1 4.33Å; Y930-A946 CarbonylContact C-O 3.52Å; Y930-A946 WeakPolarHBondContact CA-O 3.29Å; Y930-Y947 HydrophobicContact CD2-CD1 4.06Å; Y930-Y947 AromaticContact CD2-CE1 3.52Å; Y930-Y947 HydrophobicContact CD2-CE1 3.52Å; Y930-Y947 HydrophobicContact CD2-CE2 4.47Å; Y930-Y947 AromaticContact CD2-CZ 3.75Å; Y930-Y947 HydrophobicContact CG-CD1 4.5Å; Y930-Y947 HydrophobicContact CG-CE1 4.09Å; Y930-F986 HydrophobicContact CD1-CE1 4.16Å; Y930-F986 HydrophobicContact CD1-CZ 4.26Å; Y930-F986 HydrophobicContact CE1-CE1 4.34Å; Y930-F986 HydrophobicContact CE1-CZ 4.15Å; Y930-R1009 CarbonylContact O-C 3.44Å; Y930-R1009 WeakPolarHBondContact O-CA 3.39Å; Y930-R1010 HydrophobicContact CD1-CG 3.85Å; Y930-R1010 HydrophobicContact CG-CG 4.26Å; Y930-R1010 PolarHBondContact N-O 2.76Å; Y930-R1010 PolarHBondContact O-N 2.92Å |
| 931 | N | 92.6 | Very high | 85.6 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.2 | -169.4 | -56.3 | -76.8 | 0 | 0 | 0 | 111.3 | F929 A943 A946 T948 R1009 | F929-N931 PolarHBondContact O-ND2 3.43Å; N931-A943 HydrophobicContact CB-CB 3.85Å; N931-A943 WeakPolarHBondContact O-CB 3.5Å; N931-A943 PolarHBondContact O-N 2.89Å; N931-A946 PolarHBondContact N-O 2.69Å; N931-T948 VanDerWaalsContact ND2-CG2 3.31Å; N931-T948 WeakPolarHBondContact ND2-CG2 3.34Å; N931-T948 PolarHBondContact ND2-OG1 3.36Å; N931-R1009 WeakPolarHBondContact OD1-CB 3.38Å |
| 932 | E | 94.1 | Very high | 86.5 | Confident | 24 Ų | 24 | 53 Ų | 53 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151 | 171.8 | -66.3 | -172.3 | 163.9 | 0 | 0 | 110.8 | Y930 W940 K941 F986 F1007 R1008 | Y930-E932 HydrophobicContact CD1-CG 4.21Å; Y930-E932 HydrophobicContact CE1-CG 3.42Å; Y930-E932 VanDerWaalsContact CE1-CG 3.42Å; Y930-E932 WeakPolarHBondContact CE1-OE1 3.31Å; Y930-E932 PolarHBondContact OH-OE1 2.84Å; E932-W940 HydrophobicContact CB-CB 4.46Å; E932-W940 HydrophobicContact CB-CE3 4.12Å; E932-W940 WeakPolarHBondContact OE2-CB 3.42Å; E932-K941 CarbonylContact C-O 3.49Å; E932-K941 WeakPolarHBondContact CA-O 3.12Å; E932-K941 VanDerWaalsContact CB-O 3.29Å; E932-K941 WeakPolarHBondContact CB-O 3.3Å; E932-F986 HydrophobicContact CG-CE1 4.29Å; E932-F1007 WeakPolarHBondContact O-CA 3.43Å; E932-R1008 HydrophobicContact CB-CG 3.86Å; E932-R1008 PolarHBondContact N-O 2.99Å; E932-R1008 PolarHBondContact O-N 2.99Å; E932-R1008 VanDerWaalsContact O-O 3.13Å; E932-R1008 IonicContact OE2-CZ 3.25Å; E932-R1008 IonicContact OE2-NE 2.78Å; E932-R1008 PolarHBondContact OE2-NE 2.86Å; E932-R1008 IonicContact OE2-NH2 3.36Å; E932-R1008 PolarHBondContact OE2-NH2 3.32Å |
| 933 | F | 92.1 | Very high | 87.5 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.7 | -177.6 | 166.9 | -100.6 | 0 | 0 | 0 | 110.7 | T935 K941 A943 M1006 F1007 | F933-T935 HydrophobicContact CE1-CG2 4.37Å; F933-T935 HydrophobicContact CZ-CG2 4.03Å; F933-K941 PolarHBondContact N-O 2.81Å; F933-K941 PolarHBondContact O-N 2.89Å; F933-A943 HydrophobicContact CB-CB 4.04Å; F933-M1006 CarbonylContact C-O 3.6Å; F933-M1006 VanDerWaalsContact CA-O 3.3Å; F933-M1006 WeakPolarHBondContact CA-O 3.48Å; F933-M1006 HydrophobicContact CD2-CB 4.48Å; F933-M1006 VanDerWaalsContact CD2-O 3.22Å; F933-M1006 WeakPolarHBondContact CD2-O 3.14Å; F933-M1006 HydrophobicContact CE2-CB 4.18Å; F933-M1006 HydrophobicContact CE2-CE 3.67Å; F933-M1006 HydrophobicContact CZ-CE 4.06Å; F933-F1007 HydrophobicContact CB-CD1 4.08Å; F933-F1007 HydrophobicContact CB-CE1 3.91Å; F933-F1007 AromaticContact CD2-CD1 3.98Å; F933-F1007 HydrophobicContact CD2-CD1 3.98Å; F933-F1007 HydrophobicContact CD2-CD2 4.07Å; F933-F1007 AromaticContact CD2-CE1 3.52Å; F933-F1007 HydrophobicContact CD2-CE1 3.52Å; F933-F1007 AromaticContact CD2-CE2 3.61Å; F933-F1007 HydrophobicContact CD2-CE2 3.61Å; F933-F1007 HydrophobicContact CD2-CG 4.25Å; F933-F1007 AromaticContact CD2-CZ 3.31Å; F933-F1007 HydrophobicContact CD2-CZ 3.31Å; F933-F1007 HydrophobicContact CE2-CE1 4.44Å; F933-F1007 AromaticContact CE2-CE2 3.88Å; F933-F1007 HydrophobicContact CE2-CE2 3.88Å; F933-F1007 AromaticContact CE2-CZ 3.81Å; F933-F1007 HydrophobicContact CE2-CZ 3.81Å; F933-F1007 HydrophobicContact CG-CE1 4.06Å; F933-F1007 HydrophobicContact CG-CZ 4.23Å |
| 934 | R | 90.4 | Very high | 87.9 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | trans | -147.3 | 162.6 | 167.9 | 72.1 | 174.9 | -179.7 | -171.7 | 1.1 | 111.3 | S938 W940 E1001 K1002 H1005 M1006 | R934-S938 WeakPolarHBondContact CA-OG 3.16Å; R934-W940 HydrophobicContact CB-CD2 4.12Å; R934-W940 HydrophobicContact CB-CE3 3.82Å; R934-W940 HydrophobicContact CB-CZ3 4.16Å; R934-W940 VanDerWaalsContact CD-CE2 3.49Å; R934-W940 HydrophobicContact CG-CD2 3.97Å; R934-W940 HydrophobicContact CG-CE3 3.72Å; R934-W940 HydrophobicContact CG-CH2 3.79Å; R934-W940 HydrophobicContact CG-CZ2 4.03Å; R934-W940 HydrophobicContact CG-CZ3 3.63Å; R934-E1001 IonicContact CZ-OE1 3.36Å; R934-E1001 IonicContact NH1-OE1 3.69Å; R934-E1001 PolarHBondContact NH1-OE1 2.77Å; R934-E1001 IonicContact NH1-OE2 2.9Å; R934-E1001 VanDerWaalsContact NH2-CD 3.33Å; R934-E1001 IonicContact NH2-OE1 2.63Å; R934-E1001 PolarHBondContact NH2-OE1 3.06Å; R934-K1002 PolarHBondContact NH2-O 3.16Å; R934-K1002 VanDerWaalsContact NH2-O 3.07Å; R934-H1005 PolarHBondContact NE-O 2.87Å; R934-H1005 PolarHBondContact NH2-O 2.95Å; R934-M1006 PolarHBondContact N-O 2.83Å; R934-M1006 WeakPolarHBondContact O-CA 3.23Å; R934-M1006 VanDerWaalsContact O-CB 3.23Å; R934-M1006 WeakPolarHBondContact O-CB 3.26Å | ||
| 935 | T | 84.4 | Confident | 88 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | trans | -91.7 | 162.6 | 155.4 | 63 | 0 | 0 | 0 | 0 | 109.6 | F933 T937 S938 | F933-T935 HydrophobicContact CE1-CG2 4.37Å; F933-T935 HydrophobicContact CZ-CG2 4.03Å; T935-T937 PolarHBondContact O-N 3.16Å; T935-S938 PolarHBondContact N-OG 2.87Å; T935-S938 PolarHBondContact O-N 3.38Å; T935-S938 WeakPolarHBondContact OG1-CB 3.23Å; T935-S938 PolarHBondContact OG1-N 2.89Å; T935-S938 PolarHBondContact OG1-OG 2.91Å | ||
| 936 | P | 79.1 | Confident | 88.1 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -15.2 | 179.6 | -28.6 | 36 | 0 | 0 | 0 | 115.6 | ||
| 937 | T | 81.2 | Confident | 88.3 | Confident | 139 Ų | 139 | 56.9 Ų | 56.9 | 85% | 0.853 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -4.2 | 179.7 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | T935 | T935-T937 PolarHBondContact O-N 3.16Š|
| 938 | S | 85.7 | Confident | 88.2 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 22% | 0.217 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -104 | 155 | -179.1 | 81 | 0 | 0 | 0 | 0 | 112.3 | R934 T935 | R934-S938 WeakPolarHBondContact CA-OG 3.16Å; T935-S938 PolarHBondContact N-OG 2.87Å; T935-S938 PolarHBondContact O-N 3.38Å; T935-S938 WeakPolarHBondContact OG1-CB 3.23Å; T935-S938 PolarHBondContact OG1-N 2.89Å; T935-S938 PolarHBondContact OG1-OG 2.91Å |
| 939 | P | 89.6 | Confident | 87.8 | Confident | 97 Ų | 97 | 56 Ų | 56 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | trans | -66.7 | 161.4 | 165.9 | 29.6 | -34.8 | 0 | 0 | 0 | 111.1 | ||||
| 940 | W | 91.5 | Very high | 87.2 | Confident | 44 Ų | 44 | 57 Ų | 57 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | trans | -62.6 | 135.5 | 172.6 | -66.4 | 111.2 | 0 | 0 | 0 | 111.3 | E932 R934 Y988 E1001 M1006 R1008 | E932-W940 HydrophobicContact CB-CB 4.46Å; E932-W940 HydrophobicContact CB-CE3 4.12Å; E932-W940 WeakPolarHBondContact OE2-CB 3.42Å; R934-W940 HydrophobicContact CB-CD2 4.12Å; R934-W940 HydrophobicContact CB-CE3 3.82Å; R934-W940 HydrophobicContact CB-CZ3 4.16Å; R934-W940 VanDerWaalsContact CD-CE2 3.49Å; R934-W940 HydrophobicContact CG-CD2 3.97Å; R934-W940 HydrophobicContact CG-CE3 3.72Å; R934-W940 HydrophobicContact CG-CH2 3.79Å; R934-W940 HydrophobicContact CG-CZ2 4.03Å; R934-W940 HydrophobicContact CG-CZ3 3.63Å; W940-Y988 HydrophobicContact CH2-CD1 4.08Å; W940-Y988 HydrophobicContact CH2-CE1 4.31Å; W940-Y988 AromaticContact CZ2-CD1 3.7Å; W940-Y988 HydrophobicContact CZ2-CD1 3.7Å; W940-Y988 AromaticContact CZ2-CE1 3.56Å; W940-Y988 HydrophobicContact CZ2-CE1 3.56Å; W940-E1001 PolarHBondContact NE1-OE2 2.78Å; W940-M1006 WeakPolarHBondContact CZ3-O 3.5Å; W940-R1008 HydrophobicContact CD2-CG 3.91Å; W940-R1008 HydrophobicContact CE3-CB 4.43Å; W940-R1008 HydrophobicContact CE3-CG 3.65Å; W940-R1008 HydrophobicContact CH2-CB 3.78Å; W940-R1008 HydrophobicContact CH2-CG 3.88Å; W940-R1008 HydrophobicContact CZ2-CB 4.18Å; W940-R1008 HydrophobicContact CZ2-CG 4.12Å; W940-R1008 HydrophobicContact CZ3-CB 3.92Å; W940-R1008 HydrophobicContact CZ3-CG 3.63Å | ||
| 941 | K | 91.3 | Very high | 86.1 | Confident | 134 Ų | 134 | 58.9 Ų | 58.9 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 157.9 | 176.6 | -63.7 | -179.2 | -177.4 | 178.8 | 0 | 109.3 | E932 F933 A943 | E932-K941 CarbonylContact C-O 3.49Å; E932-K941 WeakPolarHBondContact CA-O 3.12Å; E932-K941 VanDerWaalsContact CB-O 3.29Å; E932-K941 WeakPolarHBondContact CB-O 3.3Å; F933-K941 PolarHBondContact N-O 2.81Å; F933-K941 PolarHBondContact O-N 2.89Å; K941-A943 PolarHBondContact O-N 2.79Å |
| 942 | V | 89.5 | Confident | 85.2 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 126.8 | 174.2 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | Y930 A946 | Y930-V942 HydrophobicContact CE2-CG1 4.33Å; V942-A946 HydrophobicContact CG1-CB 3.38Å |
| 943 | A | 85.9 | Confident | 84.4 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 157.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N931 F933 K941 P945 A946 | N931-A943 HydrophobicContact CB-CB 3.85Å; N931-A943 WeakPolarHBondContact O-CB 3.5Å; N931-A943 PolarHBondContact O-N 2.89Å; F933-A943 HydrophobicContact CB-CB 4.04Å; K941-A943 PolarHBondContact O-N 2.79Å; A943-P945 CarbonylContact O-C 3.48Å; A943-A946 WeakPolarHBondContact O-CA 2.99Å; A943-A946 PolarHBondContact O-N 3.38Å |
| 944 | E | 81.7 | Confident | 83.9 | Confident | 197 Ų | 197 | 62.7 Ų | 62.7 | 92% | 0.921 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 113.4 | 164.9 | -77.2 | -172.1 | 171.1 | 0 | 0 | 108.4 | ||
| 945 | P | 81.9 | Confident | 83.5 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 29% | 0.292 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -76.8 | 145.5 | 1.2 | 32.3 | -36.6 | 0 | 0 | 0 | 114.3 | A943 T948 L954 | A943-P945 CarbonylContact O-C 3.48Å; P945-T948 HydrophobicContact CB-CG2 4.25Å; P945-T948 HydrophobicContact CG-CG2 3.49Å; P945-T948 VanDerWaalsContact CG-CG2 3.49Å; P945-L954 HydrophobicContact CB-CB 4.17Å; P945-L954 HydrophobicContact CB-CD1 3.42Å; P945-L954 VanDerWaalsContact CB-CD1 3.42Å; P945-L954 HydrophobicContact CB-CG 4.35Å; P945-L954 HydrophobicContact CG-CB 4.45Å |
| 946 | A | 86.9 | Confident | 83.2 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -37.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y930 N931 V942 A943 | Y930-A946 CarbonylContact C-O 3.52Å; Y930-A946 WeakPolarHBondContact CA-O 3.29Å; N931-A946 PolarHBondContact N-O 2.69Å; V942-A946 HydrophobicContact CG1-CB 3.38Å; A943-A946 WeakPolarHBondContact O-CA 2.99Å; A943-A946 PolarHBondContact O-N 3.38Å |
| 947 | Y | 90.8 | Very high | 83.5 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 21% | 0.208 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.9 | -177 | -65.9 | -73.4 | 0 | 0 | 0 | 110.5 | L928 F929 Y930 K955 E957 P958 L1012 | L928-Y947 HydrophobicContact CD2-CD1 3.28Å; L928-Y947 HydrophobicContact CD2-CE1 4.06Å; L928-Y947 HydrophobicContact CD2-CG 3.8Å; F929-Y947 CarbonylContact O-C 3.56Å; F929-Y947 VanDerWaalsContact O-CA 3.26Å; F929-Y947 WeakPolarHBondContact O-CA 3.28Å; Y930-Y947 HydrophobicContact CD2-CD1 4.06Å; Y930-Y947 AromaticContact CD2-CE1 3.52Å; Y930-Y947 HydrophobicContact CD2-CE1 3.52Å; Y930-Y947 HydrophobicContact CD2-CE2 4.47Å; Y930-Y947 AromaticContact CD2-CZ 3.75Å; Y930-Y947 HydrophobicContact CG-CD1 4.5Å; Y930-Y947 HydrophobicContact CG-CE1 4.09Å; Y947-K955 PolarHBondContact O-N 3.38Å; Y947-E957 HydrophobicContact CD2-CB 3.87Å; Y947-E957 HydrophobicContact CE2-CB 3.71Å; Y947-P958 HydrophobicContact CD1-CG 4.37Å; Y947-P958 HydrophobicContact CE1-CG 3.77Å; Y947-P958 VanDerWaalsContact CZ-CD 3.43Å; Y947-L1012 HydrophobicContact CE1-CD1 4.2Å |
| 948 | T | 87.4 | Confident | 83.5 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 171.6 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | L928 F929 N931 P945 G952 E953 | L928-T948 CarbonylContact C-O 3.59Å; F929-T948 PolarHBondContact N-O 3.38Å; F929-T948 PolarHBondContact O-N 3.22Å; N931-T948 VanDerWaalsContact ND2-CG2 3.31Å; N931-T948 WeakPolarHBondContact ND2-CG2 3.34Å; N931-T948 PolarHBondContact ND2-OG1 3.36Å; P945-T948 HydrophobicContact CB-CG2 4.25Å; P945-T948 HydrophobicContact CG-CG2 3.49Å; P945-T948 VanDerWaalsContact CG-CG2 3.49Å; T948-G952 WeakPolarHBondContact CG2-O 3.42Å; T948-E953 CarbonylContact C-O 3.5Å; T948-E953 WeakPolarHBondContact CA-O 3.28Å; T948-E953 WeakPolarHBondContact CB-O 3.41Å |
| 949 | D | 82.3 | Confident | 83.3 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | trans | -79.1 | -176.1 | 158.1 | 66.7 | 14 | 0 | 0 | 0 | 111.5 | Q951 G952 E953 K955 | D949-Q951 PolarHBondContact O-N 3.39Å; D949-Q951 VanDerWaalsContact O-N 3.16Å; D949-Q951 WeakPolarHBondContact OD1-CA 3.17Å; D949-Q951 WeakPolarHBondContact OD1-CB 3.07Å; D949-Q951 PolarHBondContact OD1-N 2.63Å; D949-G952 PolarHBondContact O-N 3.22Å; D949-G952 VanDerWaalsContact O-N 3.13Å; D949-G952 PolarHBondContact OD1-N 3.37Å; D949-E953 PolarHBondContact N-O 2.76Å; D949-E953 PolarHBondContact OD1-N 3.01Å; D949-K955 HydrophobicContact CB-CG 4.27Å | ||
| 950 | A | 78.1 | Confident | 83.1 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F929 R1009 | F929-A950 HydrophobicContact CD2-CB 4.21Å; F929-A950 HydrophobicContact CE2-CB 3.48Å; F929-A950 VanDerWaalsContact CE2-CB 3.48Å; F929-A950 HydrophobicContact CZ-CB 3.9Å; A950-R1009 PolarHBondContact O-NH1 3.42Å |
| 951 | Q | 72.6 | Confident | 82.5 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -3.7 | -178.8 | -68.7 | 69.5 | 48.1 | 0 | 0 | 112.5 | D949 V1073 | D949-Q951 PolarHBondContact O-N 3.39Å; D949-Q951 VanDerWaalsContact O-N 3.16Å; D949-Q951 WeakPolarHBondContact OD1-CA 3.17Å; D949-Q951 WeakPolarHBondContact OD1-CB 3.07Å; D949-Q951 PolarHBondContact OD1-N 2.63Å; Q951-V1073 HydrophobicContact CB-CG2 4.17Å; Q951-V1073 VanDerWaalsContact O-CG1 3.23Å; Q951-V1073 WeakPolarHBondContact O-CG1 3.39Å |
| 952 | G | 71.9 | Confident | 82 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | trans | 89.8 | 9.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T948 D949 | T948-G952 WeakPolarHBondContact CG2-O 3.42Å; D949-G952 PolarHBondContact O-N 3.22Å; D949-G952 VanDerWaalsContact O-N 3.13Å; D949-G952 PolarHBondContact OD1-N 3.37Å | ||
| 953 | E | 77.1 | Confident | 81.5 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 17% | 0.173 | 35% | 0.349 | C | S | . | . | trans | -73.8 | 137 | 174.8 | -71.6 | -53 | 130.9 | 0 | 0 | 111.6 | T948 D949 K955 R1071 K1072 | T948-E953 CarbonylContact C-O 3.5Å; T948-E953 WeakPolarHBondContact CA-O 3.28Å; T948-E953 WeakPolarHBondContact CB-O 3.41Å; D949-E953 PolarHBondContact N-O 2.76Å; D949-E953 PolarHBondContact OD1-N 3.01Å; E953-K955 PolarHBondContact O-N 2.9Å; E953-K955 VanDerWaalsContact O-N 3.13Å; E953-R1071 HydrophobicContact CG-CB 4.3Å; E953-K1072 WeakPolarHBondContact OE1-CA 3.46Å; E953-K1072 WeakPolarHBondContact OE1-CB 3.18Å; E953-K1072 WeakPolarHBondContact OE1-CG 2.89Å; E953-K1072 PolarHBondContact OE1-N 2.97Å | ||
| 954 | L | 82.6 | Confident | 81 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -55.7 | 121.2 | 178.4 | 171.3 | 68.4 | 0 | 0 | 0 | 109.6 | P945 | P945-L954 HydrophobicContact CB-CB 4.17Å; P945-L954 HydrophobicContact CB-CD1 3.42Å; P945-L954 VanDerWaalsContact CB-CD1 3.42Å; P945-L954 HydrophobicContact CB-CG 4.35Å; P945-L954 HydrophobicContact CG-CB 4.45Å |
| 955 | K | 81 | Confident | 80.7 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 34% | 0.339 | 36% | 0.356 | S | S | . | . | trans | -110.8 | 154.5 | 168 | -76 | -76.5 | -174 | 160.2 | 0 | 108.7 | L928 Y947 D949 E953 | L928-K955 HydrophobicContact CD1-CB 3.84Å; L928-K955 HydrophobicContact CD1-CG 4.42Å; L928-K955 HydrophobicContact CG-CB 4.31Å; Y947-K955 PolarHBondContact O-N 3.38Å; D949-K955 HydrophobicContact CB-CG 4.27Å; E953-K955 PolarHBondContact O-N 2.9Å; E953-K955 VanDerWaalsContact O-N 3.13Å | ||
| 956 | G | 79.9 | Confident | 80.1 | Confident | 37 Ų | 37 | 62 Ų | 62 | 38% | 0.381 | 36% | 0.359 | S | S | . | . | trans | -60.5 | 159.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T960 | G956-T960 WeakPolarHBondContact CA-OG1 3Š| ||
| 957 | E | 83.7 | Confident | 79.8 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | trans | -56.9 | 157.2 | 170.5 | 62.3 | -179.7 | 176.6 | 0 | 0 | 111.2 | Y947 N959 T960 | Y947-E957 HydrophobicContact CD2-CB 3.87Å; Y947-E957 HydrophobicContact CE2-CB 3.71Å; E957-N959 PolarHBondContact O-N 2.65Å; E957-T960 HydrophobicContact CG-CG2 3.5Å; E957-T960 VanDerWaalsContact CG-CG2 3.5Å; E957-T960 PolarHBondContact N-OG1 3.44Å; E957-T960 PolarHBondContact O-N 3.46Å; E957-T960 PolarHBondContact O-OG1 3.41Å | ||
| 958 | P | 83 | Confident | 79.4 | Confident | 18 Ų | 18 | 60.9 Ų | 60.9 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -48.3 | -33.9 | -171.3 | -29.4 | 32.9 | 0 | 0 | 0 | 115.3 | L928 Y947 W973 L1012 | L928-P958 HydrophobicContact CD2-CG 4.08Å; Y947-P958 HydrophobicContact CD1-CG 4.37Å; Y947-P958 HydrophobicContact CE1-CG 3.77Å; Y947-P958 VanDerWaalsContact CZ-CD 3.43Å; P958-W973 VanDerWaalsContact CB-CD1 3.42Å; P958-W973 HydrophobicContact CB-CD2 4.08Å; P958-W973 HydrophobicContact CB-CG 3.86Å; P958-W973 VanDerWaalsContact CB-NE1 3.35Å; P958-W973 PolarHBondContact O-NE1 2.87Å; P958-L1012 HydrophobicContact CG-CD1 4.03Å |
| 959 | N | 81.6 | Confident | 79.4 | Confident | 142 Ų | 142 | 63.3 Ų | 63.3 | 76% | 0.759 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -84.2 | -8.6 | -178.8 | -65.9 | -18.8 | 0 | 0 | 0 | 114.7 | E957 | E957-N959 PolarHBondContact O-N 2.65Š|
| 960 | T | 83.4 | Confident | 79.3 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -98.8 | -4 | 178.8 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | G956 E957 E962 | G956-T960 WeakPolarHBondContact CA-OG1 3Å; E957-T960 HydrophobicContact CG-CG2 3.5Å; E957-T960 VanDerWaalsContact CG-CG2 3.5Å; E957-T960 PolarHBondContact N-OG1 3.44Å; E957-T960 PolarHBondContact O-N 3.46Å; E957-T960 PolarHBondContact O-OG1 3.41Å; T960-E962 PolarHBondContact O-N 2.95Å; T960-E962 VanDerWaalsContact O-N 3.16Å |
| 961 | V | 80.9 | Confident | 79.5 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | trans | -68.4 | 111.3 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | E926 L928 W969 W973 | E926-V961 HydrophobicContact CG-CG1 4.08Å; L928-V961 HydrophobicContact CD1-CG2 3.62Å; V961-W969 HydrophobicContact CG1-CH2 4.03Å; V961-W969 HydrophobicContact CG1-CZ2 4.17Å; V961-W973 HydrophobicContact CB-CZ2 4.38Å; V961-W973 HydrophobicContact CG2-CZ2 3.96Å | ||
| 962 | E | 78.9 | Confident | 80.2 | Confident | 176 Ų | 176 | 68.9 Ų | 68.9 | 82% | 0.822 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 140.7 | -179.9 | -65.2 | -174.1 | 167.3 | 0 | 0 | 112.1 | T960 | T960-E962 PolarHBondContact O-N 2.95Å; T960-E962 VanDerWaalsContact O-N 3.16Å |
| 963 | L | 78.9 | Confident | 81.1 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 126.9 | 170 | -88.1 | 157.5 | 0 | 0 | 0 | 109.8 | W967 W969 R1016 | L963-W967 HydrophobicContact CD2-CB 3.76Å; L963-W969 HydrophobicContact CD1-CD2 4.32Å; L963-W969 HydrophobicContact CD1-CG 3.98Å; L963-W969 VanDerWaalsContact CD1-NE1 3.25Å; L963-W969 HydrophobicContact CD2-CD2 3.82Å; L963-W969 HydrophobicContact CD2-CE3 4.33Å; L963-W969 HydrophobicContact CD2-CG 4.16Å; L963-W969 HydrophobicContact CD2-CH2 4.41Å; L963-W969 HydrophobicContact CD2-CZ2 3.9Å; L963-W969 HydrophobicContact CG-CD2 4.06Å; L963-W969 VanDerWaalsContact CG-CE2 3.4Å; L963-W969 HydrophobicContact CG-CG 4.26Å; L963-W969 HydrophobicContact CG-CZ2 3.74Å; L963-W969 VanDerWaalsContact CG-NE1 3.29Å; L963-R1016 HydrophobicContact CD2-CB 4.19Å |
| 964 | P | 76.5 | Confident | 81.8 | Confident | 52 Ų | 52 | 73 Ų | 73 | 34% | 0.338 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 150.8 | 168.3 | -24.8 | 37.1 | 0 | 0 | 0 | 111.3 | G966 W967 | P964-G966 PolarHBondContact O-N 3.21Å; P964-W967 HydrophobicContact CB-CG 4.41Å; P964-W967 WeakPolarHBondContact O-CB 3.32Å; P964-W967 PolarHBondContact O-N 3.29Å; P964-W967 VanDerWaalsContact O-N 3.09Å |
| 965 | S | 74.3 | Confident | 82.1 | Confident | 114 Ų | 114 | 69.9 Ų | 69.9 | 80% | 0.797 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 129.7 | 179.5 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 966 | G | 70.3 | Confident | 82.4 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -2.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | P964 L1018 G1019 | P964-G966 PolarHBondContact O-N 3.21Å; G966-L1018 WeakPolarHBondContact O-CD1 3.39Å; G966-G1019 PolarHBondContact O-N 3.03Å |
| 967 | W | 81.4 | Confident | 82.8 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 153.2 | -179.9 | -67.5 | 76.3 | 0 | 0 | 0 | 113 | K921 F924 L963 P964 R1016 I1017 L1018 | K921-W967 WeakPolarHBondContact O-CH2 3.45Å; K921-W967 VanDerWaalsContact O-CZ2 3.26Å; K921-W967 WeakPolarHBondContact O-CZ2 3.43Å; F924-W967 HydrophobicContact CB-CH2 3.99Å; F924-W967 HydrophobicContact CB-CZ3 3.94Å; L963-W967 HydrophobicContact CD2-CB 3.76Å; P964-W967 HydrophobicContact CB-CG 4.41Å; P964-W967 WeakPolarHBondContact O-CB 3.32Å; P964-W967 PolarHBondContact O-N 3.29Å; P964-W967 VanDerWaalsContact O-N 3.09Å; W967-R1016 HydrophobicContact CD2-CG 4.43Å; W967-R1016 VanDerWaalsContact CD2-NH1 3.32Å; W967-R1016 HydrophobicContact CE3-CB 3.88Å; W967-R1016 HydrophobicContact CE3-CG 3.61Å; W967-R1016 HydrophobicContact CZ3-CB 4.49Å; W967-R1016 HydrophobicContact CZ3-CG 3.94Å; W967-I1017 CarbonylContact C-O 3.6Å; W967-I1017 WeakPolarHBondContact CA-O 3.44Å; W967-L1018 HydrophobicContact CD2-CB 4.27Å; W967-L1018 HydrophobicContact CD2-CD1 3.85Å; W967-L1018 HydrophobicContact CE3-CB 4.32Å; W967-L1018 HydrophobicContact CG-CD1 3.88Å; W967-L1018 HydrophobicContact CH2-CB 4.41Å; W967-L1018 HydrophobicContact CZ2-CB 4.35Å; W967-L1018 HydrophobicContact CZ2-CD1 4.13Å; W967-L1018 HydrophobicContact CZ3-CB 4.39Å; W967-L1018 VanDerWaalsContact NE1-CD1 3.32Å |
| 968 | T | 82 | Confident | 82.6 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 20% | 0.202 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 155 | 167 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | R1016 I1017 G1019 V1021 | T968-R1016 CarbonylContact O-C 3.55Å; T968-R1016 VanDerWaalsContact O-CA 3.24Å; T968-R1016 WeakPolarHBondContact O-CA 3.45Å; T968-R1016 WeakPolarHBondContact O-CB 3.17Å; T968-I1017 PolarHBondContact N-O 3.34Å; T968-I1017 PolarHBondContact O-N 2.92Å; T968-G1019 VanDerWaalsContact CB-O 3.3Å; T968-G1019 WeakPolarHBondContact CB-O 3.13Å; T968-G1019 WeakPolarHBondContact CG2-O 3.28Å; T968-G1019 PolarHBondContact OG1-O 3.4Å; T968-V1021 WeakPolarHBondContact OG1-CG2 3.31Å |
| 969 | W | 86.3 | Confident | 82.5 | Confident | 54 Ų | 54 | 77 Ų | 77 | 21% | 0.205 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 125.3 | 175.2 | -65.3 | 120.5 | 0 | 0 | 0 | 110.1 | E926 V961 L963 R1014 R1016 V1021 | E926-W969 HydrophobicContact CB-CH2 4.1Å; E926-W969 HydrophobicContact CB-CZ3 3.83Å; E926-W969 HydrophobicContact CG-CH2 4.1Å; E926-W969 HydrophobicContact CG-CZ3 4.35Å; V961-W969 HydrophobicContact CG1-CH2 4.03Å; V961-W969 HydrophobicContact CG1-CZ2 4.17Å; L963-W969 HydrophobicContact CD1-CD2 4.32Å; L963-W969 HydrophobicContact CD1-CG 3.98Å; L963-W969 VanDerWaalsContact CD1-NE1 3.25Å; L963-W969 HydrophobicContact CD2-CD2 3.82Å; L963-W969 HydrophobicContact CD2-CE3 4.33Å; L963-W969 HydrophobicContact CD2-CG 4.16Å; L963-W969 HydrophobicContact CD2-CH2 4.41Å; L963-W969 HydrophobicContact CD2-CZ2 3.9Å; L963-W969 HydrophobicContact CG-CD2 4.06Å; L963-W969 VanDerWaalsContact CG-CE2 3.4Å; L963-W969 HydrophobicContact CG-CG 4.26Å; L963-W969 HydrophobicContact CG-CZ2 3.74Å; L963-W969 VanDerWaalsContact CG-NE1 3.29Å; W969-R1014 VanDerWaalsContact CD2-NE 3.26Å; W969-R1014 HydrophobicContact CE3-CG 3.88Å; W969-R1014 HydrophobicContact CZ3-CG 4.36Å; W969-R1016 HydrophobicContact CE3-CB 3.68Å; W969-R1016 HydrophobicContact CZ3-CB 3.73Å; W969-R1016 HydrophobicContact CZ3-CG 4.1Å; W969-V1021 WeakPolarHBondContact O-CG2 3.4Å |
| 970 | A | 80.6 | Confident | 82.6 | Confident | 31 Ų | 31 | 75 Ų | 75 | 26% | 0.256 | 40% | 0.399 | S | S | . | . | trans | -79.5 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1015 I1017 | A970-S1015 PolarHBondContact N-O 3.11Å; A970-I1017 HydrophobicContact CB-CD1 4.05Å; A970-I1017 HydrophobicContact CB-CG1 4.07Å; A970-I1017 HydrophobicContact CB-CG2 4.17Å | ||
| 971 | D | 82.6 | Confident | 82.9 | Confident | 69 Ų | 69 | 73 Ų | 73 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -133.8 | 169.3 | -171.8 | -75.8 | 30.6 | 0 | 0 | 0 | 110.7 | K974 R1014 | D971-K974 IonicContact OD2-NZ 3.92Å; D971-K974 PolarHBondContact OD2-NZ 2.75Å; D971-R1014 WeakPolarHBondContact O-CD 3.37Å; D971-R1014 WeakPolarHBondContact O-CG 3.11Å |
| 972 | D | 87.9 | Confident | 83.4 | Confident | 130 Ų | 130 | 73.7 Ų | 73.7 | 70% | 0.695 | 39% | 0.391 | S | S | * | . | trans | -83 | 165.9 | 162.3 | -73.4 | -40.1 | 0 | 0 | 0 | 111.8 | K974 | D972-K974 PolarHBondContact O-N 3.14Š| ||
| 973 | W | 90.1 | Very high | 83.8 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 16% | 0.159 | 39% | 0.393 | C | S | . | . | trans | -63.4 | 129.1 | 175.6 | -72.1 | 98.8 | 0 | 0 | 0 | 111.9 | E926 L928 P958 V961 L1012 I1013 R1014 | E926-W973 HydrophobicContact CB-CH2 4.21Å; E926-W973 HydrophobicContact CG-CH2 4.12Å; L928-W973 HydrophobicContact CB-CE3 4.42Å; L928-W973 HydrophobicContact CB-CH2 3.52Å; L928-W973 HydrophobicContact CB-CZ2 4.38Å; L928-W973 HydrophobicContact CB-CZ3 3.55Å; L928-W973 HydrophobicContact CD1-CH2 4.08Å; L928-W973 HydrophobicContact CD1-CZ2 4.29Å; L928-W973 HydrophobicContact CG-CH2 4.39Å; P958-W973 VanDerWaalsContact CB-CD1 3.42Å; P958-W973 HydrophobicContact CB-CD2 4.08Å; P958-W973 HydrophobicContact CB-CG 3.86Å; P958-W973 VanDerWaalsContact CB-NE1 3.35Å; P958-W973 PolarHBondContact O-NE1 2.87Å; V961-W973 HydrophobicContact CB-CZ2 4.38Å; V961-W973 HydrophobicContact CG2-CZ2 3.96Å; W973-L1012 HydrophobicContact CD2-CB 4.49Å; W973-L1012 HydrophobicContact CE3-CB 3.62Å; W973-L1012 HydrophobicContact CZ3-CB 4.13Å; W973-L1012 WeakPolarHBondContact CZ3-O 3.18Å; W973-I1013 WeakPolarHBondContact CA-O 3.27Å; W973-R1014 HydrophobicContact CD2-CB 3.66Å; W973-R1014 HydrophobicContact CE3-CB 3.72Å; W973-R1014 HydrophobicContact CG-CB 4.07Å; W973-R1014 HydrophobicContact CH2-CB 4.42Å; W973-R1014 HydrophobicContact CZ2-CB 4.37Å; W973-R1014 HydrophobicContact CZ3-CB 4.11Å | ||
| 974 | K | 91.1 | Very high | 84.3 | Confident | 115 Ų | 115 | 75.8 Ų | 75.8 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153.2 | 178.7 | -64.6 | 168.2 | -171.9 | 165.8 | 0 | 110.5 | D971 D972 L1012 I1013 | D971-K974 IonicContact OD2-NZ 3.92Å; D971-K974 PolarHBondContact OD2-NZ 2.75Å; D972-K974 PolarHBondContact O-N 3.14Å; K974-L1012 CarbonylContact O-C 3.56Å; K974-L1012 VanDerWaalsContact O-CA 3.3Å; K974-L1012 WeakPolarHBondContact O-CA 3.5Å; K974-I1013 PolarHBondContact N-O 3.22Å; K974-I1013 PolarHBondContact O-N 2.86Å |
| 975 | I | 90.2 | Very high | 84.9 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 26% | 0.256 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.6 | 171.8 | -61.4 | 172.3 | 0 | 0 | 0 | 108.5 | Y977 L1012 | I975-Y977 HydrophobicContact CB-CD2 4.46Å; I975-Y977 HydrophobicContact CB-CE2 3.84Å; I975-Y977 HydrophobicContact CG2-CD1 4.48Å; I975-Y977 HydrophobicContact CG2-CD2 4.28Å; I975-Y977 HydrophobicContact CG2-CE1 4.06Å; I975-Y977 HydrophobicContact CG2-CE2 3.84Å; I975-Y977 WeakPolarHBondContact O-CD2 3.14Å; I975-Y977 PolarHBondContact O-N 2.97Å; I975-L1012 HydrophobicContact CG1-CD2 3.93Å |
| 976 | D | 87.2 | Confident | 85.9 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.064 | 35% | 0.351 | C | S | . | . | trans | -86.8 | 104.8 | 177.4 | 178.6 | 25.7 | 0 | 0 | 0 | 111.8 | N978 R979 R1011 I1013 | D976-N978 WeakPolarHBondContact OD1-CB 3.49Å; D976-N978 PolarHBondContact OD1-N 2.97Å; D976-R979 WeakPolarHBondContact OD2-CD 3.46Å; D976-R979 WeakPolarHBondContact OD2-CG 3.29Å; D976-R1011 HydrophobicContact CB-CB 4.25Å; D976-R1011 HydrophobicContact CB-CG 4.3Å; D976-R1011 PolarHBondContact N-O 2.71Å; D976-R1011 IonicContact OD2-CZ 3.76Å; D976-R1011 IonicContact OD2-NE 2.73Å; D976-R1011 IonicContact OD2-NH1 3.65Å; D976-R1011 PolarHBondContact OD2-NH1 2.95Å; D976-I1013 HydrophobicContact CB-CD1 3.92Å; D976-I1013 HydrophobicContact CB-CG1 4.08Å; D976-I1013 HydrophobicContact CB-CG2 4.11Å | ||
| 977 | Y | 87.7 | Confident | 86.9 | Confident | 128 Ų | 128 | 67.1 Ų | 67.1 | 50% | 0.502 | 34% | 0.336 | S | S | . | . | trans | -90.7 | -2.6 | 176.4 | -64.7 | -78.8 | 0 | 0 | 0 | 113.8 | I975 R979 | I975-Y977 HydrophobicContact CB-CD2 4.46Å; I975-Y977 HydrophobicContact CB-CE2 3.84Å; I975-Y977 HydrophobicContact CG2-CD1 4.48Å; I975-Y977 HydrophobicContact CG2-CD2 4.28Å; I975-Y977 HydrophobicContact CG2-CE1 4.06Å; I975-Y977 HydrophobicContact CG2-CE2 3.84Å; I975-Y977 WeakPolarHBondContact O-CD2 3.14Å; I975-Y977 PolarHBondContact O-N 2.97Å; Y977-R979 PolarHBondContact O-N 2.84Å | ||
| 978 | N | 80.8 | Confident | 87.4 | Confident | 157 Ų | 157 | 66.3 Ų | 66.3 | 84% | 0.84 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -80.2 | 25.2 | -178.5 | -70.5 | -27.7 | 0 | 0 | 0 | 113 | D976 | D976-N978 WeakPolarHBondContact OD1-CB 3.49Å; D976-N978 PolarHBondContact OD1-N 2.97Å |
| 979 | R | 80.7 | Confident | 87.7 | Confident | 93 Ų | 93 | 64.9 Ų | 64.9 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -141.7 | 158 | -177.5 | -58.3 | -176.1 | 66.7 | -111 | -5 | 109.4 | D976 Y977 C981 E987 | D976-R979 WeakPolarHBondContact OD2-CD 3.46Å; D976-R979 WeakPolarHBondContact OD2-CG 3.29Å; Y977-R979 PolarHBondContact O-N 2.84Å; R979-C981 PolarHBondContact O-N 3.46Å; R979-C981 PolarHBondContact O-SG 3.33Å; R979-E987 IonicContact CZ-OE2 3.62Å; R979-E987 IonicContact NH1-OE1 3.48Å; R979-E987 IonicContact NH1-OE2 3.1Å; R979-E987 PolarHBondContact NH1-OE2 3.39Å; R979-E987 IonicContact NH2-OE2 2.69Å |
| 980 | P | 82.6 | Confident | 87.6 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -62.5 | 102 | 176.1 | -20.6 | 33 | 0 | 0 | 0 | 111.6 | A999 | P980-A999 HydrophobicContact CB-CB 3.99Š|
| 981 | C | 90 | Very high | 87.5 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | trans | -143.2 | 170 | 177.9 | 56.9 | 0 | 0 | 0 | 0 | 110 | R979 F986 | R979-C981 PolarHBondContact O-N 3.46Å; R979-C981 PolarHBondContact O-SG 3.33Å; C981-F986 WeakPolarHBondContact CA-O 3.38Å; C981-F986 WeakPolarHBondContact CB-O 3.46Å | ||
| 982 | D | 90.9 | Very high | 87 | Confident | 38 Ų | 38 | 68 Ų | 68 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | trans | -79.2 | -176.2 | 173 | 70.3 | 7.1 | 0 | 0 | 0 | 112.8 | D984 G985 F986 Y988 | D982-D984 PolarHBondContact O-N 2.83Å; D982-D984 WeakPolarHBondContact OD1-CA 3.32Å; D982-D984 PolarHBondContact OD1-N 2.8Å; D982-G985 PolarHBondContact O-N 3.35Å; D982-G985 PolarHBondContact OD1-N 3.44Å; D982-F986 PolarHBondContact N-O 2.83Å; D982-F986 PolarHBondContact OD1-N 3.01Å; D982-Y988 HydrophobicContact CB-CE2 4.21Å; D982-Y988 VanDerWaalsContact OD2-CE2 3.31Å; D982-Y988 WeakPolarHBondContact OD2-CE2 3.17Å; D982-Y988 VanDerWaalsContact OD2-CZ 3.27Å; D982-Y988 PolarHBondContact OD2-OH 2.8Å | ||
| 983 | E | 88.2 | Confident | 86 | Confident | 185 Ų | 185 | 64.9 Ų | 64.9 | 86% | 0.864 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.9 | -179.5 | -62.8 | -173.5 | 171.2 | 0 | 0 | 113.4 | ||
| 984 | D | 89.7 | Confident | 84.7 | Confident | 101 Ų | 101 | 67 Ų | 67 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.3 | 178 | -70.9 | -36.4 | 0 | 0 | 0 | 112.7 | D982 F986 | D982-D984 PolarHBondContact O-N 2.83Å; D982-D984 WeakPolarHBondContact OD1-CA 3.32Å; D982-D984 PolarHBondContact OD1-N 2.8Å; D984-F986 HydrophobicContact CB-CD2 3.8Å; D984-F986 HydrophobicContact CB-CE2 4.25Å |
| 985 | G | 88.7 | Confident | 83.4 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 81.1 | 14.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D982 R1010 | D982-G985 PolarHBondContact O-N 3.35Å; D982-G985 PolarHBondContact OD1-N 3.44Å; G985-R1010 WeakPolarHBondContact O-CA 3.48Å; G985-R1010 WeakPolarHBondContact O-CB 3.41Å |
| 986 | F | 94 | Very high | 82.7 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 142 | 176.9 | -75.3 | -81.6 | 0 | 0 | 0 | 112.3 | Y930 E932 C981 D982 D984 Y988 R1008 R1009 R1010 | Y930-F986 HydrophobicContact CD1-CE1 4.16Å; Y930-F986 HydrophobicContact CD1-CZ 4.26Å; Y930-F986 HydrophobicContact CE1-CE1 4.34Å; Y930-F986 HydrophobicContact CE1-CZ 4.15Å; E932-F986 HydrophobicContact CG-CE1 4.29Å; C981-F986 WeakPolarHBondContact CA-O 3.38Å; C981-F986 WeakPolarHBondContact CB-O 3.46Å; D982-F986 PolarHBondContact N-O 2.83Å; D982-F986 PolarHBondContact OD1-N 3.01Å; D984-F986 HydrophobicContact CB-CD2 3.8Å; D984-F986 HydrophobicContact CB-CE2 4.25Å; F986-Y988 HydrophobicContact CB-CE2 4.19Å; F986-R1008 HydrophobicContact CB-CB 4.35Å; F986-R1008 HydrophobicContact CB-CG 4.48Å; F986-R1008 HydrophobicContact CD1-CB 3.93Å; F986-R1008 VanDerWaalsContact CD1-CD 3.47Å; F986-R1008 HydrophobicContact CD1-CG 3.45Å; F986-R1008 VanDerWaalsContact CD1-CG 3.45Å; F986-R1008 HydrophobicContact CE1-CG 3.82Å; F986-R1008 HydrophobicContact CG-CB 4.46Å; F986-R1008 HydrophobicContact CG-CG 4.11Å; F986-R1009 CarbonylContact C-O 3.58Å; F986-R1009 WeakPolarHBondContact CA-O 3.19Å; F986-R1010 HydrophobicContact CD1-CB 3.96Å; F986-R1010 HydrophobicContact CD1-CG 4.5Å; F986-R1010 HydrophobicContact CE1-CB 4.03Å; F986-R1010 HydrophobicContact CE1-CG 4.07Å; F986-R1010 HydrophobicContact CG-CB 4.33Å; F986-R1010 HydrophobicContact CZ-CB 4.45Å; F986-R1010 HydrophobicContact CZ-CG 4.32Å |
| 987 | E | 92.2 | Very high | 82.6 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.2 | 166.5 | 60.6 | 179.4 | -165 | 0 | 0 | 109 | R979 Y997 R1008 R1009 | R979-E987 IonicContact CZ-OE2 3.62Å; R979-E987 IonicContact NH1-OE1 3.48Å; R979-E987 IonicContact NH1-OE2 3.1Å; R979-E987 PolarHBondContact NH1-OE2 3.39Å; R979-E987 IonicContact NH2-OE2 2.69Å; E987-Y997 HydrophobicContact CB-CD1 4.31Å; E987-Y997 HydrophobicContact CG-CD1 3.75Å; E987-Y997 HydrophobicContact CG-CG 3.99Å; E987-Y997 WeakPolarHBondContact O-CD1 3.26Å; E987-R1008 CarbonylContact O-C 3.59Å; E987-R1008 WeakPolarHBondContact O-CA 3.13Å; E987-R1008 WeakPolarHBondContact O-CB 3.47Å; E987-R1009 HydrophobicContact CG-CG 3.7Å; E987-R1009 WeakPolarHBondContact CG-O 3.22Å; E987-R1009 PolarHBondContact N-O 3.04Å; E987-R1009 PolarHBondContact O-N 2.75Å; E987-R1009 IonicContact OE1-CZ 2.69Å; E987-R1009 IonicContact OE1-NE 2.63Å; E987-R1009 PolarHBondContact OE1-NE 2.87Å; E987-R1009 IonicContact OE1-NH2 3.01Å; E987-R1009 PolarHBondContact OE1-NH2 2.78Å |
| 988 | Y | 92.1 | Very high | 82.6 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 142.9 | -165.2 | -63.1 | -92.6 | 0 | 0 | 0 | 112.6 | W940 D982 F986 Y997 V998 E1001 H1005 R1008 | W940-Y988 HydrophobicContact CH2-CD1 4.08Å; W940-Y988 HydrophobicContact CH2-CE1 4.31Å; W940-Y988 AromaticContact CZ2-CD1 3.7Å; W940-Y988 HydrophobicContact CZ2-CD1 3.7Å; W940-Y988 AromaticContact CZ2-CE1 3.56Å; W940-Y988 HydrophobicContact CZ2-CE1 3.56Å; D982-Y988 HydrophobicContact CB-CE2 4.21Å; D982-Y988 VanDerWaalsContact OD2-CE2 3.31Å; D982-Y988 WeakPolarHBondContact OD2-CE2 3.17Å; D982-Y988 VanDerWaalsContact OD2-CZ 3.27Å; D982-Y988 PolarHBondContact OD2-OH 2.8Å; F986-Y988 HydrophobicContact CB-CE2 4.19Å; Y988-Y997 CarbonylContact O-C 3.59Å; Y988-Y997 VanDerWaalsContact O-CA 3.24Å; Y988-Y997 WeakPolarHBondContact O-CA 3.47Å; Y988-V998 PolarHBondContact N-O 2.89Å; Y988-V998 PolarHBondContact O-N 3.17Å; Y988-E1001 HydrophobicContact CD1-CB 4.01Å; Y988-E1001 HydrophobicContact CD1-CG 3.8Å; Y988-E1001 HydrophobicContact CD2-CB 4.26Å; Y988-E1001 HydrophobicContact CE1-CB 3.67Å; Y988-E1001 HydrophobicContact CE1-CG 3.51Å; Y988-E1001 HydrophobicContact CE2-CB 3.97Å; Y988-E1001 HydrophobicContact CG-CB 4.3Å; Y988-H1005 WeakPolarHBondContact CB-ND1 3.13Å; Y988-H1005 HydrophobicContact CD1-CB 4.38Å; Y988-H1005 AromaticContact CG-ND1 3.97Å; Y988-R1008 HydrophobicContact CD1-CB 3.72Å; Y988-R1008 HydrophobicContact CE1-CB 3.86Å; Y988-R1008 HydrophobicContact CE1-CG 4.43Å; Y988-R1008 HydrophobicContact CG-CB 4.36Å |
| 989 | T | 88.9 | Confident | 83 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 159.9 | 173.4 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | E991 G996 Y997 H1005 M1006 F1007 | T989-E991 WeakPolarHBondContact CG2-O 3.41Å; T989-E991 PolarHBondContact OG1-O 3.13Å; T989-G996 VanDerWaalsContact CB-O 3.24Å; T989-G996 WeakPolarHBondContact CB-O 3.47Å; T989-G996 PolarHBondContact OG1-O 2.77Å; T989-Y997 HydrophobicContact CG2-CD1 3.87Å; T989-Y997 HydrophobicContact CG2-CE1 3.32Å; T989-Y997 HydrophobicContact CG2-CE2 4.15Å; T989-Y997 HydrophobicContact CG2-CG 4.5Å; T989-Y997 VanDerWaalsContact CG2-CZ 3.48Å; T989-H1005 WeakPolarHBondContact O-CA 3.27Å; T989-H1005 WeakPolarHBondContact O-CB 3.16Å; T989-M1006 PolarHBondContact O-N 3.4Å; T989-F1007 HydrophobicContact CG2-CB 3.75Å; T989-F1007 PolarHBondContact N-O 2.74Å; T989-F1007 PolarHBondContact O-N 2.78Å; T989-F1007 VanDerWaalsContact O-N 3.14Å |
| 990 | V | 83.5 | Confident | 83.3 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -68.4 | -43 | 172 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | Y1004 | V990-Y1004 HydrophobicContact CG2-CD2 3.76Å; V990-Y1004 HydrophobicContact CG2-CE2 3.82Å |
| 991 | E | 78.4 | Confident | 83.5 | Confident | 106 Ų | 106 | 54.3 Ų | 54.3 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | trans | -146.7 | 126.8 | -175.1 | -163.7 | -177.7 | 164.7 | 0 | 0 | 110.6 | T989 S993 T994 | T989-E991 WeakPolarHBondContact CG2-O 3.41Å; T989-E991 PolarHBondContact OG1-O 3.13Å; E991-S993 VanDerWaalsContact CG-OG 3.28Å; E991-S993 WeakPolarHBondContact CG-OG 3.26Å; E991-S993 PolarHBondContact O-N 2.95Å; E991-S993 PolarHBondContact OE1-OG 3.26Å; E991-T994 HydrophobicContact CB-CG2 4.22Å; E991-T994 PolarHBondContact O-N 2.95Å; E991-T994 PolarHBondContact O-OG1 3.31Å | ||
| 992 | A | 71.7 | Confident | 83.4 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -56.8 | -29.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | F1007 | A992-F1007 HydrophobicContact CB-CB 4.34Å; A992-F1007 HydrophobicContact CB-CD1 3.88Å; A992-F1007 HydrophobicContact CB-CD2 4.49Å; A992-F1007 HydrophobicContact CB-CE1 4.26Å; A992-F1007 HydrophobicContact CB-CG 3.99Å |
| 993 | S | 66.8 | Low | 83 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -71.2 | -22.7 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | E991 | E991-S993 VanDerWaalsContact CG-OG 3.28Å; E991-S993 WeakPolarHBondContact CG-OG 3.26Å; E991-S993 PolarHBondContact O-N 2.95Å; E991-S993 PolarHBondContact OE1-OG 3.26Å |
| 994 | T | 63.8 | Low | 82.8 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -83.8 | -8.5 | -173.7 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | E991 G996 | E991-T994 HydrophobicContact CB-CG2 4.22Å; E991-T994 PolarHBondContact O-N 2.95Å; E991-T994 PolarHBondContact O-OG1 3.31Å; T994-G996 PolarHBondContact O-N 2.79Å |
| 995 | G | 63 | Low | 82.8 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | trans | 68 | -13.8 | 173 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y997 | G995-Y997 WeakPolarHBondContact O-CD2 3.44Å; G995-Y997 PolarHBondContact O-N 3.12Å | ||
| 996 | G | 75 | Confident | 82.9 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | trans | -81.7 | 98.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T989 T994 | T989-G996 VanDerWaalsContact CB-O 3.24Å; T989-G996 WeakPolarHBondContact CB-O 3.47Å; T989-G996 PolarHBondContact OG1-O 2.77Å; T994-G996 PolarHBondContact O-N 2.79Å | ||
| 997 | Y | 86.6 | Confident | 82.7 | Confident | 37 Ų | 37 | 60 Ų | 60 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | trans | -104 | 142.9 | 175.2 | -69.6 | -98.1 | 0 | 0 | 0 | 111.4 | E987 Y988 T989 G995 R1009 | E987-Y997 HydrophobicContact CB-CD1 4.31Å; E987-Y997 HydrophobicContact CG-CD1 3.75Å; E987-Y997 HydrophobicContact CG-CG 3.99Å; E987-Y997 WeakPolarHBondContact O-CD1 3.26Å; Y988-Y997 CarbonylContact O-C 3.59Å; Y988-Y997 VanDerWaalsContact O-CA 3.24Å; Y988-Y997 WeakPolarHBondContact O-CA 3.47Å; T989-Y997 HydrophobicContact CG2-CD1 3.87Å; T989-Y997 HydrophobicContact CG2-CE1 3.32Å; T989-Y997 HydrophobicContact CG2-CE2 4.15Å; T989-Y997 HydrophobicContact CG2-CG 4.5Å; T989-Y997 VanDerWaalsContact CG2-CZ 3.48Å; G995-Y997 WeakPolarHBondContact O-CD2 3.44Å; G995-Y997 PolarHBondContact O-N 3.12Å; Y997-R1009 HydrophobicContact CD1-CG 3.91Å; Y997-R1009 VanDerWaalsContact CD2-CZ 3.41Å; Y997-R1009 VanDerWaalsContact CD2-NH2 3.29Å; Y997-R1009 HydrophobicContact CE1-CB 4.31Å; Y997-R1009 VanDerWaalsContact CE1-CD 3.48Å; Y997-R1009 HydrophobicContact CE1-CG 3.49Å; Y997-R1009 VanDerWaalsContact CE1-CG 3.49Å; Y997-R1009 VanDerWaalsContact CE2-NE 3.33Å; Y997-R1009 VanDerWaalsContact CZ-NE 3.29Å | ||
| 998 | V | 87.6 | Confident | 82.8 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -128.9 | 153.1 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | Y988 A1000 H1005 | Y988-V998 PolarHBondContact N-O 2.89Å; Y988-V998 PolarHBondContact O-N 3.17Å; V998-A1000 PolarHBondContact O-N 2.84Å; V998-H1005 WeakPolarHBondContact CG2-CE1 3.27Å |
| 999 | A | 88.6 | Confident | 82.8 | Confident | 34 Ų | 34 | 62 Ų | 62 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -70.5 | -29.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P980 | P980-A999 HydrophobicContact CB-CB 3.99Š|
| 1000 | A | 87.8 | Confident | 83 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -95.8 | 126.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V998 H1005 | V998-A1000 PolarHBondContact O-N 2.84Å; A1000-H1005 PolarHBondContact O-CE1 2.77Å; A1000-H1005 VanDerWaalsContact O-CE1 3.31Å; A1000-H1005 PolarHBondContact O-ND1 2.87Å |
| 1001 | E | 86.6 | Confident | 83.5 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | trans | -62.2 | 135.9 | 172.1 | -168.3 | -175.9 | 129.4 | 0 | 0 | 111 | R934 W940 Y988 | R934-E1001 IonicContact CZ-OE1 3.36Å; R934-E1001 IonicContact NH1-OE1 3.69Å; R934-E1001 PolarHBondContact NH1-OE1 2.77Å; R934-E1001 IonicContact NH1-OE2 2.9Å; R934-E1001 VanDerWaalsContact NH2-CD 3.33Å; R934-E1001 IonicContact NH2-OE1 2.63Å; R934-E1001 PolarHBondContact NH2-OE1 3.06Å; W940-E1001 PolarHBondContact NE1-OE2 2.78Å; Y988-E1001 HydrophobicContact CD1-CB 4.01Å; Y988-E1001 HydrophobicContact CD1-CG 3.8Å; Y988-E1001 HydrophobicContact CD2-CB 4.26Å; Y988-E1001 HydrophobicContact CE1-CB 3.67Å; Y988-E1001 HydrophobicContact CE1-CG 3.51Å; Y988-E1001 HydrophobicContact CE2-CB 3.97Å; Y988-E1001 HydrophobicContact CG-CB 4.3Å | ||
| 1002 | K | 87.7 | Confident | 84.1 | Confident | 97 Ų | 97 | 59.7 Ų | 59.7 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | trans | -129 | 151.8 | 170.3 | -62 | -178.9 | 177.8 | 179.4 | 0 | 109.1 | R934 Y1004 H1005 | R934-K1002 PolarHBondContact NH2-O 3.16Å; R934-K1002 VanDerWaalsContact NH2-O 3.07Å; K1002-Y1004 HydrophobicContact CB-CD1 4.13Å; K1002-Y1004 HydrophobicContact CB-CE1 3.78Å; K1002-Y1004 HydrophobicContact CB-CE2 4.3Å; K1002-Y1004 HydrophobicContact CD-CE1 3.73Å; K1002-Y1004 HydrophobicContact CD-CE2 4.24Å; K1002-Y1004 WeakPolarHBondContact CD-OH 3.21Å; K1002-Y1004 HydrophobicContact CG-CE1 4.38Å; K1002-Y1004 PolarHBondContact NZ-OH 3.34Å; K1002-Y1004 PolarHBondContact O-N 3.33Å; K1002-H1005 PolarHBondContact N-ND1 3.21Å; K1002-H1005 WeakPolarHBondContact O-CB 3.1Å; K1002-H1005 PolarHBondContact O-N 2.89Å | ||
| 1003 | L | 82.2 | Confident | 85.1 | Confident | 146 Ų | 146 | 59.7 Ų | 59.7 | 76% | 0.764 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.6 | -175.9 | -78.6 | 163.5 | 0 | 0 | 0 | 114 | ||
| 1004 | Y | 84.4 | Confident | 86.2 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 49% | 0.49 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -3.2 | -180 | 59 | -103 | 0 | 0 | 0 | 113.8 | V990 K1002 M1006 | V990-Y1004 HydrophobicContact CG2-CD2 3.76Å; V990-Y1004 HydrophobicContact CG2-CE2 3.82Å; K1002-Y1004 HydrophobicContact CB-CD1 4.13Å; K1002-Y1004 HydrophobicContact CB-CE1 3.78Å; K1002-Y1004 HydrophobicContact CB-CE2 4.3Å; K1002-Y1004 HydrophobicContact CD-CE1 3.73Å; K1002-Y1004 HydrophobicContact CD-CE2 4.24Å; K1002-Y1004 WeakPolarHBondContact CD-OH 3.21Å; K1002-Y1004 HydrophobicContact CG-CE1 4.38Å; K1002-Y1004 PolarHBondContact NZ-OH 3.34Å; K1002-Y1004 PolarHBondContact O-N 3.33Å; Y1004-M1006 PolarHBondContact O-N 2.84Å |
| 1005 | H | 89.2 | Confident | 87.3 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | trans | -73.1 | 119.1 | 172.6 | -64.2 | 156.2 | 0 | 0 | 0 | 109.5 | R934 Y988 T989 V998 A1000 K1002 | R934-H1005 PolarHBondContact NE-O 2.87Å; R934-H1005 PolarHBondContact NH2-O 2.95Å; Y988-H1005 WeakPolarHBondContact CB-ND1 3.13Å; Y988-H1005 HydrophobicContact CD1-CB 4.38Å; Y988-H1005 AromaticContact CG-ND1 3.97Å; T989-H1005 WeakPolarHBondContact O-CA 3.27Å; T989-H1005 WeakPolarHBondContact O-CB 3.16Å; V998-H1005 WeakPolarHBondContact CG2-CE1 3.27Å; A1000-H1005 PolarHBondContact O-CE1 2.77Å; A1000-H1005 VanDerWaalsContact O-CE1 3.31Å; A1000-H1005 PolarHBondContact O-ND1 2.87Å; K1002-H1005 PolarHBondContact N-ND1 3.21Å; K1002-H1005 WeakPolarHBondContact O-CB 3.1Å; K1002-H1005 PolarHBondContact O-N 2.89Å | ||
| 1006 | M | 89.9 | Confident | 88.4 | Confident | 61 Ų | 61 | 53.2 Ų | 53.2 | 30% | 0.3 | 28% | 0.277 | S | S | . | . | trans | -101.4 | -15.7 | -179.2 | -67.8 | 177.3 | 53.3 | 0 | 0 | 112.1 | F933 R934 W940 T989 Y1004 | F933-M1006 CarbonylContact C-O 3.6Å; F933-M1006 VanDerWaalsContact CA-O 3.3Å; F933-M1006 WeakPolarHBondContact CA-O 3.48Å; F933-M1006 HydrophobicContact CD2-CB 4.48Å; F933-M1006 VanDerWaalsContact CD2-O 3.22Å; F933-M1006 WeakPolarHBondContact CD2-O 3.14Å; F933-M1006 HydrophobicContact CE2-CB 4.18Å; F933-M1006 HydrophobicContact CE2-CE 3.67Å; F933-M1006 HydrophobicContact CZ-CE 4.06Å; R934-M1006 PolarHBondContact N-O 2.83Å; R934-M1006 WeakPolarHBondContact O-CA 3.23Å; R934-M1006 VanDerWaalsContact O-CB 3.23Å; R934-M1006 WeakPolarHBondContact O-CB 3.26Å; W940-M1006 WeakPolarHBondContact CZ3-O 3.5Å; T989-M1006 PolarHBondContact O-N 3.4Å; Y1004-M1006 PolarHBondContact O-N 2.84Å | ||
| 1007 | F | 91.7 | Very high | 88.6 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.9 | 178.4 | -70 | -93.1 | 0 | 0 | 0 | 110.3 | E932 F933 T989 A992 | E932-F1007 WeakPolarHBondContact O-CA 3.43Å; F933-F1007 HydrophobicContact CB-CD1 4.08Å; F933-F1007 HydrophobicContact CB-CE1 3.91Å; F933-F1007 AromaticContact CD2-CD1 3.98Å; F933-F1007 HydrophobicContact CD2-CD1 3.98Å; F933-F1007 HydrophobicContact CD2-CD2 4.07Å; F933-F1007 AromaticContact CD2-CE1 3.52Å; F933-F1007 HydrophobicContact CD2-CE1 3.52Å; F933-F1007 AromaticContact CD2-CE2 3.61Å; F933-F1007 HydrophobicContact CD2-CE2 3.61Å; F933-F1007 HydrophobicContact CD2-CG 4.25Å; F933-F1007 AromaticContact CD2-CZ 3.31Å; F933-F1007 HydrophobicContact CD2-CZ 3.31Å; F933-F1007 HydrophobicContact CE2-CE1 4.44Å; F933-F1007 AromaticContact CE2-CE2 3.88Å; F933-F1007 HydrophobicContact CE2-CE2 3.88Å; F933-F1007 AromaticContact CE2-CZ 3.81Å; F933-F1007 HydrophobicContact CE2-CZ 3.81Å; F933-F1007 HydrophobicContact CG-CE1 4.06Å; F933-F1007 HydrophobicContact CG-CZ 4.23Å; T989-F1007 HydrophobicContact CG2-CB 3.75Å; T989-F1007 PolarHBondContact N-O 2.74Å; T989-F1007 PolarHBondContact O-N 2.78Å; T989-F1007 VanDerWaalsContact O-N 3.14Å; A992-F1007 HydrophobicContact CB-CB 4.34Å; A992-F1007 HydrophobicContact CB-CD1 3.88Å; A992-F1007 HydrophobicContact CB-CD2 4.49Å; A992-F1007 HydrophobicContact CB-CE1 4.26Å; A992-F1007 HydrophobicContact CB-CG 3.99Å |
| 1008 | R | 92.9 | Very high | 87.9 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 13% | 0.125 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.5 | 166.8 | 69 | 179 | -176.5 | 171.6 | 3.1 | 109.3 | E932 W940 F986 E987 Y988 | E932-R1008 HydrophobicContact CB-CG 3.86Å; E932-R1008 PolarHBondContact N-O 2.99Å; E932-R1008 PolarHBondContact O-N 2.99Å; E932-R1008 VanDerWaalsContact O-O 3.13Å; E932-R1008 IonicContact OE2-CZ 3.25Å; E932-R1008 IonicContact OE2-NE 2.78Å; E932-R1008 PolarHBondContact OE2-NE 2.86Å; E932-R1008 IonicContact OE2-NH2 3.36Å; E932-R1008 PolarHBondContact OE2-NH2 3.32Å; W940-R1008 HydrophobicContact CD2-CG 3.91Å; W940-R1008 HydrophobicContact CE3-CB 4.43Å; W940-R1008 HydrophobicContact CE3-CG 3.65Å; W940-R1008 HydrophobicContact CH2-CB 3.78Å; W940-R1008 HydrophobicContact CH2-CG 3.88Å; W940-R1008 HydrophobicContact CZ2-CB 4.18Å; W940-R1008 HydrophobicContact CZ2-CG 4.12Å; W940-R1008 HydrophobicContact CZ3-CB 3.92Å; W940-R1008 HydrophobicContact CZ3-CG 3.63Å; F986-R1008 HydrophobicContact CB-CB 4.35Å; F986-R1008 HydrophobicContact CB-CG 4.48Å; F986-R1008 HydrophobicContact CD1-CB 3.93Å; F986-R1008 VanDerWaalsContact CD1-CD 3.47Å; F986-R1008 HydrophobicContact CD1-CG 3.45Å; F986-R1008 VanDerWaalsContact CD1-CG 3.45Å; F986-R1008 HydrophobicContact CE1-CG 3.82Å; F986-R1008 HydrophobicContact CG-CB 4.46Å; F986-R1008 HydrophobicContact CG-CG 4.11Å; E987-R1008 CarbonylContact O-C 3.59Å; E987-R1008 WeakPolarHBondContact O-CA 3.13Å; E987-R1008 WeakPolarHBondContact O-CB 3.47Å; Y988-R1008 HydrophobicContact CD1-CB 3.72Å; Y988-R1008 HydrophobicContact CE1-CB 3.86Å; Y988-R1008 HydrophobicContact CE1-CG 4.43Å; Y988-R1008 HydrophobicContact CG-CB 4.36Å |
| 1009 | R | 93.3 | Very high | 86.9 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.7 | 173.7 | 68.6 | -175.5 | -176.9 | 177.8 | 5.2 | 110.7 | F929 Y930 N931 A950 F986 E987 Y997 | F929-R1009 HydrophobicContact CD1-CB 4.41Å; F929-R1009 HydrophobicContact CD1-CG 3.84Å; Y930-R1009 CarbonylContact O-C 3.44Å; Y930-R1009 WeakPolarHBondContact O-CA 3.39Å; N931-R1009 WeakPolarHBondContact OD1-CB 3.38Å; A950-R1009 PolarHBondContact O-NH1 3.42Å; F986-R1009 CarbonylContact C-O 3.58Å; F986-R1009 WeakPolarHBondContact CA-O 3.19Å; E987-R1009 HydrophobicContact CG-CG 3.7Å; E987-R1009 WeakPolarHBondContact CG-O 3.22Å; E987-R1009 PolarHBondContact N-O 3.04Å; E987-R1009 PolarHBondContact O-N 2.75Å; E987-R1009 IonicContact OE1-CZ 2.69Å; E987-R1009 IonicContact OE1-NE 2.63Å; E987-R1009 PolarHBondContact OE1-NE 2.87Å; E987-R1009 IonicContact OE1-NH2 3.01Å; E987-R1009 PolarHBondContact OE1-NH2 2.78Å; Y997-R1009 HydrophobicContact CD1-CG 3.91Å; Y997-R1009 VanDerWaalsContact CD2-CZ 3.41Å; Y997-R1009 VanDerWaalsContact CD2-NH2 3.29Å; Y997-R1009 HydrophobicContact CE1-CB 4.31Å; Y997-R1009 VanDerWaalsContact CE1-CD 3.48Å; Y997-R1009 HydrophobicContact CE1-CG 3.49Å; Y997-R1009 VanDerWaalsContact CE1-CG 3.49Å; Y997-R1009 VanDerWaalsContact CE2-NE 3.33Å; Y997-R1009 VanDerWaalsContact CZ-NE 3.29Å |
| 1010 | R | 92.5 | Very high | 85.7 | Confident | 63 Ų | 63 | 52.1 Ų | 52.1 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.9 | 171.8 | 64.2 | -176.7 | 170.1 | -167.6 | -10.3 | 109.2 | F929 Y930 G985 F986 | F929-R1010 CarbonylContact C-O 3.58Å; F929-R1010 VanDerWaalsContact CA-O 3.3Å; F929-R1010 WeakPolarHBondContact CA-O 3.38Å; Y930-R1010 HydrophobicContact CD1-CG 3.85Å; Y930-R1010 HydrophobicContact CG-CG 4.26Å; Y930-R1010 PolarHBondContact N-O 2.76Å; Y930-R1010 PolarHBondContact O-N 2.92Å; G985-R1010 WeakPolarHBondContact O-CA 3.48Å; G985-R1010 WeakPolarHBondContact O-CB 3.41Å; F986-R1010 HydrophobicContact CD1-CB 3.96Å; F986-R1010 HydrophobicContact CD1-CG 4.5Å; F986-R1010 HydrophobicContact CE1-CB 4.03Å; F986-R1010 HydrophobicContact CE1-CG 4.07Å; F986-R1010 HydrophobicContact CG-CB 4.33Å; F986-R1010 HydrophobicContact CZ-CB 4.45Å; F986-R1010 HydrophobicContact CZ-CG 4.32Å |
| 1011 | R | 93 | Very high | 84.1 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 118.4 | 177.1 | -170.7 | 179.2 | -177.8 | -129.5 | 1.8 | 109.1 | E927 F929 D976 I1013 | E927-R1011 IonicContact OE2-CZ 3.14Å; E927-R1011 IonicContact OE2-NE 3.7Å; E927-R1011 PolarHBondContact OE2-NE 2.63Å; E927-R1011 IonicContact OE2-NH2 3.98Å; E927-R1011 PolarHBondContact OE2-NH2 3.06Å; F929-R1011 HydrophobicContact CD1-CB 4Å; F929-R1011 HydrophobicContact CD1-CG 4.37Å; F929-R1011 HydrophobicContact CE1-CB 3.59Å; F929-R1011 HydrophobicContact CE1-CG 3.79Å; F929-R1011 HydrophobicContact CE2-CG 3.92Å; F929-R1011 HydrophobicContact CZ-CB 3.92Å; F929-R1011 HydrophobicContact CZ-CG 3.54Å; D976-R1011 HydrophobicContact CB-CB 4.25Å; D976-R1011 HydrophobicContact CB-CG 4.3Å; D976-R1011 PolarHBondContact N-O 2.71Å; D976-R1011 IonicContact OD2-CZ 3.76Å; D976-R1011 IonicContact OD2-NE 2.73Å; D976-R1011 IonicContact OD2-NH1 3.65Å; D976-R1011 PolarHBondContact OD2-NH1 2.95Å; R1011-I1013 HydrophobicContact CG-CG2 4.1Å |
| 1012 | L | 92.9 | Very high | 82.4 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 9% | 0.094 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.6 | 168.2 | -57 | 173.6 | 0 | 0 | 0 | 107.6 | E927 L928 Y947 P958 W973 K974 I975 | E927-L1012 WeakPolarHBondContact CA-O 3.44Å; L928-L1012 HydrophobicContact CD2-CD1 4.48Å; L928-L1012 PolarHBondContact N-O 2.98Å; L928-L1012 WeakPolarHBondContact O-CA 3.42Å; L928-L1012 WeakPolarHBondContact O-CB 3.25Å; L928-L1012 PolarHBondContact O-N 3.17Å; L928-L1012 VanDerWaalsContact O-O 3.12Å; Y947-L1012 HydrophobicContact CE1-CD1 4.2Å; P958-L1012 HydrophobicContact CG-CD1 4.03Å; W973-L1012 HydrophobicContact CD2-CB 4.49Å; W973-L1012 HydrophobicContact CE3-CB 3.62Å; W973-L1012 HydrophobicContact CZ3-CB 4.13Å; W973-L1012 WeakPolarHBondContact CZ3-O 3.18Å; K974-L1012 CarbonylContact O-C 3.56Å; K974-L1012 VanDerWaalsContact O-CA 3.3Å; K974-L1012 WeakPolarHBondContact O-CA 3.5Å; I975-L1012 HydrophobicContact CG1-CD2 3.93Å |
| 1013 | I | 90.9 | Very high | 80.7 | Confident | 41 Ų | 41 | 51.3 Ų | 51.3 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.3 | 175.6 | 57.6 | 172.1 | 0 | 0 | 0 | 110.3 | V925 E926 E927 W973 K974 D976 R1011 | V925-I1013 HydrophobicContact CG1-CB 3.82Å; V925-I1013 HydrophobicContact CG1-CG2 4.02Å; E926-I1013 CarbonylContact O-C 3.52Å; E926-I1013 WeakPolarHBondContact O-CA 2.86Å; E927-I1013 HydrophobicContact CB-CG2 4.34Å; W973-I1013 WeakPolarHBondContact CA-O 3.27Å; K974-I1013 PolarHBondContact N-O 3.22Å; K974-I1013 PolarHBondContact O-N 2.86Å; D976-I1013 HydrophobicContact CB-CD1 3.92Å; D976-I1013 HydrophobicContact CB-CG1 4.08Å; D976-I1013 HydrophobicContact CB-CG2 4.11Å; R1011-I1013 HydrophobicContact CG-CG2 4.1Å |
| 1014 | R | 91 | Very high | 79.2 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 132.5 | 172.3 | -175.2 | 172.4 | 64 | 179.3 | -5.1 | 109.4 | E926 W969 D971 W973 | E926-R1014 WeakPolarHBondContact CA-O 3.5Å; E926-R1014 WeakPolarHBondContact CB-O 3.23Å; E926-R1014 PolarHBondContact N-O 2.85Å; E926-R1014 PolarHBondContact O-N 3.29Å; W969-R1014 VanDerWaalsContact CD2-NE 3.26Å; W969-R1014 HydrophobicContact CE3-CG 3.88Å; W969-R1014 HydrophobicContact CZ3-CG 4.36Å; D971-R1014 WeakPolarHBondContact O-CD 3.37Å; D971-R1014 WeakPolarHBondContact O-CG 3.11Å; W973-R1014 HydrophobicContact CD2-CB 3.66Å; W973-R1014 HydrophobicContact CE3-CB 3.72Å; W973-R1014 HydrophobicContact CG-CB 4.07Å; W973-R1014 HydrophobicContact CH2-CB 4.42Å; W973-R1014 HydrophobicContact CZ2-CB 4.37Å; W973-R1014 HydrophobicContact CZ3-CB 4.11Å |
| 1015 | S | 86.6 | Confident | 77.7 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.5 | 178.2 | -61 | 0 | 0 | 0 | 0 | 111.2 | A970 | A970-S1015 PolarHBondContact N-O 3.11Å |
| 1016 | R | 86.5 | Confident | 76 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 3% | 0.034 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 151.3 | 161.9 | 54.8 | 177 | 172.4 | 113 | -4.3 | 109.9 | D918 S923 F924 E926 L963 W967 T968 W969 | D918-R1016 IonicContact OD2-CZ 2.75Å; D918-R1016 IonicContact OD2-NH1 2.7Å; D918-R1016 PolarHBondContact OD2-NH1 3.35Å; D918-R1016 VanDerWaalsContact OD2-NH1 3.11Å; D918-R1016 IonicContact OD2-NH2 3.98Å; D918-R1016 PolarHBondContact OD2-NH2 3.1Å; S923-R1016 WeakPolarHBondContact CA-O 3.34Å; F924-R1016 HydrophobicContact CB-CG 4Å; F924-R1016 VanDerWaalsContact CD1-NH2 3.3Å; F924-R1016 PolarHBondContact N-O 3.17Å; F924-R1016 VanDerWaalsContact O-CG 3.32Å; F924-R1016 WeakPolarHBondContact O-CG 3.11Å; F924-R1016 PolarHBondContact O-N 3.44Å; E926-R1016 IonicContact OE2-CZ 3.43Å; E926-R1016 IonicContact OE2-NE 3.87Å; E926-R1016 PolarHBondContact OE2-NE 2.97Å; E926-R1016 IonicContact OE2-NH2 3.93Å; L963-R1016 HydrophobicContact CD2-CB 4.19Å; W967-R1016 HydrophobicContact CD2-CG 4.43Å; W967-R1016 VanDerWaalsContact CD2-NH1 3.32Å; W967-R1016 HydrophobicContact CE3-CB 3.88Å; W967-R1016 HydrophobicContact CE3-CG 3.61Å; W967-R1016 HydrophobicContact CZ3-CB 4.49Å; W967-R1016 HydrophobicContact CZ3-CG 3.94Å; T968-R1016 CarbonylContact O-C 3.55Å; T968-R1016 VanDerWaalsContact O-CA 3.24Å; T968-R1016 WeakPolarHBondContact O-CA 3.45Å; T968-R1016 WeakPolarHBondContact O-CB 3.17Å; W969-R1016 HydrophobicContact CE3-CB 3.68Å; W969-R1016 HydrophobicContact CZ3-CB 3.73Å; W969-R1016 HydrophobicContact CZ3-CG 4.1Å |
| 1017 | I | 77.7 | Confident | 74.3 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 21% | 0.205 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.9 | 177.7 | 49.8 | 177.8 | 0 | 0 | 0 | 109.3 | W967 T968 A970 V1021 | W967-I1017 CarbonylContact C-O 3.6Å; W967-I1017 WeakPolarHBondContact CA-O 3.44Å; T968-I1017 PolarHBondContact N-O 3.34Å; T968-I1017 PolarHBondContact O-N 2.92Å; A970-I1017 HydrophobicContact CB-CD1 4.05Å; A970-I1017 HydrophobicContact CB-CG1 4.07Å; A970-I1017 HydrophobicContact CB-CG2 4.17Å; I1017-V1021 HydrophobicContact CD1-CB 4.08Å; I1017-V1021 HydrophobicContact CD1-CG1 4.11Å; I1017-V1021 HydrophobicContact CD1-CG2 4.02Å |
| 1018 | L | 72 | Confident | 72.3 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.2 | 177.6 | -167.2 | 70.2 | 0 | 0 | 0 | 109.2 | T922 G966 W967 V1025 V1029 L1030 V1033 | T922-L1018 PolarHBondContact O-N 3.41Å; G966-L1018 WeakPolarHBondContact O-CD1 3.39Å; W967-L1018 HydrophobicContact CD2-CB 4.27Å; W967-L1018 HydrophobicContact CD2-CD1 3.85Å; W967-L1018 HydrophobicContact CE3-CB 4.32Å; W967-L1018 HydrophobicContact CG-CD1 3.88Å; W967-L1018 HydrophobicContact CH2-CB 4.41Å; W967-L1018 HydrophobicContact CZ2-CB 4.35Å; W967-L1018 HydrophobicContact CZ2-CD1 4.13Å; W967-L1018 HydrophobicContact CZ3-CB 4.39Å; W967-L1018 VanDerWaalsContact NE1-CD1 3.32Å; L1018-V1025 HydrophobicContact CB-CG1 3.98Å; L1018-V1025 HydrophobicContact CB-CG2 4.28Å; L1018-V1025 HydrophobicContact CD2-CG1 3.88Å; L1018-V1025 HydrophobicContact CG-CG1 3.93Å; L1018-V1025 WeakPolarHBondContact O-CG1 3.02Å; L1018-V1025 WeakPolarHBondContact O-CG2 3.46Å; L1018-V1029 HydrophobicContact CG-CG1 4.2Å; L1018-L1030 HydrophobicContact CD2-CB 4.33Å; L1018-L1030 HydrophobicContact CD2-CD1 3.59Å; L1018-V1033 HydrophobicContact CD1-CB 4.45Å; L1018-V1033 HydrophobicContact CD1-CG1 4.25Å; L1018-V1033 HydrophobicContact CD1-CG2 3.75Å; L1018-V1033 HydrophobicContact CD2-CB 4.3Å; L1018-V1033 HydrophobicContact CD2-CG1 4.37Å; L1018-V1033 HydrophobicContact CD2-CG2 4.19Å; L1018-V1033 HydrophobicContact CG-CG2 4.45Å |
| 1019 | G | 68.1 | Low | 70.7 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 81.8 | -161 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G966 T968 | G966-G1019 PolarHBondContact O-N 3.03Å; T968-G1019 VanDerWaalsContact CB-O 3.3Å; T968-G1019 WeakPolarHBondContact CB-O 3.13Å; T968-G1019 WeakPolarHBondContact CG2-O 3.28Å; T968-G1019 PolarHBondContact OG1-O 3.4Å |
| 1020 | D | 62.7 | Low | 69 | Low | 108 Ų | 108 | 53.7 Ų | 53.7 | 58% | 0.578 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -88.7 | 145.6 | -174.4 | -69.7 | -39.2 | 0 | 0 | 0 | 113.2 | G1022 V1023 | D1020-G1022 PolarHBondContact O-N 3.49Å; D1020-V1023 HydrophobicContact CB-CB 4.12Å; D1020-V1023 HydrophobicContact CB-CG2 3.97Å; D1020-V1023 PolarHBondContact O-N 3.45Å; D1020-V1023 VanDerWaalsContact O-O 3.1Å |
| 1021 | V | 53.7 | Low | 67.1 | Low | 83 Ų | 83 | 53.2 Ų | 53.2 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 126.5 | 178.1 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | T968 W969 I1017 V1023 | T968-V1021 WeakPolarHBondContact OG1-CG2 3.31Å; W969-V1021 WeakPolarHBondContact O-CG2 3.4Å; I1017-V1021 HydrophobicContact CD1-CB 4.08Å; I1017-V1021 HydrophobicContact CD1-CG1 4.11Å; I1017-V1021 HydrophobicContact CD1-CG2 4.02Å; V1021-V1023 PolarHBondContact O-N 3.13Å |
| 1022 | G | 50.7 | Low | 65.6 | Low | 80 Ų | 80 | 56.8 Ų | 56.8 | 83% | 0.825 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -0.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1020 | D1020-G1022 PolarHBondContact O-N 3.49Š|
| 1023 | V | 52.1 | Low | 64.2 | Low | 68 Ų | 68 | 57.9 Ų | 57.9 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -109.8 | 124.5 | 175.1 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | D1020 V1021 V1025 | D1020-V1023 HydrophobicContact CB-CB 4.12Å; D1020-V1023 HydrophobicContact CB-CG2 3.97Å; D1020-V1023 PolarHBondContact O-N 3.45Å; D1020-V1023 VanDerWaalsContact O-O 3.1Å; V1021-V1023 PolarHBondContact O-N 3.13Å; V1023-V1025 PolarHBondContact O-N 3.32Å |
| 1024 | P | 50.2 | Low | 62.7 | Low | 81 Ų | 81 | 58.9 Ų | 58.9 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | trans | -51.4 | 132.9 | 172.7 | -21.7 | 29.8 | 0 | 0 | 0 | 109.2 | K1026 T1282 | P1024-K1026 PolarHBondContact O-N 3.5Å; P1024-T1282 HydrophobicContact CB-CG2 4.46Å | ||
| 1025 | V | 54.3 | Low | 61.2 | Low | 43 Ų | 43 | 60.3 Ų | 60.3 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | trans | -50.2 | 109.7 | 177 | -168.8 | 0 | 0 | 0 | 0 | 107.2 | L1018 V1023 Q1027 V1029 L1030 | L1018-V1025 HydrophobicContact CB-CG1 3.98Å; L1018-V1025 HydrophobicContact CB-CG2 4.28Å; L1018-V1025 HydrophobicContact CD2-CG1 3.88Å; L1018-V1025 HydrophobicContact CG-CG1 3.93Å; L1018-V1025 WeakPolarHBondContact O-CG1 3.02Å; L1018-V1025 WeakPolarHBondContact O-CG2 3.46Å; V1023-V1025 PolarHBondContact O-N 3.32Å; V1025-Q1027 PolarHBondContact O-N 2.97Å; V1025-Q1027 VanDerWaalsContact O-N 3.1Å; V1025-V1029 HydrophobicContact CG1-CB 4.49Å; V1025-L1030 HydrophobicContact CG1-CB 4.28Å | ||
| 1026 | K | 54.1 | Low | 60.1 | Low | 133 Ų | 133 | 64.3 Ų | 64.3 | 58% | 0.578 | 36% | 0.361 | S | S | * | . | trans | -58.2 | 125.8 | 176.6 | -72.6 | 179.1 | -179.3 | 171.3 | 0 | 105.9 | P1024 E1028 V1029 L1030 | P1024-K1026 PolarHBondContact O-N 3.5Å; K1026-E1028 PolarHBondContact O-N 2.82Å; K1026-V1029 HydrophobicContact CB-CG2 4.24Å; K1026-V1029 WeakPolarHBondContact O-CB 3.19Å; K1026-V1029 PolarHBondContact O-N 3.47Å; K1026-L1030 PolarHBondContact O-N 3.35Å | ||
| 1027 | Q | 52.4 | Low | 59 | Low | 57 Ų | 57 | 65.6 Ų | 65.6 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -49.7 | -29.7 | 179.9 | -75.1 | -168.5 | -9.7 | 0 | 0 | 112.2 | V1025 V1029 L1030 R1031 | V1025-Q1027 PolarHBondContact O-N 2.97Å; V1025-Q1027 VanDerWaalsContact O-N 3.1Å; Q1027-V1029 PolarHBondContact O-N 2.99Å; Q1027-L1030 WeakPolarHBondContact O-CB 3.42Å; Q1027-L1030 PolarHBondContact O-N 2.91Å; Q1027-R1031 WeakPolarHBondContact O-CG 3.32Å; Q1027-R1031 PolarHBondContact O-N 2.87Å |
| 1028 | E | 51.5 | Low | 58.2 | Low | 91 Ų | 91 | 66.7 Ų | 66.7 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 172.6 | -150.8 | 70.9 | -148.8 | 0 | 0 | 114.4 | K1026 R1031 Q1032 | K1026-E1028 PolarHBondContact O-N 2.82Å; E1028-R1031 PolarHBondContact O-N 2.84Å; E1028-Q1032 WeakPolarHBondContact O-CG 3.26Å; E1028-Q1032 PolarHBondContact O-N 3.38Å |
| 1029 | V | 59.3 | Low | 57.8 | Low | 39 Ų | 39 | 73.2 Ų | 73.2 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.8 | -43 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | L1018 V1025 K1026 Q1027 R1031 Q1032 V1033 | L1018-V1029 HydrophobicContact CG-CG1 4.2Å; V1025-V1029 HydrophobicContact CG1-CB 4.49Å; K1026-V1029 HydrophobicContact CB-CG2 4.24Å; K1026-V1029 WeakPolarHBondContact O-CB 3.19Å; K1026-V1029 PolarHBondContact O-N 3.47Å; Q1027-V1029 PolarHBondContact O-N 2.99Å; V1029-R1031 PolarHBondContact O-N 3.02Å; V1029-Q1032 PolarHBondContact O-N 2.92Å; V1029-V1033 HydrophobicContact CG1-CG2 4.39Å; V1029-V1033 WeakPolarHBondContact O-CB 3.12Å; V1029-V1033 WeakPolarHBondContact O-CG2 3.36Å; V1029-V1033 PolarHBondContact O-N 2.84Å |
| 1030 | L | 56.8 | Low | 57.6 | Low | 47 Ų | 47 | 74.8 Ų | 74.8 | 25% | 0.246 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 174.9 | -173.8 | 65.1 | 0 | 0 | 0 | 111.3 | T922 L1018 V1025 K1026 Q1027 Q1032 V1033 I1034 | T922-L1030 HydrophobicContact CG2-CD1 3.96Å; L1018-L1030 HydrophobicContact CD2-CB 4.33Å; L1018-L1030 HydrophobicContact CD2-CD1 3.59Å; V1025-L1030 HydrophobicContact CG1-CB 4.28Å; K1026-L1030 PolarHBondContact O-N 3.35Å; Q1027-L1030 WeakPolarHBondContact O-CB 3.42Å; Q1027-L1030 PolarHBondContact O-N 2.91Å; L1030-Q1032 PolarHBondContact O-N 2.92Å; L1030-V1033 PolarHBondContact O-N 3.39Å; L1030-I1034 HydrophobicContact CD1-CD1 4.17Å; L1030-I1034 HydrophobicContact CD1-CG1 4.45Å; L1030-I1034 HydrophobicContact CD2-CD1 4.48Å; L1030-I1034 HydrophobicContact CG-CD1 3.83Å; L1030-I1034 HydrophobicContact CG-CG1 4.48Å; L1030-I1034 WeakPolarHBondContact O-CB 3.32Å; L1030-I1034 VanDerWaalsContact O-CG1 3.27Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.15Å; L1030-I1034 PolarHBondContact O-N 2.74Å |
| 1031 | R | 53.4 | Low | 57.6 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 176.2 | -72 | 165.5 | -158.7 | -150.9 | -10.9 | 112.4 | Q1027 E1028 V1029 V1033 I1034 A1035 E1189 | Q1027-R1031 WeakPolarHBondContact O-CG 3.32Å; Q1027-R1031 PolarHBondContact O-N 2.87Å; E1028-R1031 PolarHBondContact O-N 2.84Å; V1029-R1031 PolarHBondContact O-N 3.02Å; R1031-V1033 VanDerWaalsContact C-N 3.31Å; R1031-V1033 PolarHBondContact O-N 2.72Å; R1031-I1034 PolarHBondContact O-N 3.43Å; R1031-A1035 WeakPolarHBondContact O-CB 3.31Å; R1031-A1035 PolarHBondContact O-N 2.96Å; R1031-E1189 WeakPolarHBondContact CD-OE2 3.17Å; R1031-E1189 IonicContact CZ-OE1 2.78Å; R1031-E1189 IonicContact CZ-OE2 2.66Å; R1031-E1189 IonicContact NE-OE1 3.48Å; R1031-E1189 IonicContact NE-OE2 3.04Å; R1031-E1189 PolarHBondContact NE-OE2 3.08Å; R1031-E1189 IonicContact NH1-OE1 2.99Å; R1031-E1189 PolarHBondContact NH1-OE1 3.02Å; R1031-E1189 IonicContact NH1-OE2 2.69Å; R1031-E1189 PolarHBondContact NH1-OE2 2.95Å; R1031-E1189 IonicContact NH2-OE1 3.24Å; R1031-E1189 PolarHBondContact NH2-OE1 3.43Å; R1031-E1189 IonicContact NH2-OE2 3.73Å; R1031-E1189 PolarHBondContact NH2-OE2 3.48Å |
| 1032 | Q | 61 | Low | 57.9 | Low | 128 Ų | 128 | 73 Ų | 73 | 60% | 0.598 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.5 | -38.6 | 179.6 | -73.1 | 177.8 | 1.1 | 0 | 0 | 112 | E1028 V1029 L1030 H1036 | E1028-Q1032 WeakPolarHBondContact O-CG 3.26Å; E1028-Q1032 PolarHBondContact O-N 3.38Å; V1029-Q1032 PolarHBondContact O-N 2.92Å; L1030-Q1032 PolarHBondContact O-N 2.92Å; Q1032-H1036 WeakPolarHBondContact O-CB 3.07Å; Q1032-H1036 PolarHBondContact O-N 2.79Å |
| 1033 | V | 62.5 | Low | 58.4 | Low | 40 Ų | 40 | 72.5 Ų | 72.5 | 24% | 0.242 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.3 | -44.4 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L1018 V1029 L1030 R1031 H1036 D1037 | L1018-V1033 HydrophobicContact CD1-CB 4.45Å; L1018-V1033 HydrophobicContact CD1-CG1 4.25Å; L1018-V1033 HydrophobicContact CD1-CG2 3.75Å; L1018-V1033 HydrophobicContact CD2-CB 4.3Å; L1018-V1033 HydrophobicContact CD2-CG1 4.37Å; L1018-V1033 HydrophobicContact CD2-CG2 4.19Å; L1018-V1033 HydrophobicContact CG-CG2 4.45Å; V1029-V1033 HydrophobicContact CG1-CG2 4.39Å; V1029-V1033 WeakPolarHBondContact O-CB 3.12Å; V1029-V1033 WeakPolarHBondContact O-CG2 3.36Å; V1029-V1033 PolarHBondContact O-N 2.84Å; L1030-V1033 PolarHBondContact O-N 3.39Å; R1031-V1033 VanDerWaalsContact C-N 3.31Å; R1031-V1033 PolarHBondContact O-N 2.72Å; V1033-H1036 PolarHBondContact O-N 2.94Å; V1033-D1037 VanDerWaalsContact O-CB 3.25Å; V1033-D1037 WeakPolarHBondContact O-CB 3.5Å; V1033-D1037 PolarHBondContact O-N 3.18Å |
| 1034 | I | 59.6 | Low | 58.9 | Low | 62 Ų | 62 | 72.8 Ų | 72.8 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 175.8 | -69 | 168.7 | 0 | 0 | 0 | 110.7 | L1030 R1031 D1037 Q1038 | L1030-I1034 HydrophobicContact CD1-CD1 4.17Å; L1030-I1034 HydrophobicContact CD1-CG1 4.45Å; L1030-I1034 HydrophobicContact CD2-CD1 4.48Å; L1030-I1034 HydrophobicContact CG-CD1 3.83Å; L1030-I1034 HydrophobicContact CG-CG1 4.48Å; L1030-I1034 WeakPolarHBondContact O-CB 3.32Å; L1030-I1034 VanDerWaalsContact O-CG1 3.27Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.15Å; L1030-I1034 PolarHBondContact O-N 2.74Å; R1031-I1034 PolarHBondContact O-N 3.43Å; I1034-D1037 PolarHBondContact O-N 2.73Å; I1034-Q1038 HydrophobicContact CG2-CG 4.49Å; I1034-Q1038 WeakPolarHBondContact O-CB 3.3Å; I1034-Q1038 WeakPolarHBondContact O-CG 3.45Å; I1034-Q1038 PolarHBondContact O-N 2.88Å |
| 1035 | A | 59.5 | Low | 59.2 | Low | 49 Ų | 49 | 72.1 Ų | 72.1 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | R1031 Q1038 Q1039 | R1031-A1035 WeakPolarHBondContact O-CB 3.31Å; R1031-A1035 PolarHBondContact O-N 2.96Å; A1035-Q1038 PolarHBondContact O-N 2.99Å; A1035-Q1039 WeakPolarHBondContact O-CB 3.35Å; A1035-Q1039 PolarHBondContact O-N 3.48Å |
| 1036 | H | 64.4 | Low | 59.5 | Low | 124 Ų | 124 | 76.8 Ų | 76.8 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 175.7 | -177.2 | 70 | 0 | 0 | 0 | 112.1 | Q1032 V1033 Q1039 S1040 | Q1032-H1036 WeakPolarHBondContact O-CB 3.07Å; Q1032-H1036 PolarHBondContact O-N 2.79Å; V1033-H1036 PolarHBondContact O-N 2.94Å; H1036-Q1039 PolarHBondContact O-N 2.8Å; H1036-S1040 VanDerWaalsContact O-CB 3.26Å; H1036-S1040 WeakPolarHBondContact O-CB 3.28Å; H1036-S1040 PolarHBondContact O-N 3.11Å; H1036-S1040 PolarHBondContact O-OG 3.02Å |
| 1037 | D | 63.5 | Low | 59.9 | Low | 36 Ų | 36 | 73 Ų | 73 | 19% | 0.193 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 177 | -169.8 | 62.4 | 0 | 0 | 0 | 111.3 | V1033 I1034 S1040 R1041 | V1033-D1037 VanDerWaalsContact O-CB 3.25Å; V1033-D1037 WeakPolarHBondContact O-CB 3.5Å; V1033-D1037 PolarHBondContact O-N 3.18Å; I1034-D1037 PolarHBondContact O-N 2.73Å; D1037-S1040 PolarHBondContact O-N 3.22Å; D1037-R1041 WeakPolarHBondContact O-CB 3.42Å; D1037-R1041 VanDerWaalsContact O-CG 3.25Å; D1037-R1041 WeakPolarHBondContact O-CG 3.12Å; D1037-R1041 PolarHBondContact O-N 3.14Å; D1037-R1041 PolarHBondContact O-NE 2.84Å; D1037-R1041 IonicContact OD2-CZ 3Å; D1037-R1041 IonicContact OD2-NE 2.75Å; D1037-R1041 PolarHBondContact OD2-NE 2.79Å; D1037-R1041 IonicContact OD2-NH2 3.32Å; D1037-R1041 PolarHBondContact OD2-NH2 3.24Å |
| 1038 | Q | 61.3 | Low | 60 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 29% | 0.29 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 171.8 | -81.7 | -179.4 | -20.8 | 0 | 0 | 112.1 | I1034 A1035 R1041 L1042 | I1034-Q1038 HydrophobicContact CG2-CG 4.49Å; I1034-Q1038 WeakPolarHBondContact O-CB 3.3Å; I1034-Q1038 WeakPolarHBondContact O-CG 3.45Å; I1034-Q1038 PolarHBondContact O-N 2.88Å; A1035-Q1038 PolarHBondContact O-N 2.99Å; Q1038-R1041 WeakPolarHBondContact O-CB 3.37Å; Q1038-R1041 PolarHBondContact O-N 3.17Å; Q1038-L1042 WeakPolarHBondContact O-CG 3.44Å; Q1038-L1042 PolarHBondContact O-N 3.09Å |
| 1039 | Q | 62.8 | Low | 60.1 | Low | 139 Ų | 139 | 71.3 Ų | 71.3 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68 | -38.6 | 179.5 | -170.5 | 163.3 | 10.3 | 0 | 0 | 112 | A1035 H1036 R1041 L1042 S1043 | A1035-Q1039 WeakPolarHBondContact O-CB 3.35Å; A1035-Q1039 PolarHBondContact O-N 3.48Å; H1036-Q1039 PolarHBondContact O-N 2.8Å; Q1039-R1041 VanDerWaalsContact C-N 3.3Å; Q1039-R1041 PolarHBondContact O-N 2.87Å; Q1039-L1042 PolarHBondContact O-N 2.95Å; Q1039-S1043 WeakPolarHBondContact O-CB 3.3Å; Q1039-S1043 PolarHBondContact O-N 3.43Å; Q1039-S1043 PolarHBondContact O-OG 2.9Å |
| 1040 | S | 63.5 | Low | 59.8 | Low | 47 Ų | 47 | 74.4 Ų | 74.4 | 33% | 0.329 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 171.5 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | H1036 D1037 S1043 L1044 | H1036-S1040 VanDerWaalsContact O-CB 3.26Å; H1036-S1040 WeakPolarHBondContact O-CB 3.28Å; H1036-S1040 PolarHBondContact O-N 3.11Å; H1036-S1040 PolarHBondContact O-OG 3.02Å; D1037-S1040 PolarHBondContact O-N 3.22Å; S1040-S1043 PolarHBondContact O-N 3.34Å; S1040-S1043 PolarHBondContact O-OG 2.97Å; S1040-L1044 WeakPolarHBondContact O-CB 3.37Å; S1040-L1044 PolarHBondContact O-N 3.34Å |
| 1041 | R | 62.5 | Low | 59.7 | Low | 37 Ų | 37 | 78 Ų | 78 | 14% | 0.14 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 175.2 | -78.1 | 178.3 | -93 | 138.4 | -6.4 | 112.6 | Y915 D1037 Q1038 Q1039 S1043 L1044 L1045 | Y915-R1041 PolarHBondContact OH-NH1 3.4Å; Y915-R1041 VanDerWaalsContact OH-NH1 3.11Å; D1037-R1041 WeakPolarHBondContact O-CB 3.42Å; D1037-R1041 VanDerWaalsContact O-CG 3.25Å; D1037-R1041 WeakPolarHBondContact O-CG 3.12Å; D1037-R1041 PolarHBondContact O-N 3.14Å; D1037-R1041 PolarHBondContact O-NE 2.84Å; D1037-R1041 IonicContact OD2-CZ 3Å; D1037-R1041 IonicContact OD2-NE 2.75Å; D1037-R1041 PolarHBondContact OD2-NE 2.79Å; D1037-R1041 IonicContact OD2-NH2 3.32Å; D1037-R1041 PolarHBondContact OD2-NH2 3.24Å; Q1038-R1041 WeakPolarHBondContact O-CB 3.37Å; Q1038-R1041 PolarHBondContact O-N 3.17Å; Q1039-R1041 VanDerWaalsContact C-N 3.3Å; Q1039-R1041 PolarHBondContact O-N 2.87Å; R1041-S1043 VanDerWaalsContact C-N 3.33Å; R1041-S1043 PolarHBondContact O-N 3.45Å; R1041-L1044 PolarHBondContact O-N 3.17Å; R1041-L1045 WeakPolarHBondContact O-CB 3.1Å; R1041-L1045 PolarHBondContact O-N 3.1Å |
| 1042 | L | 59.5 | Low | 59.6 | Low | 116 Ų | 116 | 79 Ų | 79 | 61% | 0.607 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.6 | -42.8 | 176.2 | -75.6 | 168.9 | 0 | 0 | 0 | 111.3 | Q1038 Q1039 L1044 L1045 Q1046 | Q1038-L1042 WeakPolarHBondContact O-CG 3.44Å; Q1038-L1042 PolarHBondContact O-N 3.09Å; Q1039-L1042 PolarHBondContact O-N 2.95Å; L1042-L1044 PolarHBondContact O-N 3.29Å; L1042-L1045 PolarHBondContact O-N 3.08Å; L1042-Q1046 VanDerWaalsContact O-CB 3.3Å; L1042-Q1046 WeakPolarHBondContact O-CB 3.29Å; L1042-Q1046 PolarHBondContact O-N 2.99Å |
| 1043 | S | 62.9 | Low | 59.2 | Low | 70 Ų | 70 | 75.9 Ų | 75.9 | 49% | 0.49 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 176.7 | 76.3 | 0 | 0 | 0 | 0 | 112.4 | Q1039 S1040 R1041 Q1046 S1047 | Q1039-S1043 WeakPolarHBondContact O-CB 3.3Å; Q1039-S1043 PolarHBondContact O-N 3.43Å; Q1039-S1043 PolarHBondContact O-OG 2.9Å; S1040-S1043 PolarHBondContact O-N 3.34Å; S1040-S1043 PolarHBondContact O-OG 2.97Å; R1041-S1043 VanDerWaalsContact C-N 3.33Å; R1041-S1043 PolarHBondContact O-N 3.45Å; S1043-Q1046 PolarHBondContact O-N 2.91Å; S1043-S1047 PolarHBondContact O-N 3.41Å; S1043-S1047 PolarHBondContact O-OG 2.97Å |
| 1044 | L | 61.8 | Low | 59.3 | Low | 74 Ų | 74 | 81 Ų | 81 | 39% | 0.387 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 176.9 | -173.1 | 70.4 | 0 | 0 | 0 | 111.2 | L914 S1040 R1041 L1042 Q1046 S1047 L1048 | L914-L1044 HydrophobicContact CD2-CD2 3.74Å; L914-L1044 HydrophobicContact CD2-CG 4.34Å; S1040-L1044 WeakPolarHBondContact O-CB 3.37Å; S1040-L1044 PolarHBondContact O-N 3.34Å; R1041-L1044 PolarHBondContact O-N 3.17Å; L1042-L1044 PolarHBondContact O-N 3.29Å; L1044-Q1046 VanDerWaalsContact C-N 3.3Å; L1044-Q1046 PolarHBondContact O-N 2.84Å; L1044-S1047 WeakPolarHBondContact CA-OG 3.18Å; L1044-S1047 PolarHBondContact O-N 2.84Å; L1044-S1047 PolarHBondContact O-OG 3.39Å; L1044-L1048 HydrophobicContact CG-CD1 3.98Å; L1044-L1048 HydrophobicContact CG-CG 4.46Å; L1044-L1048 WeakPolarHBondContact O-CB 3.47Å; L1044-L1048 WeakPolarHBondContact O-CD1 3.15Å; L1044-L1048 WeakPolarHBondContact O-CG 3.49Å; L1044-L1048 PolarHBondContact O-N 2.97Å |
| 1045 | L | 56.8 | Low | 60.2 | Low | 67 Ų | 67 | 78.4 Ų | 78.4 | 35% | 0.351 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 174.4 | -165.6 | 83.1 | 0 | 0 | 0 | 110.6 | L911 L914 R1041 L1042 L1048 S1049 | L911-L1045 HydrophobicContact CD2-CD1 3.58Å; L911-L1045 HydrophobicContact CD2-CD2 4.42Å; L914-L1045 HydrophobicContact CD1-CB 4.42Å; L914-L1045 HydrophobicContact CD1-CD1 3.59Å; R1041-L1045 WeakPolarHBondContact O-CB 3.1Å; R1041-L1045 PolarHBondContact O-N 3.1Å; L1042-L1045 PolarHBondContact O-N 3.08Å; L1045-L1048 PolarHBondContact O-N 3.01Å; L1045-S1049 PolarHBondContact O-N 3.05Å |
| 1046 | Q | 60.4 | Low | 61.6 | Low | 140 Ų | 140 | 77.1 Ų | 77.1 | 65% | 0.654 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | 177.2 | -166.9 | 170 | 6.4 | 0 | 0 | 111.8 | L1042 S1043 L1044 S1049 | L1042-Q1046 VanDerWaalsContact O-CB 3.3Å; L1042-Q1046 WeakPolarHBondContact O-CB 3.29Å; L1042-Q1046 PolarHBondContact O-N 2.99Å; S1043-Q1046 PolarHBondContact O-N 2.91Å; L1044-Q1046 VanDerWaalsContact C-N 3.3Å; L1044-Q1046 PolarHBondContact O-N 2.84Å; Q1046-S1049 PolarHBondContact O-N 2.95Å; Q1046-S1049 PolarHBondContact O-OG 3.43Å |
| 1047 | S | 62.1 | Low | 62.7 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 38% | 0.378 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69 | -36.9 | 175.6 | 67.8 | 0 | 0 | 0 | 0 | 113 | S1043 L1044 S1049 T1050 | S1043-S1047 PolarHBondContact O-N 3.41Å; S1043-S1047 PolarHBondContact O-OG 2.97Å; L1044-S1047 WeakPolarHBondContact CA-OG 3.18Å; L1044-S1047 PolarHBondContact O-N 2.84Å; L1044-S1047 PolarHBondContact O-OG 3.39Å; S1047-S1049 PolarHBondContact O-N 3.33Å; S1047-T1050 PolarHBondContact O-N 2.87Å; S1047-T1050 PolarHBondContact O-OG1 2.88Å |
| 1048 | L | 55.2 | Low | 63.8 | Low | 22 Ų | 22 | 70.9 Ų | 70.9 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.8 | -24.5 | 175.5 | -70.2 | 166.3 | 0 | 0 | 0 | 112.3 | P909 L914 L1044 L1045 A1055 | P909-L1048 HydrophobicContact CG-CB 4.32Å; P909-L1048 HydrophobicContact CG-CD1 4.13Å; L914-L1048 HydrophobicContact CD2-CD1 3.55Å; L1044-L1048 HydrophobicContact CG-CD1 3.98Å; L1044-L1048 HydrophobicContact CG-CG 4.46Å; L1044-L1048 WeakPolarHBondContact O-CB 3.47Å; L1044-L1048 WeakPolarHBondContact O-CD1 3.15Å; L1044-L1048 WeakPolarHBondContact O-CG 3.49Å; L1044-L1048 PolarHBondContact O-N 2.97Å; L1045-L1048 PolarHBondContact O-N 3.01Å; L1048-A1055 HydrophobicContact CD2-CB 3.85Å |
| 1049 | S | 54.2 | Low | 64.9 | Low | 90 Ų | 90 | 68 Ų | 68 | 63% | 0.629 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -76.8 | -20.1 | 177.5 | 77.3 | 0 | 0 | 0 | 0 | 114 | L1045 Q1046 S1047 | L1045-S1049 PolarHBondContact O-N 3.05Å; Q1046-S1049 PolarHBondContact O-N 2.95Å; Q1046-S1049 PolarHBondContact O-OG 3.43Å; S1047-S1049 PolarHBondContact O-N 3.33Å |
| 1050 | T | 53 | Low | 65.7 | Low | 105 Ų | 105 | 65.8 Ų | 65.8 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -90.9 | -32.8 | -171.1 | 39.7 | 0 | 0 | 0 | 0 | 115 | S1047 | S1047-T1050 PolarHBondContact O-N 2.87Å; S1047-T1050 PolarHBondContact O-OG1 2.88Å |
| 1051 | E | 53.7 | Low | 66.5 | Low | 123 Ų | 123 | 66.3 Ų | 66.3 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | trans | -131.1 | 123.8 | 178.8 | -71 | -164.9 | 178.6 | 0 | 0 | 112.1 | A1053 | E1051-A1053 PolarHBondContact O-N 3.28Š| ||
| 1052 | P | 50.4 | Low | 67.2 | Low | 74 Ų | 74 | 65.3 Ų | 65.3 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.4 | 179 | 22.3 | -30.1 | 0 | 0 | 0 | 113.8 | V907 E1054 R1079 W1081 | V907-P1052 HydrophobicContact CG2-CB 3.82Å; P1052-E1054 VanDerWaalsContact C-N 3.33Å; P1052-E1054 PolarHBondContact O-N 3.48Å; P1052-R1079 PolarHBondContact O-NH1 3.29Å; P1052-W1081 HydrophobicContact CB-CH2 4.22Å |
| 1053 | A | 54.6 | Low | 67.8 | Low | 62 Ų | 62 | 65 Ų | 65 | 51% | 0.512 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1051 | E1051-A1053 PolarHBondContact O-N 3.28Š|
| 1054 | E | 64.7 | Low | 68.3 | Low | 148 Ų | 148 | 63.8 Ų | 63.8 | 69% | 0.692 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -115.3 | -4 | -162.4 | -61.1 | -165.6 | 156.7 | 0 | 0 | 116.8 | P1052 W1056 | P1052-E1054 VanDerWaalsContact C-N 3.33Å; P1052-E1054 PolarHBondContact O-N 3.48Å; E1054-W1056 PolarHBondContact O-N 3.19Å |
| 1055 | A | 77.5 | Confident | 69 | Low | 8 Ų | 8 | 64.4 Ų | 64.4 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | trans | -97 | 49.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V907 P909 L1048 | V907-A1055 HydrophobicContact CG1-CB 3.6Å; P909-A1055 HydrophobicContact CG-CB 4.46Å; L1048-A1055 HydrophobicContact CD2-CB 3.85Å | ||
| 1056 | W | 87.9 | Confident | 70.2 | Confident | 22 Ų | 22 | 62 Ų | 62 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | trans | -79.7 | 139.9 | 172.1 | -73.9 | 101.5 | 0 | 0 | 0 | 111.7 | E858 Q860 E1054 Y1058 R1077 R1079 | E858-W1056 HydrophobicContact CB-CH2 4.48Å; E858-W1056 HydrophobicContact CG-CH2 3.92Å; E858-W1056 HydrophobicContact CG-CZ3 4.49Å; E858-W1056 WeakPolarHBondContact O-CZ3 3.2Å; Q860-W1056 VanDerWaalsContact CD-CH2 3.41Å; Q860-W1056 HydrophobicContact CG-CH2 3.82Å; Q860-W1056 HydrophobicContact CG-CZ3 4.16Å; E1054-W1056 PolarHBondContact O-N 3.19Å; W1056-Y1058 HydrophobicContact CB-CD2 4.44Å; W1056-Y1058 HydrophobicContact CB-CE1 4.33Å; W1056-Y1058 HydrophobicContact CB-CE2 3.65Å; W1056-Y1058 WeakPolarHBondContact CB-OH 3.24Å; W1056-Y1058 WeakPolarHBondContact O-CE2 3.16Å; W1056-R1077 HydrophobicContact CD2-CG 4.06Å; W1056-R1077 HydrophobicContact CE3-CB 4Å; W1056-R1077 HydrophobicContact CE3-CG 3.48Å; W1056-R1077 VanDerWaalsContact CE3-CG 3.48Å; W1056-R1077 HydrophobicContact CZ3-CG 3.87Å; W1056-R1079 HydrophobicContact CD2-CB 4.23Å; W1056-R1079 HydrophobicContact CE3-CB 3.8Å; W1056-R1079 HydrophobicContact CH2-CB 4.33Å; W1056-R1079 HydrophobicContact CZ3-CB 3.86Å | ||
| 1057 | E | 88.2 | Confident | 71.1 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123 | 172.5 | -50 | 177.2 | -174 | 0 | 0 | 108.4 | L913 F1066 H1067 R1077 R1078 | L913-E1057 HydrophobicContact CD1-CB 4.36Å; L913-E1057 HydrophobicContact CD1-CG 3.62Å; E1057-F1066 HydrophobicContact CB-CB 4.09Å; E1057-F1066 HydrophobicContact CB-CD1 3.8Å; E1057-F1066 HydrophobicContact CB-CG 4.26Å; E1057-F1066 WeakPolarHBondContact O-CD1 3.48Å; E1057-H1067 CarbonylContact C-O 3.38Å; E1057-R1077 CarbonylContact O-C 3.59Å; E1057-R1077 WeakPolarHBondContact O-CA 3.35Å; E1057-R1077 WeakPolarHBondContact O-CB 3.47Å; E1057-R1078 HydrophobicContact CB-CG 3.98Å; E1057-R1078 WeakPolarHBondContact CB-O 3.37Å; E1057-R1078 PolarHBondContact N-O 3.45Å; E1057-R1078 PolarHBondContact O-N 3.07Å; E1057-R1078 IonicContact OE2-CZ 3.69Å; E1057-R1078 IonicContact OE2-NE 2.69Å; E1057-R1078 PolarHBondContact OE2-NE 3.01Å; E1057-R1078 IonicContact OE2-NH2 2.67Å; E1057-R1078 PolarHBondContact OE2-NH2 3Å |
| 1058 | Y | 87.5 | Confident | 71.7 | Confident | 25 Ų | 25 | 57 Ų | 57 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 150.5 | -174.7 | -56.3 | -96.2 | 0 | 0 | 0 | 111.9 | W867 W1056 F1066 H1067 T1068 E1070 D1074 R1077 | W867-Y1058 AromaticContact CH2-CD1 3.99Å; W867-Y1058 HydrophobicContact CH2-CD1 3.99Å; W867-Y1058 HydrophobicContact CH2-CE1 4.42Å; W867-Y1058 AromaticContact CZ2-CD1 3.69Å; W867-Y1058 HydrophobicContact CZ2-CD1 3.69Å; W867-Y1058 AromaticContact CZ2-CE1 3.75Å; W867-Y1058 HydrophobicContact CZ2-CE1 3.75Å; W1056-Y1058 HydrophobicContact CB-CD2 4.44Å; W1056-Y1058 HydrophobicContact CB-CE1 4.33Å; W1056-Y1058 HydrophobicContact CB-CE2 3.65Å; W1056-Y1058 WeakPolarHBondContact CB-OH 3.24Å; W1056-Y1058 WeakPolarHBondContact O-CE2 3.16Å; Y1058-F1066 CarbonylContact O-C 3.57Å; Y1058-F1066 VanDerWaalsContact O-CA 3.25Å; Y1058-F1066 WeakPolarHBondContact O-CA 3.48Å; Y1058-H1067 PolarHBondContact N-O 2.67Å; Y1058-H1067 PolarHBondContact O-CD2 3.5Å; Y1058-H1067 PolarHBondContact O-N 2.98Å; Y1058-T1068 WeakPolarHBondContact CD2-O 3.44Å; Y1058-T1068 WeakPolarHBondContact CE2-O 3.06Å; Y1058-E1070 HydrophobicContact CD1-CB 3.76Å; Y1058-E1070 HydrophobicContact CD1-CG 3.75Å; Y1058-E1070 HydrophobicContact CD2-CB 4.17Å; Y1058-E1070 HydrophobicContact CE1-CB 3.6Å; Y1058-E1070 HydrophobicContact CE1-CG 3.66Å; Y1058-E1070 HydrophobicContact CE2-CB 4.03Å; Y1058-E1070 HydrophobicContact CG-CB 4.05Å; Y1058-E1070 HydrophobicContact CG-CG 4.46Å; Y1058-D1074 WeakPolarHBondContact CB-OD2 3.4Å; Y1058-R1077 HydrophobicContact CD1-CB 3.67Å; Y1058-R1077 HydrophobicContact CE1-CB 3.97Å; Y1058-R1077 HydrophobicContact CE1-CG 4.42Å; Y1058-R1077 HydrophobicContact CG-CB 4.25Å |
| 1059 | A | 84.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 160.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1061 F1066 D1074 M1075 V1076 | A1059-N1061 VanDerWaalsContact C-N 3.34Å; A1059-N1061 WeakPolarHBondContact CB-O 3.28Å; A1059-N1061 PolarHBondContact O-N 3.47Å; A1059-F1066 HydrophobicContact CB-CD1 3.74Å; A1059-F1066 HydrophobicContact CB-CD2 4.39Å; A1059-F1066 HydrophobicContact CB-CE1 3.77Å; A1059-F1066 HydrophobicContact CB-CE2 4.42Å; A1059-F1066 HydrophobicContact CB-CG 4.07Å; A1059-F1066 HydrophobicContact CB-CZ 4.13Å; A1059-D1074 WeakPolarHBondContact O-CA 3.49Å; A1059-M1075 PolarHBondContact O-N 3.28Å; A1059-M1075 VanDerWaalsContact O-N 3.17Å; A1059-V1076 HydrophobicContact CB-CG2 4.01Å; A1059-V1076 PolarHBondContact N-O 3Å; A1059-V1076 WeakPolarHBondContact O-CG2 3.05Å; A1059-V1076 PolarHBondContact O-N 2.87Å; A1059-V1076 VanDerWaalsContact O-O 3.05Å |
| 1060 | F | 78.1 | Confident | 74.1 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -58.3 | -45.6 | 170.1 | 178.3 | -102.3 | 0 | 0 | 0 | 111.6 | V1073 M1075 | F1060-V1073 HydrophobicContact CD2-CB 4.34Å; F1060-V1073 VanDerWaalsContact CD2-O 3.25Å; F1060-V1073 WeakPolarHBondContact CD2-O 2.87Å; F1060-M1075 HydrophobicContact CD2-CG 4.44Å; F1060-M1075 HydrophobicContact CE2-CG 4.42Å; F1060-M1075 HydrophobicContact CE2-SD 4.08Å; F1060-M1075 HydrophobicContact CZ-SD 4.25Å; F1060-M1075 WeakPolarHBondContact O-CB 3.3Å; F1060-M1075 WeakPolarHBondContact O-CG 3.44Å; F1060-M1075 PolarHBondContact O-N 2.98Å |
| 1061 | N | 80 | Confident | 75.2 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -148.4 | 170.8 | 172.7 | 64.6 | 38.4 | 0 | 0 | 0 | 110.3 | A1059 D1063 S1064 | A1059-N1061 VanDerWaalsContact C-N 3.34Å; A1059-N1061 WeakPolarHBondContact CB-O 3.28Å; A1059-N1061 PolarHBondContact O-N 3.47Å; N1061-D1063 PolarHBondContact O-N 2.81Å; N1061-D1063 VanDerWaalsContact O-N 3.13Å; N1061-D1063 PolarHBondContact OD1-N 3.03Å; N1061-S1064 WeakPolarHBondContact O-CB 3.39Å; N1061-S1064 PolarHBondContact O-N 3.49Å; N1061-S1064 VanDerWaalsContact O-N 3.12Å; N1061-S1064 PolarHBondContact OD1-N 3.18Å; N1061-S1064 PolarHBondContact OD1-OG 3.41Å |
| 1062 | F | 78.5 | Confident | 76.1 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.9 | -176.5 | -80.9 | -78.4 | 0 | 0 | 0 | 114.7 | N859 L874 R876 F1066 V1076 | N859-F1062 HydrophobicContact CB-CE1 4.04Å; N859-F1062 HydrophobicContact CB-CZ 3.82Å; N859-F1062 WeakPolarHBondContact OD1-CE1 3.31Å; L874-F1062 HydrophobicContact CD1-CE2 3.9Å; L874-F1062 HydrophobicContact CD1-CZ 3.85Å; R876-F1062 HydrophobicContact CB-CD2 4.07Å; R876-F1062 HydrophobicContact CB-CE1 4.41Å; R876-F1062 HydrophobicContact CB-CE2 3.81Å; R876-F1062 HydrophobicContact CB-CG 4.49Å; R876-F1062 HydrophobicContact CB-CZ 4.02Å; R876-F1062 HydrophobicContact CG-CB 4.22Å; R876-F1062 HydrophobicContact CG-CD1 4.05Å; R876-F1062 HydrophobicContact CG-CD2 3.32Å; R876-F1062 HydrophobicContact CG-CE1 4.3Å; R876-F1062 HydrophobicContact CG-CE2 3.61Å; R876-F1062 HydrophobicContact CG-CG 3.58Å; R876-F1062 HydrophobicContact CG-CZ 4.12Å; F1062-F1066 HydrophobicContact CD1-CZ 4.04Å; F1062-V1076 HydrophobicContact CD2-CB 4.12Å; F1062-V1076 HydrophobicContact CD2-CG1 3.67Å; F1062-V1076 HydrophobicContact CD2-CG2 4.26Å; F1062-V1076 HydrophobicContact CE1-CB 4.5Å; F1062-V1076 HydrophobicContact CE2-CB 3.79Å; F1062-V1076 HydrophobicContact CE2-CG1 3.44Å; F1062-V1076 VanDerWaalsContact CE2-CG1 3.44Å; F1062-V1076 HydrophobicContact CE2-CG2 4.37Å; F1062-V1076 HydrophobicContact CG-CG2 4.34Å; F1062-V1076 HydrophobicContact CZ-CB 3.96Å; F1062-V1076 HydrophobicContact CZ-CG1 4.13Å |
| 1063 | D | 72.2 | Confident | 77.3 | Confident | 110 Ų | 110 | 62.6 Ų | 62.6 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 2.4 | -177.6 | -53.3 | -52.8 | 0 | 0 | 0 | 111.6 | R876 N1061 | R876-D1063 IonicContact NH2-OD1 2.86Å; R876-D1063 PolarHBondContact NH2-OD1 2.88Å; R876-D1063 IonicContact NH2-OD2 2.63Å; R876-D1063 PolarHBondContact NH2-OD2 3.14Å; N1061-D1063 PolarHBondContact O-N 2.81Å; N1061-D1063 VanDerWaalsContact O-N 3.13Å; N1061-D1063 PolarHBondContact OD1-N 3.03Å |
| 1064 | S | 73.3 | Confident | 78.7 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -93.2 | 160.6 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | N1061 F1066 | N1061-S1064 WeakPolarHBondContact O-CB 3.39Å; N1061-S1064 PolarHBondContact O-N 3.49Å; N1061-S1064 VanDerWaalsContact O-N 3.12Å; N1061-S1064 PolarHBondContact OD1-N 3.18Å; N1061-S1064 PolarHBondContact OD1-OG 3.41Å; S1064-F1066 PolarHBondContact O-N 3.36Å |
| 1065 | K | 76 | Confident | 79.7 | Confident | 87 Ų | 87 | 57.7 Ų | 57.7 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 120.7 | 173.1 | -68.4 | -168.8 | -172.1 | -176.2 | 0 | 110.3 | S577 D578 | S577-K1065 PolarHBondContact O-NZ 2.95Å; D578-K1065 WeakPolarHBondContact O-CE 3.41Å |
| 1066 | F | 82.9 | Confident | 80.3 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -70 | 154.5 | 174.8 | -76.7 | -91 | 0 | 0 | 0 | 112.2 | L913 E1057 Y1058 A1059 F1062 S1064 V1076 R1078 | L913-F1066 HydrophobicContact CD2-CB 4.3Å; L913-F1066 WeakPolarHBondContact CD2-O 3.45Å; E1057-F1066 HydrophobicContact CB-CB 4.09Å; E1057-F1066 HydrophobicContact CB-CD1 3.8Å; E1057-F1066 HydrophobicContact CB-CG 4.26Å; E1057-F1066 WeakPolarHBondContact O-CD1 3.48Å; Y1058-F1066 CarbonylContact O-C 3.57Å; Y1058-F1066 VanDerWaalsContact O-CA 3.25Å; Y1058-F1066 WeakPolarHBondContact O-CA 3.48Å; A1059-F1066 HydrophobicContact CB-CD1 3.74Å; A1059-F1066 HydrophobicContact CB-CD2 4.39Å; A1059-F1066 HydrophobicContact CB-CE1 3.77Å; A1059-F1066 HydrophobicContact CB-CE2 4.42Å; A1059-F1066 HydrophobicContact CB-CG 4.07Å; A1059-F1066 HydrophobicContact CB-CZ 4.13Å; F1062-F1066 HydrophobicContact CD1-CZ 4.04Å; S1064-F1066 PolarHBondContact O-N 3.36Å; F1066-V1076 HydrophobicContact CE1-CG2 4.27Å; F1066-V1076 HydrophobicContact CZ-CG2 4.33Å; F1066-R1078 HydrophobicContact CD1-CG 3.89Å; F1066-R1078 HydrophobicContact CE1-CB 4.24Å; F1066-R1078 HydrophobicContact CE1-CG 3.54Å; F1066-R1078 VanDerWaalsContact CE2-CZ 3.45Å; F1066-R1078 VanDerWaalsContact CZ-CD 3.47Å; F1066-R1078 HydrophobicContact CZ-CG 3.95Å |
| 1067 | H | 77.6 | Confident | 80.4 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 11% | 0.111 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -147.5 | 159 | 177.4 | 45.7 | 82.1 | 0 | 0 | 0 | 112 | E1057 Y1058 K1069 R1071 D1074 | E1057-H1067 CarbonylContact C-O 3.38Å; Y1058-H1067 PolarHBondContact N-O 2.67Å; Y1058-H1067 PolarHBondContact O-CD2 3.5Å; Y1058-H1067 PolarHBondContact O-N 2.98Å; H1067-K1069 PolarHBondContact CE1-O 3.38Å; H1067-K1069 PolarHBondContact ND1-O 2.83Å; H1067-R1071 PolarHBondContact CD2-NH1 3.33Å; H1067-R1071 VanDerWaalsContact CD2-NH1 3.33Å; H1067-R1071 PolarHBondContact CD2-NH2 3.15Å; H1067-R1071 VanDerWaalsContact CE1-CD 3.46Å; H1067-R1071 WeakPolarHBondContact CE1-CD 3.38Å; H1067-R1071 PolarHBondContact CE1-NE 3.11Å; H1067-R1071 PolarHBondContact NE2-NH1 3.19Å; H1067-D1074 IonicContact CE1-OD1 3.7Å; H1067-D1074 PolarHBondContact CE1-OD1 3.07Å; H1067-D1074 VanDerWaalsContact CE1-OD1 3.25Å; H1067-D1074 IonicContact CE1-OD2 2.81Å; H1067-D1074 PolarHBondContact CE1-OD2 3.5Å; H1067-D1074 IonicContact NE2-OD1 3.31Å; H1067-D1074 PolarHBondContact NE2-OD1 2.76Å |
| 1068 | T | 75.5 | Confident | 80.6 | Confident | 64 Ų | 64 | 60 Ų | 60 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -76.7 | -30.7 | -173.5 | 43.4 | 0 | 0 | 0 | 0 | 114.9 | L913 L914 Y1058 | L913-T1068 HydrophobicContact CB-CG2 3.99Å; L913-T1068 WeakPolarHBondContact O-CG2 3.29Å; L914-T1068 HydrophobicContact CD2-CG2 4.44Å; Y1058-T1068 WeakPolarHBondContact CD2-O 3.44Å; Y1058-T1068 WeakPolarHBondContact CE2-O 3.06Å |
| 1069 | K | 77.5 | Confident | 80.7 | Confident | 167 Ų | 167 | 60.2 Ų | 60.2 | 73% | 0.726 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -95.7 | 129 | -179.2 | -66.4 | -172.8 | 178.2 | -173.4 | 0 | 111.4 | H1067 | H1067-K1069 PolarHBondContact CE1-O 3.38Å; H1067-K1069 PolarHBondContact ND1-O 2.83Å |
| 1070 | E | 81.5 | Confident | 81.1 | Confident | 104 Ų | 104 | 61.1 Ų | 61.1 | 49% | 0.486 | 29% | 0.288 | S | S | . | . | trans | -62.8 | 136.9 | 173.2 | -172.7 | 172.8 | -177 | 0 | 0 | 111.2 | W867 Y1058 | W867-E1070 HydrophobicContact CZ2-CG 4.17Å; W867-E1070 VanDerWaalsContact CZ2-OE1 3.29Å; W867-E1070 WeakPolarHBondContact CZ2-OE1 3.45Å; W867-E1070 PolarHBondContact NE1-OE1 2.87Å; Y1058-E1070 HydrophobicContact CD1-CB 3.76Å; Y1058-E1070 HydrophobicContact CD1-CG 3.75Å; Y1058-E1070 HydrophobicContact CD2-CB 4.17Å; Y1058-E1070 HydrophobicContact CE1-CB 3.6Å; Y1058-E1070 HydrophobicContact CE1-CG 3.66Å; Y1058-E1070 HydrophobicContact CE2-CB 4.03Å; Y1058-E1070 HydrophobicContact CG-CB 4.05Å; Y1058-E1070 HydrophobicContact CG-CG 4.46Å | ||
| 1071 | R | 76.7 | Confident | 81.7 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 26% | 0.26 | 27% | 0.273 | S | S | . | . | trans | -121.9 | 152.8 | 174.4 | -54.4 | 174.4 | -174.7 | 157.7 | 4.5 | 108.3 | E953 H1067 V1073 D1074 | E953-R1071 HydrophobicContact CG-CB 4.3Å; H1067-R1071 PolarHBondContact CD2-NH1 3.33Å; H1067-R1071 VanDerWaalsContact CD2-NH1 3.33Å; H1067-R1071 PolarHBondContact CD2-NH2 3.15Å; H1067-R1071 VanDerWaalsContact CE1-CD 3.46Å; H1067-R1071 WeakPolarHBondContact CE1-CD 3.38Å; H1067-R1071 PolarHBondContact CE1-NE 3.11Å; H1067-R1071 PolarHBondContact NE2-NH1 3.19Å; R1071-V1073 HydrophobicContact CB-CG2 4.15Å; R1071-V1073 PolarHBondContact O-N 2.98Å; R1071-D1074 WeakPolarHBondContact CA-OD2 3.48Å; R1071-D1074 WeakPolarHBondContact CB-OD2 3.03Å; R1071-D1074 PolarHBondContact N-OD2 2.98Å; R1071-D1074 VanDerWaalsContact O-CB 3.31Å; R1071-D1074 WeakPolarHBondContact O-CB 3.42Å; R1071-D1074 PolarHBondContact O-N 3.06Å | ||
| 1072 | K | 73.2 | Confident | 82.2 | Confident | 154 Ų | 154 | 55.2 Ų | 55.2 | 67% | 0.67 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.2 | 180 | -63.2 | 171.9 | -175.3 | -179.3 | 0 | 113.3 | E953 D1074 | E953-K1072 WeakPolarHBondContact OE1-CA 3.46Å; E953-K1072 WeakPolarHBondContact OE1-CB 3.18Å; E953-K1072 WeakPolarHBondContact OE1-CG 2.89Å; E953-K1072 PolarHBondContact OE1-N 2.97Å; K1072-D1074 VanDerWaalsContact C-N 3.3Å |
| 1073 | V | 75.3 | Confident | 82.9 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -10.1 | 176.8 | -65 | 0 | 0 | 0 | 0 | 113 | Q951 F1060 R1071 M1075 | Q951-V1073 HydrophobicContact CB-CG2 4.17Å; Q951-V1073 VanDerWaalsContact O-CG1 3.23Å; Q951-V1073 WeakPolarHBondContact O-CG1 3.39Å; F1060-V1073 HydrophobicContact CD2-CB 4.34Å; F1060-V1073 VanDerWaalsContact CD2-O 3.25Å; F1060-V1073 WeakPolarHBondContact CD2-O 2.87Å; R1071-V1073 HydrophobicContact CB-CG2 4.15Å; R1071-V1073 PolarHBondContact O-N 2.98Å; V1073-M1075 PolarHBondContact O-N 3.03Å |
| 1074 | D | 84 | Confident | 83.7 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | trans | -69.4 | 119.4 | -178.2 | -64.3 | -29.4 | 0 | 0 | 0 | 110.4 | W867 Y1058 A1059 H1067 R1071 K1072 | W867-D1074 HydrophobicContact CH2-CB 4.18Å; Y1058-D1074 WeakPolarHBondContact CB-OD2 3.4Å; A1059-D1074 WeakPolarHBondContact O-CA 3.49Å; H1067-D1074 IonicContact CE1-OD1 3.7Å; H1067-D1074 PolarHBondContact CE1-OD1 3.07Å; H1067-D1074 VanDerWaalsContact CE1-OD1 3.25Å; H1067-D1074 IonicContact CE1-OD2 2.81Å; H1067-D1074 PolarHBondContact CE1-OD2 3.5Å; H1067-D1074 IonicContact NE2-OD1 3.31Å; H1067-D1074 PolarHBondContact NE2-OD1 2.76Å; R1071-D1074 WeakPolarHBondContact CA-OD2 3.48Å; R1071-D1074 WeakPolarHBondContact CB-OD2 3.03Å; R1071-D1074 PolarHBondContact N-OD2 2.98Å; R1071-D1074 VanDerWaalsContact O-CB 3.31Å; R1071-D1074 WeakPolarHBondContact O-CB 3.42Å; R1071-D1074 PolarHBondContact O-N 3.06Å; K1072-D1074 VanDerWaalsContact C-N 3.3Å | ||
| 1075 | M | 85.9 | Confident | 84.5 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 50% | 0.498 | 23% | 0.23 | S | C | . | . | trans | -99.5 | -13.3 | 176.8 | -48.8 | -175 | 60.8 | 0 | 0 | 111.8 | A861 S862 A1059 F1060 V1073 | A861-M1075 CarbonylContact C-O 3.42Å; A861-M1075 WeakPolarHBondContact CA-O 3.15Å; S862-M1075 PolarHBondContact N-O 2.92Å; A1059-M1075 PolarHBondContact O-N 3.28Å; A1059-M1075 VanDerWaalsContact O-N 3.17Å; F1060-M1075 HydrophobicContact CD2-CG 4.44Å; F1060-M1075 HydrophobicContact CE2-CG 4.42Å; F1060-M1075 HydrophobicContact CE2-SD 4.08Å; F1060-M1075 HydrophobicContact CZ-SD 4.25Å; F1060-M1075 WeakPolarHBondContact O-CB 3.3Å; F1060-M1075 WeakPolarHBondContact O-CG 3.44Å; F1060-M1075 PolarHBondContact O-N 2.98Å; V1073-M1075 PolarHBondContact O-N 3.03Å | ||
| 1076 | V | 88.9 | Confident | 84.9 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149.3 | -179 | -54 | 0 | 0 | 0 | 0 | 111.3 | Q860 W867 A1059 F1062 F1066 | Q860-V1076 WeakPolarHBondContact O-CA 3.24Å; W867-V1076 VanDerWaalsContact CZ3-C 3.49Å; A1059-V1076 HydrophobicContact CB-CG2 4.01Å; A1059-V1076 PolarHBondContact N-O 3Å; A1059-V1076 WeakPolarHBondContact O-CG2 3.05Å; A1059-V1076 PolarHBondContact O-N 2.87Å; A1059-V1076 VanDerWaalsContact O-O 3.05Å; F1062-V1076 HydrophobicContact CD2-CB 4.12Å; F1062-V1076 HydrophobicContact CD2-CG1 3.67Å; F1062-V1076 HydrophobicContact CD2-CG2 4.26Å; F1062-V1076 HydrophobicContact CE1-CB 4.5Å; F1062-V1076 HydrophobicContact CE2-CB 3.79Å; F1062-V1076 HydrophobicContact CE2-CG1 3.44Å; F1062-V1076 VanDerWaalsContact CE2-CG1 3.44Å; F1062-V1076 HydrophobicContact CE2-CG2 4.37Å; F1062-V1076 HydrophobicContact CG-CG2 4.34Å; F1062-V1076 HydrophobicContact CZ-CB 3.96Å; F1062-V1076 HydrophobicContact CZ-CG1 4.13Å; F1066-V1076 HydrophobicContact CE1-CG2 4.27Å; F1066-V1076 HydrophobicContact CZ-CG2 4.33Å |
| 1077 | R | 91.4 | Very high | 84.7 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.1 | 166.3 | 68.3 | 179.9 | -173.8 | -177.4 | -1.6 | 110.6 | Q860 W867 W1056 E1057 Y1058 | Q860-R1077 HydrophobicContact CB-CG 3.87Å; Q860-R1077 PolarHBondContact N-O 3.11Å; Q860-R1077 PolarHBondContact O-N 3.29Å; W867-R1077 VanDerWaalsContact CB-NH2 3.33Å; W867-R1077 VanDerWaalsContact CD1-NH1 3.31Å; W867-R1077 HydrophobicContact CD2-CG 3.93Å; W867-R1077 HydrophobicContact CE3-CB 4.32Å; W867-R1077 HydrophobicContact CE3-CG 3.58Å; W867-R1077 HydrophobicContact CH2-CB 4.08Å; W867-R1077 HydrophobicContact CH2-CG 4.2Å; W867-R1077 HydrophobicContact CZ3-CB 3.95Å; W867-R1077 HydrophobicContact CZ3-CG 3.73Å; W1056-R1077 HydrophobicContact CD2-CG 4.06Å; W1056-R1077 HydrophobicContact CE3-CB 4Å; W1056-R1077 HydrophobicContact CE3-CG 3.48Å; W1056-R1077 VanDerWaalsContact CE3-CG 3.48Å; W1056-R1077 HydrophobicContact CZ3-CG 3.87Å; E1057-R1077 CarbonylContact O-C 3.59Å; E1057-R1077 WeakPolarHBondContact O-CA 3.35Å; E1057-R1077 WeakPolarHBondContact O-CB 3.47Å; Y1058-R1077 HydrophobicContact CD1-CB 3.67Å; Y1058-R1077 HydrophobicContact CE1-CB 3.97Å; Y1058-R1077 HydrophobicContact CE1-CG 4.42Å; Y1058-R1077 HydrophobicContact CG-CB 4.25Å |
| 1078 | R | 91.8 | Very high | 84.5 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 160.1 | 174.8 | 71.8 | -176.5 | -174.2 | -177.8 | 0.1 | 111.9 | Y857 E858 N859 N882 E1057 F1066 | Y857-R1078 HydrophobicContact CD1-CG 4.14Å; E858-R1078 CarbonylContact O-C 3.45Å; E858-R1078 WeakPolarHBondContact O-CA 3.46Å; N859-R1078 VanDerWaalsContact OD1-CB 3.28Å; N859-R1078 WeakPolarHBondContact OD1-CB 3.33Å; N882-R1078 PolarHBondContact O-NH1 3.2Å; E1057-R1078 HydrophobicContact CB-CG 3.98Å; E1057-R1078 WeakPolarHBondContact CB-O 3.37Å; E1057-R1078 PolarHBondContact N-O 3.45Å; E1057-R1078 PolarHBondContact O-N 3.07Å; E1057-R1078 IonicContact OE2-CZ 3.69Å; E1057-R1078 IonicContact OE2-NE 2.69Å; E1057-R1078 PolarHBondContact OE2-NE 3.01Å; E1057-R1078 IonicContact OE2-NH2 2.67Å; E1057-R1078 PolarHBondContact OE2-NH2 3Å; F1066-R1078 HydrophobicContact CD1-CG 3.89Å; F1066-R1078 HydrophobicContact CE1-CB 4.24Å; F1066-R1078 HydrophobicContact CE1-CG 3.54Å; F1066-R1078 VanDerWaalsContact CE2-CZ 3.45Å; F1066-R1078 VanDerWaalsContact CZ-CD 3.47Å; F1066-R1078 HydrophobicContact CZ-CG 3.95Å |
| 1079 | R | 90.3 | Very high | 84 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 126.5 | 174.8 | 179.4 | 165.3 | 60 | -176 | -4.6 | 109.6 | Y857 E858 V907 P1052 W1056 W1081 | Y857-R1079 WeakPolarHBondContact CA-O 3.36Å; E858-R1079 HydrophobicContact CB-CB 4.38Å; E858-R1079 VanDerWaalsContact CD-NH2 3.33Å; E858-R1079 PolarHBondContact N-O 2.86Å; E858-R1079 PolarHBondContact O-N 2.87Å; E858-R1079 IonicContact OE1-NH2 3.22Å; E858-R1079 PolarHBondContact OE1-NH2 2.8Å; E858-R1079 IonicContact OE2-CZ 3.86Å; E858-R1079 VanDerWaalsContact OE2-CZ 3.23Å; E858-R1079 IonicContact OE2-NE 2.84Å; E858-R1079 PolarHBondContact OE2-NE 3.1Å; E858-R1079 IonicContact OE2-NH2 2.77Å; E858-R1079 PolarHBondContact OE2-NH2 3.07Å; V907-R1079 HydrophobicContact CG1-CG 3.72Å; V907-R1079 HydrophobicContact CG2-CG 4.16Å; P1052-R1079 PolarHBondContact O-NH1 3.29Å; W1056-R1079 HydrophobicContact CD2-CB 4.23Å; W1056-R1079 HydrophobicContact CE3-CB 3.8Å; W1056-R1079 HydrophobicContact CH2-CB 4.33Å; W1056-R1079 HydrophobicContact CZ3-CB 3.86Å; R1079-W1081 VanDerWaalsContact O-CD1 3.23Å |
| 1080 | R | 91.4 | Very high | 83 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.1 | -176.7 | -168.4 | 172.2 | 79.5 | 178.8 | -2 | 111.4 | E855 Y857 V907 S908 P909 | E855-R1080 HydrophobicContact CG-CG 4.32Å; E855-R1080 WeakPolarHBondContact OE2-CD 3.27Å; E855-R1080 IonicContact OE2-NE 2.68Å; Y857-R1080 HydrophobicContact CD1-CB 3.96Å; Y857-R1080 HydrophobicContact CD1-CG 4.19Å; Y857-R1080 HydrophobicContact CE1-CB 3.61Å; Y857-R1080 HydrophobicContact CE1-CG 3.57Å; Y857-R1080 HydrophobicContact CE2-CG 4.15Å; Y857-R1080 VanDerWaalsContact CZ-CD 3.47Å; Y857-R1080 WeakPolarHBondContact OH-CD 3.42Å; V907-R1080 WeakPolarHBondContact CA-O 3.39Å; S908-R1080 PolarHBondContact N-O 3.1Å; S908-R1080 PolarHBondContact O-NE 2.8Å; S908-R1080 PolarHBondContact O-NH2 3.45Å; P909-R1080 PolarHBondContact O-NH2 3.24Å |
| 1081 | W | 90.9 | Very high | 81.4 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.3 | -179 | -69.2 | 90.1 | 0 | 0 | 0 | 110.7 | E855 T856 E858 W879 W905 Y906 V907 P1052 R1079 | E855-W1081 WeakPolarHBondContact CA-O 3.3Å; T856-W1081 HydrophobicContact CG2-CB 3.96Å; T856-W1081 PolarHBondContact N-O 2.98Å; T856-W1081 PolarHBondContact O-N 3.26Å; E858-W1081 PolarHBondContact OE2-NE1 2.92Å; W879-W1081 AromaticContact CH2-CD1 3.89Å; W879-W1081 HydrophobicContact CH2-CG 4.45Å; W879-W1081 AromaticContact CH2-NE1 3.61Å; W879-W1081 AromaticContact CZ3-CD1 3.49Å; W879-W1081 VanDerWaalsContact CZ3-CD1 3.49Å; W879-W1081 HydrophobicContact CZ3-CG 4.02Å; W879-W1081 AromaticContact CZ3-NE1 3.73Å; W905-W1081 HydrophobicContact CB-CE3 3.96Å; W905-W1081 HydrophobicContact CB-CZ3 4.37Å; W905-W1081 HydrophobicContact CE3-CB 3.86Å; W905-W1081 HydrophobicContact CZ3-CB 4.28Å; Y906-W1081 WeakPolarHBondContact O-CA 3.5Å; V907-W1081 HydrophobicContact CG2-CD2 4.01Å; V907-W1081 HydrophobicContact CG2-CE3 3.88Å; V907-W1081 HydrophobicContact CG2-CH2 3.71Å; V907-W1081 HydrophobicContact CG2-CZ2 3.85Å; V907-W1081 HydrophobicContact CG2-CZ3 3.73Å; P1052-W1081 HydrophobicContact CB-CH2 4.22Å; R1079-W1081 VanDerWaalsContact O-CD1 3.23Å |
| 1082 | H | 91.2 | Very high | 79.8 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.023 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.2 | 174.7 | -74.2 | 178.5 | 0 | 0 | 0 | 111 | V853 A854 E855 W905 Y906 S908 | V853-H1082 HydrophobicContact CB-CB 4.42Å; A854-H1082 CarbonylContact O-C 3.38Å; A854-H1082 VanDerWaalsContact O-CA 3.29Å; A854-H1082 WeakPolarHBondContact O-CA 3.4Å; E855-H1082 IonicContact OE2-CD2 3.1Å; E855-H1082 IonicContact OE2-CE1 2.76Å; E855-H1082 IonicContact OE2-NE2 3.94Å; E855-H1082 PolarHBondContact OE2-NE2 3.48Å; W905-H1082 WeakPolarHBondContact CA-O 3.34Å; W905-H1082 VanDerWaalsContact CE3-C 3.47Å; Y906-H1082 VanDerWaalsContact CD1-O 3.26Å; Y906-H1082 WeakPolarHBondContact CD1-O 3.23Å; Y906-H1082 HydrophobicContact CE1-CB 4.02Å; Y906-H1082 HydrophobicContact CE2-CB 3.93Å; Y906-H1082 PolarHBondContact N-O 3.24Å; Y906-H1082 PolarHBondContact O-N 3.11Å; S908-H1082 WeakPolarHBondContact CB-ND1 3.39Å; S908-H1082 PolarHBondContact OG-ND1 2.78Å |
| 1083 | R | 92.3 | Very high | 78.5 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 127.7 | 166.9 | -171 | 176.7 | -172.1 | 172.8 | 8 | 109.8 | V853 A854 W901 G903 D904 W905 | V853-R1083 CarbonylContact C-O 3.5Å; V853-R1083 VanDerWaalsContact CA-O 3.31Å; V853-R1083 WeakPolarHBondContact CA-O 3.46Å; A854-R1083 PolarHBondContact N-O 2.75Å; A854-R1083 PolarHBondContact O-N 3.2Å; W901-R1083 HydrophobicContact CD2-CG 4.34Å; W901-R1083 HydrophobicContact CE3-CB 4.19Å; W901-R1083 VanDerWaalsContact CE3-CD 3.45Å; W901-R1083 HydrophobicContact CE3-CG 3.59Å; W901-R1083 HydrophobicContact CZ3-CB 3.98Å; W901-R1083 HydrophobicContact CZ3-CG 3.91Å; G903-R1083 PolarHBondContact O-NE 3.29Å; G903-R1083 PolarHBondContact O-NH2 2.81Å; G903-R1083 VanDerWaalsContact O-NH2 3.15Å; D904-R1083 IonicContact OD1-CZ 3.96Å; D904-R1083 IonicContact OD1-NH2 3.99Å; W905-R1083 HydrophobicContact CD2-CB 3.58Å; W905-R1083 HydrophobicContact CD2-CG 4.39Å; W905-R1083 HydrophobicContact CE3-CB 3.61Å; W905-R1083 HydrophobicContact CG-CB 4.07Å; W905-R1083 HydrophobicContact CG-CG 4.46Å; W905-R1083 HydrophobicContact CH2-CB 4.23Å; W905-R1083 HydrophobicContact CZ2-CB 4.22Å; W905-R1083 HydrophobicContact CZ3-CB 3.94Å |
| 1084 | A | 90.8 | Very high | 77.3 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 12% | 0.116 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 146.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V852 V853 V902 | V852-A1084 WeakPolarHBondContact O-CA 3.5Å; V853-A1084 HydrophobicContact CG1-CB 4.36Å; V902-A1084 HydrophobicContact CB-CB 4.15Å; V902-A1084 PolarHBondContact N-O 2.91Å |
| 1085 | L | 89.4 | Confident | 75.9 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.2 | 171.9 | 42.5 | 138.7 | 0 | 0 | 0 | 110.3 | V852 A854 L895 W899 E900 W901 L1099 | V852-L1085 HydrophobicContact CB-CD1 4.23Å; V852-L1085 HydrophobicContact CB-CG 4.16Å; V852-L1085 HydrophobicContact CG1-CD1 3.56Å; V852-L1085 HydrophobicContact CG1-CG 3.88Å; V852-L1085 PolarHBondContact O-N 3.07Å; A854-L1085 HydrophobicContact CB-CD2 3.89Å; A854-L1085 VanDerWaalsContact N-CD2 3.3Å; L895-L1085 HydrophobicContact CD2-CB 4.03Å; L895-L1085 HydrophobicContact CD2-CD1 4.31Å; L895-L1085 HydrophobicContact CD2-CD2 4.42Å; L895-L1085 HydrophobicContact CD2-CG 4.5Å; W899-L1085 HydrophobicContact CD2-CD1 4.23Å; W899-L1085 HydrophobicContact CE3-CB 4.12Å; W899-L1085 HydrophobicContact CE3-CD1 3.59Å; W899-L1085 HydrophobicContact CE3-CG 4.29Å; W899-L1085 HydrophobicContact CZ3-CD1 3.85Å; W899-L1085 HydrophobicContact CZ3-CG 4.47Å; E900-L1085 VanDerWaalsContact O-CA 3.3Å; E900-L1085 WeakPolarHBondContact O-CA 3.49Å; W901-L1085 HydrophobicContact CE3-CB 4.24Å; W901-L1085 HydrophobicContact CE3-CD2 4.22Å; W901-L1085 HydrophobicContact CH2-CD2 4.27Å; W901-L1085 HydrophobicContact CZ3-CB 4.38Å; W901-L1085 HydrophobicContact CZ3-CD2 3.55Å; L1085-L1099 HydrophobicContact CD1-CD2 4.19Å |
| 1086 | A | 84 | Confident | 74.8 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | W899 E900 V902 | W899-A1086 WeakPolarHBondContact CA-O 3.35Å; W899-A1086 VanDerWaalsContact CE3-C 3.43Å; E900-A1086 PolarHBondContact N-O 2.85Å; E900-A1086 PolarHBondContact O-N 3.35Å; V902-A1086 HydrophobicContact CG2-CB 3.55Å |
| 1087 | P | 78.2 | Confident | 73.9 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 138.3 | 171.2 | 29 | -34.4 | 0 | 0 | 0 | 110.6 | G898 E1089 T1094 | G898-P1087 CarbonylContact O-C 3.55Å; G898-P1087 WeakPolarHBondContact O-CA 3.31Å; P1087-E1089 VanDerWaalsContact C-N 3.34Å; P1087-T1094 HydrophobicContact CB-CG2 3.74Å |
| 1088 | K | 74.3 | Confident | 73.3 | Confident | 130 Ų | 130 | 56.1 Ų | 56.1 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -66.9 | -33 | -179.8 | -73.3 | -178.8 | 175.6 | 179 | 0 | 113.2 | G898 W899 E900 | G898-K1088 WeakPolarHBondContact O-CB 3.36Å; G898-K1088 PolarHBondContact O-N 2.63Å; W899-K1088 WeakPolarHBondContact O-CE 3.19Å; E900-K1088 HydrophobicContact CB-CG 3.93Å; E900-K1088 HydrophobicContact CG-CG 3.96Å |
| 1089 | E | 64.3 | Low | 72.8 | Confident | 116 Ų | 116 | 54.3 Ų | 54.3 | 54% | 0.542 | 30% | 0.297 | S | S | . | . | trans | -133.6 | 135.8 | 177.4 | -78.1 | 178.4 | 178.9 | 0 | 0 | 108.9 | P1087 S1091 S1092 | P1087-E1089 VanDerWaalsContact C-N 3.34Å; E1089-S1091 VanDerWaalsContact C-N 3.31Å; E1089-S1091 PolarHBondContact O-N 3.12Å; E1089-S1092 VanDerWaalsContact CB-OG 3.24Å; E1089-S1092 WeakPolarHBondContact CB-OG 3.29Å; E1089-S1092 WeakPolarHBondContact OE2-CB 3.44Å; E1089-S1092 PolarHBondContact OE2-OG 3.13Å | ||
| 1090 | L | 56.3 | Low | 72.2 | Confident | 166 Ų | 166 | 58 Ų | 58 | 87% | 0.869 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -70.1 | -27.5 | 178.3 | -112.5 | 80.7 | 0 | 0 | 0 | 112.8 | ||
| 1091 | S | 49.4 | Very low | 71.5 | Confident | 116 Ų | 116 | 58 Ų | 58 | 81% | 0.811 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -110.2 | -2.6 | -163.5 | 60.7 | 0 | 0 | 0 | 0 | 115.7 | E1089 | E1089-S1091 VanDerWaalsContact C-N 3.31Å; E1089-S1091 PolarHBondContact O-N 3.12Å |
| 1092 | S | 43.2 | Very low | 70.7 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -107.5 | 147.1 | -179.6 | 53 | 0 | 0 | 0 | 0 | 111.2 | E1089 T1094 | E1089-S1092 VanDerWaalsContact CB-OG 3.24Å; E1089-S1092 WeakPolarHBondContact CB-OG 3.29Å; E1089-S1092 WeakPolarHBondContact OE2-CB 3.44Å; E1089-S1092 PolarHBondContact OE2-OG 3.13Å; S1092-T1094 WeakPolarHBondContact O-CA 3.48Å; S1092-T1094 PolarHBondContact O-N 3.28Å; S1092-T1094 PolarHBondContact O-OG1 3.02Å |
| 1093 | E | 44.5 | Very low | 69 | Low | 187 Ų | 187 | 67.2 Ų | 67.2 | 87% | 0.874 | 36% | 0.362 | S | S | * | . | trans | -27.9 | 62.7 | 175.5 | -60.3 | 175.1 | 157.3 | 0 | 0 | 115.9 | S1095 | E1093-S1095 PolarHBondContact O-N 3.34Å; E1093-S1095 PolarHBondContact O-OG 2.89Å | ||
| 1094 | T | 50.4 | Low | 67 | Low | 17 Ų | 17 | 70.3 Ų | 70.3 | 10% | 0.104 | 39% | 0.392 | C | S | . | . | trans | -76.9 | 102.2 | -172.1 | 5 | 0 | 0 | 0 | 0 | 107.2 | R838 P1087 S1092 | R838-T1094 PolarHBondContact NH1-O 3.45Å; R838-T1094 VanDerWaalsContact NH1-O 3.16Å; R838-T1094 PolarHBondContact NH2-OG1 2.9Å; P1087-T1094 HydrophobicContact CB-CG2 3.74Å; S1092-T1094 WeakPolarHBondContact O-CA 3.48Å; S1092-T1094 PolarHBondContact O-N 3.28Å; S1092-T1094 PolarHBondContact O-OG1 3.02Å | ||
| 1095 | S | 56 | Low | 64.8 | Low | 65 Ų | 65 | 73.8 Ų | 73.8 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | trans | -52.8 | 160.2 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | W899 E1093 C1097 | W899-S1095 PolarHBondContact NE1-O 2.99Å; E1093-S1095 PolarHBondContact O-N 3.34Å; E1093-S1095 PolarHBondContact O-OG 2.89Å; S1095-C1097 PolarHBondContact O-N 3.22Å | ||
| 1096 | S | 62.9 | Low | 62.3 | Low | 49 Ų | 49 | 83.5 Ų | 83.5 | 34% | 0.343 | 46% | 0.457 | S | S | . | . | trans | -29.4 | 132.9 | 170.8 | -176.1 | 0 | 0 | 0 | 0 | 113.6 | P896 V1098 | P896-S1096 WeakPolarHBondContact CG-O 3.48Å; S1096-V1098 PolarHBondContact O-N 3.4Å; S1096-V1098 WeakPolarHBondContact OG-CG2 3.5Å; S1096-V1098 PolarHBondContact OG-N 2.87Å | ||
| 1097 | C | 69.5 | Low | 59.9 | Low | 8 Ų | 8 | 90.1 Ų | 90.1 | 5% | 0.054 | 48% | 0.483 | C | S | . | . | trans | -77.1 | 6.1 | 176.2 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | M630 W899 S1095 L1099 P1123 | M630-C1097 WeakPolarHBondContact CE-SG 3.36Å; W899-C1097 HydrophobicContact CH2-CB 4.12Å; W899-C1097 HydrophobicContact CZ2-CB 3.65Å; S1095-C1097 PolarHBondContact O-N 3.22Å; C1097-L1099 PolarHBondContact O-N 2.98Å; C1097-P1123 HydrophobicContact CB-CG 4.04Å; C1097-P1123 VanDerWaalsContact O-CD 3.31Å; C1097-P1123 WeakPolarHBondContact O-CD 3.5Å; C1097-P1123 WeakPolarHBondContact SG-CG 3.26Å | ||
| 1098 | V | 77.9 | Confident | 57.8 | Low | 14 Ų | 14 | 92.4 Ų | 92.4 | 9% | 0.085 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 128.2 | 178 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | T599 P600 P896 S1096 L1120 V1122 | T599-V1098 HydrophobicContact CG2-CG2 4.26Å; P600-V1098 VanDerWaalsContact O-CG2 3.25Å; P600-V1098 WeakPolarHBondContact O-CG2 3.42Å; P896-V1098 WeakPolarHBondContact CG-O 3.47Å; S1096-V1098 PolarHBondContact O-N 3.4Å; S1096-V1098 WeakPolarHBondContact OG-CG2 3.5Å; S1096-V1098 PolarHBondContact OG-N 2.87Å; V1098-L1120 HydrophobicContact CG1-CB 3.96Å; V1098-L1120 HydrophobicContact CG1-CD1 4.37Å; V1098-L1120 HydrophobicContact CG1-CD2 3.83Å; V1098-L1120 HydrophobicContact CG1-CG 4.25Å; V1098-V1122 HydrophobicContact CG2-CG1 4.31Å |
| 1099 | L | 81.7 | Confident | 55.8 | Low | 1 Ų | 1 | 96.3 Ų | 96.3 | 1% | 0.005 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 140.6 | -174.9 | -55.5 | 173.2 | 0 | 0 | 0 | 110.1 | A854 I893 L895 L1085 C1097 L1120 T1121 P1123 | A854-L1099 HydrophobicContact CB-CD1 3.75Å; I893-L1099 HydrophobicContact CG2-CB 3.95Å; I893-L1099 HydrophobicContact CG2-CD1 3.87Å; I893-L1099 HydrophobicContact CG2-CD2 4.49Å; I893-L1099 HydrophobicContact CG2-CG 4.33Å; L895-L1099 HydrophobicContact CD2-CD2 3.86Å; L1085-L1099 HydrophobicContact CD1-CD2 4.19Å; C1097-L1099 PolarHBondContact O-N 2.98Å; L1099-L1120 CarbonylContact O-C 3.58Å; L1099-L1120 VanDerWaalsContact O-CA 3.29Å; L1099-L1120 WeakPolarHBondContact O-CA 3.48Å; L1099-T1121 HydrophobicContact CB-CG2 3.71Å; L1099-T1121 WeakPolarHBondContact CB-O 3.4Å; L1099-T1121 HydrophobicContact CD1-CG2 4.17Å; L1099-T1121 HydrophobicContact CG-CG2 4.49Å; L1099-T1121 PolarHBondContact N-O 2.95Å; L1099-T1121 PolarHBondContact O-N 3.19Å; L1099-P1123 HydrophobicContact CD1-CB 4.29Å |
| 1100 | Q | 78.8 | Confident | 54.2 | Low | 106 Ų | 106 | 95.2 Ų | 95.2 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 149.4 | 175.2 | -77.3 | 178.6 | -4.2 | 0 | 0 | 111.5 | I893 Q894 N1119 L1120 | I893-Q1100 CarbonylContact C-O 3.49Å; I893-Q1100 WeakPolarHBondContact CA-O 3.25Å; Q894-Q1100 HydrophobicContact CB-CB 4.14Å; Q894-Q1100 PolarHBondContact N-O 2.59Å; Q894-Q1100 PolarHBondContact O-N 2.8Å; Q1100-N1119 CarbonylContact C-O 3.57Å; Q1100-N1119 VanDerWaalsContact CA-O 3.23Å; Q1100-N1119 WeakPolarHBondContact CA-O 3.43Å; Q1100-L1120 HydrophobicContact CG-CD2 3.61Å |
| 1101 | I | 76.7 | Confident | 52.9 | Low | 17 Ų | 17 | 91.7 Ų | 91.7 | 9% | 0.087 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.9 | 178.9 | -52.9 | 169.3 | 0 | 0 | 0 | 108.5 | L888 S892 S1103 N1119 T1121 | L888-I1101 HydrophobicContact CD1-CD1 3.39Å; L888-I1101 HydrophobicContact CD1-CG1 3.75Å; S892-I1101 CarbonylContact O-C 3.6Å; S892-I1101 WeakPolarHBondContact O-CA 3.21Å; I1101-S1103 PolarHBondContact O-N 3.42Å; I1101-N1119 HydrophobicContact CB-CB 3.83Å; I1101-N1119 PolarHBondContact N-O 3.01Å; I1101-N1119 WeakPolarHBondContact O-CB 3.35Å; I1101-N1119 PolarHBondContact O-ND2 2.67Å; I1101-T1121 HydrophobicContact CD1-CG2 4.47Å; I1101-T1121 HydrophobicContact CG1-CG2 4.28Å |
| 1102 | R | 73.5 | Confident | 52 | Low | 147 Ų | 147 | 93.6 Ų | 93.6 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | trans | -74 | 118.8 | 170.9 | -75 | 174.3 | 174.3 | 170.9 | -1.2 | 109.5 | S892 Q894 S1104 | S892-R1102 PolarHBondContact O-N 2.63Å; Q894-R1102 VanDerWaalsContact CD-CG 3.47Å; Q894-R1102 HydrophobicContact CG-CG 3.73Å; R1102-S1104 PolarHBondContact O-N 2.8Å | ||
| 1103 | S | 56.1 | Low | 51.4 | Low | 76 Ų | 76 | 101.1 Ų | 101.1 | 53% | 0.531 | 54% | 0.538 | S | S | . | . | trans | -65.7 | 119.6 | 163.8 | 154.8 | 0 | 0 | 0 | 0 | 109.4 | I1101 N1119 | I1101-S1103 PolarHBondContact O-N 3.42Å; S1103-N1119 WeakPolarHBondContact CB-ND2 3.5Å; S1103-N1119 PolarHBondContact N-ND2 2.92Å | ||
| 1104 | S | 49.1 | Very low | 50.8 | Low | 115 Ų | 115 | 99.2 Ų | 99.2 | 80% | 0.804 | 53% | 0.533 | S | S | * | . | trans | -97.4 | -2.8 | 174.5 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | R1102 K1106 | R1102-S1104 PolarHBondContact O-N 2.8Å; S1104-K1106 PolarHBondContact O-N 2.84Å | ||
| 1105 | S | 45.2 | Very low | 50 | Low | 87 Ų | 87 | 105 Ų | 105 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | trans | -97.3 | 96.4 | -172.8 | 42.7 | 0 | 0 | 0 | 0 | 113.1 | Q1107 | S1105-Q1107 PolarHBondContact O-N 2.8Š| ||
| 1106 | K | 37.5 | Very low | 49 | Very low | 211 Ų | 211 | 111.5 Ų | 111.5 | 92% | 0.917 | 58% | 0.576 | S | S | * | * | trans | -70.1 | 70.1 | 150.3 | -75.8 | -175.5 | 175.3 | 179.6 | 0 | 109.3 | S1104 | S1104-K1106 PolarHBondContact O-N 2.84Š| ||
| 1107 | Q | 33.6 | Very low | 48.1 | Very low | 169 Ų | 169 | 116 Ų | 116 | 79% | 0.79 | 59% | 0.59 | S | S | * | * | trans | -148.2 | 119.5 | 174.6 | -85.5 | -157.2 | -15.3 | 0 | 0 | 113.8 | S1105 | S1105-Q1107 PolarHBondContact O-N 2.8Š| ||
| 1108 | V | 34.1 | Very low | 47.2 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | trans | 78.5 | 89.7 | 149.3 | -168.5 | 0 | 0 | 0 | 0 | 116.5 | S1110 | V1108-S1110 WeakPolarHBondContact CG1-OG 3.18Å; V1108-S1110 PolarHBondContact O-N 3.29Å | ||
| 1109 | E | 31.7 | Very low | 46.6 | Very low | 211 Ų | 211 | 124.8 Ų | 124.8 | 99% | 0.986 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -63.2 | 14 | 166.1 | -78.5 | 178.8 | 143.2 | 0 | 0 | 114.8 | ||
| 1110 | S | 30.1 | Very low | 46.2 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | trans | -135.9 | 65.4 | -169.1 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | V1108 | V1108-S1110 WeakPolarHBondContact CG1-OG 3.18Å; V1108-S1110 PolarHBondContact O-N 3.29Å | ||
| 1111 | S | 29.2 | Very low | 46.3 | Very low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -174.6 | 100.8 | 151.1 | 41.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1112 | L | 30.3 | Very low | 46.7 | Very low | 157 Ų | 157 | 124.4 Ų | 124.4 | 82% | 0.822 | 64% | 0.635 | S | S | * | * | trans | 61.4 | 136.5 | 158.9 | -60.2 | 163.9 | 0 | 0 | 0 | 115.9 | L1114 | L1112-L1114 PolarHBondContact O-N 2.7Š| ||
| 1113 | K | 30.1 | Very low | 47.5 | Very low | 204 Ų | 204 | 117.5 Ų | 117.5 | 89% | 0.887 | 61% | 0.609 | S | S | * | * | trans | -67.5 | 61.2 | -179.4 | -61.4 | 169.5 | 178 | 171.9 | 0 | 111.1 | K1115 | K1113-K1115 PolarHBondContact O-N 2.86Š| ||
| 1114 | L | 33.4 | Very low | 49.1 | Very low | 147 Ų | 147 | 115 Ų | 115 | 77% | 0.77 | 59% | 0.588 | S | S | * | * | trans | -63.8 | 89.4 | 159.3 | -101.8 | 108.3 | 0 | 0 | 0 | 105.9 | L1112 K1116 | L1112-L1114 PolarHBondContact O-N 2.7Å; L1114-K1116 PolarHBondContact O-N 2.89Å | ||
| 1115 | K | 33.2 | Very low | 51.1 | Low | 139 Ų | 139 | 109.8 Ų | 109.8 | 60% | 0.604 | 55% | 0.551 | S | S | * | * | trans | -36.1 | 125.2 | 173 | -68.7 | 171.2 | 178.7 | 170.3 | 0 | 107.5 | E398 K1113 K1117 | E398-K1115 IonicContact OE1-NZ 3.46Å; E398-K1115 IonicContact OE2-NZ 3.3Å; E398-K1115 PolarHBondContact OE2-NZ 2.66Å; K1113-K1115 PolarHBondContact O-N 2.86Å; K1115-K1117 VanDerWaalsContact C-N 3.25Å; K1115-K1117 PolarHBondContact O-N 2.68Å | ||
| 1116 | K | 34.3 | Very low | 53.2 | Low | 200 Ų | 200 | 106.7 Ų | 106.7 | 87% | 0.87 | 53% | 0.527 | S | S | * | . | trans | -14.7 | 81.8 | 170.8 | -70 | 172.3 | 175 | 175.4 | 0 | 111.5 | L1114 E1118 | L1114-K1116 PolarHBondContact O-N 2.89Å; K1116-E1118 PolarHBondContact O-N 2.75Å | ||
| 1117 | K | 44.6 | Very low | 55.7 | Low | 144 Ų | 144 | 96.8 Ų | 96.8 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | trans | -70.3 | 98.6 | 168.6 | -117.9 | -178.2 | -179.4 | 178.1 | 0 | 102.7 | E596 K1115 N1119 | E596-K1117 WeakPolarHBondContact OE1-CE 3.27Å; E596-K1117 IonicContact OE1-NZ 2.62Å; E596-K1117 PolarHBondContact OE1-NZ 2.99Å; K1115-K1117 VanDerWaalsContact C-N 3.25Å; K1115-K1117 PolarHBondContact O-N 2.68Å; K1117-N1119 PolarHBondContact O-N 3.4Å | ||
| 1118 | E | 50 | Low | 58.1 | Low | 137 Ų | 137 | 94.5 Ų | 94.5 | 64% | 0.64 | 47% | 0.468 | S | S | * | . | trans | -50.3 | 115.7 | 176.9 | -61 | -177.2 | 142.6 | 0 | 0 | 106.5 | K1116 L1120 | K1116-E1118 PolarHBondContact O-N 2.75Å; E1118-L1120 HydrophobicContact CB-CB 4.43Å; E1118-L1120 HydrophobicContact CB-CD1 3.6Å; E1118-L1120 HydrophobicContact CB-CG 3.74Å; E1118-L1120 HydrophobicContact CG-CD1 4.34Å; E1118-L1120 PolarHBondContact O-N 2.92Å; E1118-L1120 WeakPolarHBondContact OE2-CD1 3.37Å | ||
| 1119 | N | 65.4 | Low | 60.5 | Low | 70 Ų | 70 | 90.5 Ų | 90.5 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | trans | -39.8 | 59.2 | 151.9 | -78.3 | -16.8 | 0 | 0 | 0 | 112.9 | Q1100 I1101 S1103 K1117 | Q1100-N1119 CarbonylContact C-O 3.57Å; Q1100-N1119 VanDerWaalsContact CA-O 3.23Å; Q1100-N1119 WeakPolarHBondContact CA-O 3.43Å; I1101-N1119 HydrophobicContact CB-CB 3.83Å; I1101-N1119 PolarHBondContact N-O 3.01Å; I1101-N1119 WeakPolarHBondContact O-CB 3.35Å; I1101-N1119 PolarHBondContact O-ND2 2.67Å; S1103-N1119 WeakPolarHBondContact CB-ND2 3.5Å; S1103-N1119 PolarHBondContact N-ND2 2.92Å; K1117-N1119 PolarHBondContact O-N 3.4Å | ||
| 1120 | L | 74.5 | Confident | 62.5 | Low | 43 Ų | 43 | 89.6 Ų | 89.6 | 23% | 0.225 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.4 | -179 | -63.9 | 172.1 | 0 | 0 | 0 | 109.7 | V1098 L1099 Q1100 E1118 | V1098-L1120 HydrophobicContact CG1-CB 3.96Å; V1098-L1120 HydrophobicContact CG1-CD1 4.37Å; V1098-L1120 HydrophobicContact CG1-CD2 3.83Å; V1098-L1120 HydrophobicContact CG1-CG 4.25Å; L1099-L1120 CarbonylContact O-C 3.58Å; L1099-L1120 VanDerWaalsContact O-CA 3.29Å; L1099-L1120 WeakPolarHBondContact O-CA 3.48Å; Q1100-L1120 HydrophobicContact CG-CD2 3.61Å; E1118-L1120 HydrophobicContact CB-CB 4.43Å; E1118-L1120 HydrophobicContact CB-CD1 3.6Å; E1118-L1120 HydrophobicContact CB-CG 3.74Å; E1118-L1120 HydrophobicContact CG-CD1 4.34Å; E1118-L1120 PolarHBondContact O-N 2.92Å; E1118-L1120 WeakPolarHBondContact OE2-CD1 3.37Å |
| 1121 | T | 80.8 | Confident | 64.8 | Low | 26 Ų | 26 | 88.2 Ų | 88.2 | 16% | 0.16 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 157.2 | 171.4 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | L888 L1099 I1101 | L888-T1121 HydrophobicContact CD1-CG2 3.87Å; L888-T1121 HydrophobicContact CD2-CG2 4.39Å; L1099-T1121 HydrophobicContact CB-CG2 3.71Å; L1099-T1121 WeakPolarHBondContact CB-O 3.4Å; L1099-T1121 HydrophobicContact CD1-CG2 4.17Å; L1099-T1121 HydrophobicContact CG-CG2 4.49Å; L1099-T1121 PolarHBondContact N-O 2.95Å; L1099-T1121 PolarHBondContact O-N 3.19Å; I1101-T1121 HydrophobicContact CD1-CG2 4.47Å; I1101-T1121 HydrophobicContact CG1-CG2 4.28Å |
| 1122 | V | 84.5 | Confident | 67.3 | Low | 46 Ų | 46 | 85.7 Ų | 85.7 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | trans | -108.1 | 140.8 | -178.8 | -67 | 0 | 0 | 0 | 0 | 110.4 | P600 V1098 | P600-V1122 HydrophobicContact CB-CG1 3.64Å; P600-V1122 WeakPolarHBondContact O-CG1 3.46Å; V1098-V1122 HydrophobicContact CG2-CG1 4.31Å | ||
| 1123 | P | 88.9 | Confident | 70 | Confident | 2 Ų | 2 | 79.6 Ų | 79.6 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | trans | -73.2 | 166 | 173.9 | 32.2 | -34.2 | 0 | 0 | 0 | 111 | A602 V852 V853 C1097 L1099 | A602-P1123 WeakPolarHBondContact CB-O 3.4Å; V852-P1123 HydrophobicContact CG1-CB 3.55Å; V852-P1123 HydrophobicContact CG1-CG 3.62Å; V853-P1123 CarbonylContact O-C 3.57Å; V853-P1123 VanDerWaalsContact O-CA 3.31Å; V853-P1123 WeakPolarHBondContact O-CA 3.47Å; V853-P1123 VanDerWaalsContact O-CB 3.24Å; V853-P1123 WeakPolarHBondContact O-CB 3.46Å; C1097-P1123 HydrophobicContact CB-CG 4.04Å; C1097-P1123 VanDerWaalsContact O-CD 3.31Å; C1097-P1123 WeakPolarHBondContact O-CD 3.5Å; C1097-P1123 WeakPolarHBondContact SG-CG 3.26Å; L1099-P1123 HydrophobicContact CD1-CB 4.29Å | ||
| 1124 | R | 90.3 | Very high | 72.6 | Confident | 23 Ų | 23 | 73 Ų | 73 | 9% | 0.087 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 141.6 | 164.4 | -65 | -68.5 | -172.6 | 174.1 | -1.8 | 109.3 | T604 T605 V853 E855 N882 F1126 | T604-R1124 PolarHBondContact O-NH1 2.82Å; T604-R1124 PolarHBondContact OG1-NH1 2.84Å; T605-R1124 PolarHBondContact O-NH1 2.76Å; V853-R1124 HydrophobicContact CG2-CB 3.81Å; V853-R1124 PolarHBondContact N-O 2.83Å; V853-R1124 PolarHBondContact O-N 2.79Å; E855-R1124 HydrophobicContact CB-CG 4.23Å; E855-R1124 IonicContact OE1-NE 3.16Å; E855-R1124 PolarHBondContact OE1-NE 3.04Å; E855-R1124 IonicContact OE1-NH2 2.79Å; N882-R1124 PolarHBondContact ND2-NH2 3.02Å; R1124-F1126 HydrophobicContact CB-CD2 4.32Å; R1124-F1126 HydrophobicContact CB-CE2 3.57Å; R1124-F1126 HydrophobicContact CB-CZ 4.1Å; R1124-F1126 HydrophobicContact CG-CE2 4.47Å |
| 1125 | I | 91.2 | Very high | 75.3 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.1 | 177.2 | -50.1 | 173.5 | 0 | 0 | 0 | 107.9 | A602 C628 M630 L850 Q851 V852 | A602-I1125 HydrophobicContact CB-CD1 3.87Å; A602-I1125 HydrophobicContact CB-CG1 4.21Å; C628-I1125 HydrophobicContact CB-CB 4.34Å; C628-I1125 HydrophobicContact CB-CG2 3.98Å; C628-I1125 PolarHBondContact N-O 3.2Å; C628-I1125 WeakPolarHBondContact O-CB 3.08Å; M630-I1125 HydrophobicContact CB-CD1 3.53Å; M630-I1125 HydrophobicContact CE-CD1 4.28Å; M630-I1125 HydrophobicContact SD-CD1 4.5Å; L850-I1125 HydrophobicContact CD1-CG2 4.09Å; L850-I1125 HydrophobicContact CD2-CG2 3.75Å; L850-I1125 HydrophobicContact CG-CG2 3.74Å; Q851-I1125 WeakPolarHBondContact O-CA 3.3Å; V852-I1125 HydrophobicContact CG1-CG1 4.48Å; V852-I1125 HydrophobicContact CG2-CG1 4.43Å |
| 1126 | F | 90.3 | Very high | 78 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.1 | 176.9 | -62.9 | -83 | 0 | 0 | 0 | 109.9 | P606 D625 K626 Q851 V853 R1124 | P606-F1126 HydrophobicContact CG-CE1 3.83Å; P606-F1126 HydrophobicContact CG-CZ 3.77Å; D625-F1126 HydrophobicContact CB-CB 4.41Å; D625-F1126 HydrophobicContact CB-CD1 4.24Å; D625-F1126 HydrophobicContact CB-CG 4.47Å; D625-F1126 WeakPolarHBondContact O-CD1 3.23Å; K626-F1126 CarbonylContact O-C 3.57Å; K626-F1126 VanDerWaalsContact O-CA 3.31Å; K626-F1126 WeakPolarHBondContact O-CA 3.23Å; Q851-F1126 PolarHBondContact N-O 3.43Å; Q851-F1126 PolarHBondContact O-N 3.37Å; V853-F1126 HydrophobicContact CG2-CD2 4.09Å; V853-F1126 HydrophobicContact CG2-CE2 3.8Å; R1124-F1126 HydrophobicContact CB-CD2 4.32Å; R1124-F1126 HydrophobicContact CB-CE2 3.57Å; R1124-F1126 HydrophobicContact CB-CZ 4.1Å; R1124-F1126 HydrophobicContact CG-CE2 4.47Å |
| 1127 | M | 88.3 | Confident | 80.7 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 101.3 | 166.8 | -72.5 | -66.6 | -78.3 | 0 | 0 | 107.5 | A566 K626 C628 H845 A848 L850 F1129 | A566-M1127 HydrophobicContact CB-CG 4.19Å; K626-M1127 HydrophobicContact CB-CB 4.36Å; K626-M1127 PolarHBondContact N-O 3.08Å; K626-M1127 PolarHBondContact O-N 3.12Å; C628-M1127 HydrophobicContact CB-CG 3.85Å; H845-M1127 HydrophobicContact CB-CE 3.41Å; H845-M1127 VanDerWaalsContact CB-CE 3.41Å; A848-M1127 HydrophobicContact CB-CB 4.34Å; A848-M1127 HydrophobicContact CB-CE 3.59Å; L850-M1127 HydrophobicContact CB-SD 4.02Å; L850-M1127 HydrophobicContact CD1-SD 4.03Å; L850-M1127 HydrophobicContact CG-SD 4.23Å; M1127-F1129 HydrophobicContact CB-CE2 4.07Å; M1127-F1129 WeakPolarHBondContact O-CD2 3.46Å |
| 1128 | R | 85.8 | Confident | 82.9 | Confident | 120 Ų | 120 | 43.9 Ų | 43.9 | 45% | 0.453 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 107.4 | -179.3 | -176.8 | 169.5 | -166.6 | 131.9 | 3.8 | 110.2 | D625 A848 K849 | D625-R1128 WeakPolarHBondContact OD1-CB 3.43Å; D625-R1128 VanDerWaalsContact OD1-CD 3.28Å; D625-R1128 WeakPolarHBondContact OD1-CD 3.11Å; D625-R1128 WeakPolarHBondContact OD1-CG 3.43Å; D625-R1128 IonicContact OD1-CZ 3.98Å; D625-R1128 IonicContact OD1-NE 2.8Å; D625-R1128 IonicContact OD1-NH1 2.65Å; D625-R1128 IonicContact OD2-NH1 3.66Å; A848-R1128 CarbonylContact C-O 3.56Å; A848-R1128 VanDerWaalsContact CA-O 3.32Å; A848-R1128 WeakPolarHBondContact CA-O 3.36Å; K849-R1128 PolarHBondContact N-O 3.45Å; K849-R1128 PolarHBondContact O-N 2.95Å |
| 1129 | F | 82.9 | Confident | 85 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.4 | 177.6 | -71.2 | -97.3 | 0 | 0 | 0 | 110.5 | L568 D624 K626 E847 A848 M1127 C1194 | L568-F1129 HydrophobicContact CD2-CE2 4.4Å; L568-F1129 HydrophobicContact CD2-CZ 4.04Å; D624-F1129 PolarHBondContact O-N 2.97Å; K626-F1129 HydrophobicContact CB-CD2 4.49Å; K626-F1129 HydrophobicContact CB-CE2 4.03Å; K626-F1129 HydrophobicContact CG-CD2 3.8Å; K626-F1129 HydrophobicContact CG-CE2 3.53Å; E847-F1129 HydrophobicContact CG-CD1 4.15Å; E847-F1129 HydrophobicContact CG-CE1 4.01Å; A848-F1129 HydrophobicContact CB-CD1 3.92Å; A848-F1129 HydrophobicContact CB-CD2 4.2Å; A848-F1129 HydrophobicContact CB-CE1 3.92Å; A848-F1129 HydrophobicContact CB-CE2 4.17Å; A848-F1129 HydrophobicContact CB-CG 4.07Å; A848-F1129 HydrophobicContact CB-CZ 4.04Å; M1127-F1129 HydrophobicContact CB-CE2 4.07Å; M1127-F1129 WeakPolarHBondContact O-CD2 3.46Å; F1129-C1194 HydrophobicContact CB-CB 3.6Å; F1129-C1194 HydrophobicContact CD1-CB 3.83Å; F1129-C1194 HydrophobicContact CD2-CB 3.84Å; F1129-C1194 HydrophobicContact CE1-CB 4.47Å; F1129-C1194 HydrophobicContact CG-CB 3.46Å; F1129-C1194 VanDerWaalsContact CG-CB 3.46Å |
| 1130 | R | 74.2 | Confident | 86.3 | Confident | 191 Ų | 191 | 34.2 Ų | 34.2 | 72% | 0.721 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -82.2 | -26 | 178.7 | -63.1 | -177.4 | -172.8 | 172.2 | 7.1 | 112.8 | E847 | E847-R1130 PolarHBondContact O-N 3.35Å; E847-R1130 VanDerWaalsContact O-N 3.16Å |
| 1131 | T | 79.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 32.2 Ų | 32.2 | 39% | 0.393 | 15% | 0.15 | S | C | . | . | trans | -126.5 | 138.7 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | H1133 | T1131-H1133 PolarHBondContact OG1-NE2 2.85Š| ||
| 1132 | S | 80.8 | Confident | 87.7 | Confident | 40 Ų | 40 | 32.1 Ų | 32.1 | 28% | 0.28 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.6 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 107 | E1192 | S1132-E1192 WeakPolarHBondContact CB-OE1 3.48Å; S1132-E1192 VanDerWaalsContact OG-CD 3.27Å; S1132-E1192 WeakPolarHBondContact OG-CG 3.41Å; S1132-E1192 PolarHBondContact OG-OE1 3.47Å |
| 1133 | H | 87 | Confident | 87.9 | Confident | 28 Ų | 28 | 30 Ų | 30 | 13% | 0.13 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 141.7 | -171 | -67.9 | -82 | 0 | 0 | 0 | 109.7 | T1131 M1193 G1195 P1197 L1267 D1269 | T1131-H1133 PolarHBondContact OG1-NE2 2.85Å; H1133-M1193 PolarHBondContact N-O 3.06Å; H1133-M1193 PolarHBondContact O-N 2.84Å; H1133-G1195 PolarHBondContact CD2-O 3.26Å; H1133-P1197 HydrophobicContact CB-CG 4.48Å; H1133-L1267 HydrophobicContact CB-CD1 3.81Å; H1133-D1269 WeakPolarHBondContact CA-OD1 3.5Å; H1133-D1269 IonicContact CE1-OD2 2.78Å; H1133-D1269 PolarHBondContact CE1-OD2 2.85Å; H1133-D1269 IonicContact CG-OD1 2.79Å; H1133-D1269 IonicContact CG-OD2 3.37Å; H1133-D1269 VanDerWaalsContact ND1-CG 3.3Å; H1133-D1269 IonicContact ND1-OD1 3.09Å; H1133-D1269 PolarHBondContact ND1-OD1 2.77Å; H1133-D1269 IonicContact ND1-OD2 3.85Å; H1133-D1269 PolarHBondContact ND1-OD2 2.83Å |
| 1134 | I | 85.9 | Confident | 88 | Confident | 66 Ų | 66 | 30 Ų | 30 | 34% | 0.338 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.1 | -177.6 | -59.5 | 178.4 | 0 | 0 | 0 | 109 | L1268 D1269 | I1134-L1268 HydrophobicContact CG2-CB 4.41Å; I1134-L1268 WeakPolarHBondContact O-CB 2.92Å; I1134-L1268 PolarHBondContact O-N 2.8Å; I1134-D1269 PolarHBondContact N-OD1 2.89Å |
| 1135 | W | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 161.2 | -178.1 | -62.3 | 82.5 | 0 | 0 | 0 | 112.4 | H1190 I1191 M1193 P1197 I1200 V1232 L1234 L1265 I1266 L1267 | W1135-H1190 PolarHBondContact O-N 3.42Å; W1135-I1191 HydrophobicContact CB-CB 4.18Å; W1135-I1191 WeakPolarHBondContact CB-O 3.12Å; W1135-I1191 PolarHBondContact N-O 2.79Å; W1135-I1191 PolarHBondContact O-N 3.19Å; W1135-M1193 HydrophobicContact CB-CE 3.75Å; W1135-M1193 HydrophobicContact CD2-CE 3.75Å; W1135-M1193 HydrophobicContact CG-CE 3.3Å; W1135-P1197 HydrophobicContact CH2-CB 3.98Å; W1135-P1197 HydrophobicContact CZ2-CB 3.75Å; W1135-P1197 HydrophobicContact CZ2-CG 4.29Å; W1135-I1200 HydrophobicContact CH2-CB 4.19Å; W1135-I1200 HydrophobicContact CH2-CG2 3.91Å; W1135-I1200 HydrophobicContact CZ2-CB 3.99Å; W1135-I1200 HydrophobicContact CZ2-CD1 3.73Å; W1135-I1200 HydrophobicContact CZ2-CG1 4.36Å; W1135-I1200 HydrophobicContact CZ2-CG2 3.93Å; W1135-I1200 HydrophobicContact CZ3-CG2 4.48Å; W1135-V1232 HydrophobicContact CH2-CG1 3.82Å; W1135-V1232 HydrophobicContact CZ3-CG1 3.61Å; W1135-L1234 HydrophobicContact CH2-CD2 3.75Å; W1135-L1234 HydrophobicContact CZ3-CD2 4.37Å; W1135-L1265 HydrophobicContact CB-CD1 3.93Å; W1135-L1265 HydrophobicContact CD2-CG 4.34Å; W1135-L1265 HydrophobicContact CE3-CD1 4.18Å; W1135-L1265 HydrophobicContact CE3-CD2 4.11Å; W1135-L1265 HydrophobicContact CE3-CG 3.65Å; W1135-L1265 HydrophobicContact CG-CD1 4.49Å; W1135-L1265 HydrophobicContact CZ3-CD2 4.36Å; W1135-L1265 HydrophobicContact CZ3-CG 4.14Å; W1135-I1266 CarbonylContact C-O 3.15Å; W1135-I1266 VanDerWaalsContact CA-O 3.32Å; W1135-I1266 WeakPolarHBondContact CA-O 3.39Å; W1135-L1267 HydrophobicContact CD2-CB 4.44Å; W1135-L1267 HydrophobicContact CD2-CD1 3.99Å; W1135-L1267 HydrophobicContact CE3-CB 3.96Å; W1135-L1267 HydrophobicContact CE3-CD1 4.35Å; W1135-L1267 HydrophobicContact CH2-CB 4.12Å; W1135-L1267 HydrophobicContact CH2-CD1 4.25Å; W1135-L1267 HydrophobicContact CZ2-CD1 3.82Å; W1135-L1267 HydrophobicContact CZ3-CB 3.79Å; W1135-L1267 HydrophobicContact CZ3-CD1 4.48Å |
| 1136 | H | 88.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 116.2 | 179.1 | -177 | 94.8 | 0 | 0 | 0 | 109.3 | R1138 I1187 F1188 E1189 I1266 L1268 | H1136-R1138 PolarHBondContact NE2-NE 3.34Å; H1136-R1138 VanDerWaalsContact NE2-NE 3.17Å; H1136-I1187 WeakPolarHBondContact CE1-CG2 3.17Å; H1136-I1187 WeakPolarHBondContact NE2-CG2 3.46Å; H1136-F1188 WeakPolarHBondContact CA-O 3.35Å; H1136-E1189 IonicContact CE1-OE1 2.78Å; H1136-I1266 HydrophobicContact CB-CB 4.47Å; H1136-I1266 PolarHBondContact N-O 3.37Å; H1136-I1266 PolarHBondContact O-N 2.79Å; H1136-L1268 HydrophobicContact CB-CD1 3.57Å; H1136-L1268 HydrophobicContact CB-CD2 4.18Å; H1136-L1268 HydrophobicContact CB-CG 3.77Å |
| 1137 | L | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130 | 178 | 173.7 | 76.5 | 0 | 0 | 0 | 109.4 | F1164 F1188 I1191 V1207 P1230 E1264 L1265 | L1137-F1164 HydrophobicContact CB-CD1 4.39Å; L1137-F1164 HydrophobicContact CB-CE1 4.5Å; L1137-F1164 HydrophobicContact CD2-CB 3.65Å; L1137-F1164 HydrophobicContact CD2-CD1 3.74Å; L1137-F1164 HydrophobicContact CD2-CD2 3.97Å; L1137-F1164 HydrophobicContact CD2-CE1 4.34Å; L1137-F1164 HydrophobicContact CD2-CG 3.52Å; L1137-F1188 HydrophobicContact CB-CB 4.09Å; L1137-F1188 HydrophobicContact CB-CD2 4.35Å; L1137-F1188 HydrophobicContact CD2-CD2 3.87Å; L1137-F1188 HydrophobicContact CD2-CE2 4.23Å; L1137-F1188 HydrophobicContact CD2-CG 4.33Å; L1137-F1188 HydrophobicContact CG-CD2 4.2Å; L1137-F1188 PolarHBondContact N-O 2.91Å; L1137-F1188 PolarHBondContact O-N 3.04Å; L1137-I1191 HydrophobicContact CB-CD1 3.72Å; L1137-V1207 HydrophobicContact CD1-CG2 4.18Å; L1137-V1207 HydrophobicContact CD2-CG2 3.88Å; L1137-P1230 HydrophobicContact CD1-CB 3.95Å; L1137-E1264 CarbonylContact C-O 3.58Å; L1137-E1264 WeakPolarHBondContact CA-O 3.47Å; L1137-L1265 HydrophobicContact CB-CD1 3.98Å; L1137-L1265 HydrophobicContact CD1-CB 4.21Å; L1137-L1265 HydrophobicContact CD1-CD1 4.43Å |
| 1138 | R | 91.6 | Very high | 86.7 | Confident | 16 Ų | 16 | 34.8 Ų | 34.8 | 6% | 0.06 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.7 | 168.4 | -65.5 | 179.6 | 174 | -163.1 | -7 | 108.9 | H1136 Y1140 T1185 F1263 E1264 P1274 P1275 | H1136-R1138 PolarHBondContact NE2-NE 3.34Å; H1136-R1138 VanDerWaalsContact NE2-NE 3.17Å; R1138-Y1140 HydrophobicContact CB-CE1 3.98Å; R1138-Y1140 HydrophobicContact CB-CE2 4.1Å; R1138-Y1140 WeakPolarHBondContact CD-OH 3.04Å; R1138-T1185 HydrophobicContact CB-CG2 4.27Å; R1138-F1263 WeakPolarHBondContact O-CA 3.18Å; R1138-E1264 PolarHBondContact N-O 3.03Å; R1138-E1264 PolarHBondContact O-N 3.17Å; R1138-P1274 PolarHBondContact NH2-O 3.5Å; R1138-P1275 PolarHBondContact NH1-O 2.99Å; R1138-P1275 PolarHBondContact NH2-O 3.25Å |
| 1139 | A | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 108 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | I1141 T1185 L1186 F1188 F1263 | A1139-I1141 HydrophobicContact CB-CD1 4.29Å; A1139-I1141 HydrophobicContact CB-CG1 4.5Å; A1139-I1141 PolarHBondContact O-N 3.45Å; A1139-T1185 CarbonylContact O-C 3.57Å; A1139-T1185 WeakPolarHBondContact O-CA 3.25Å; A1139-L1186 HydrophobicContact CB-CB 4.23Å; A1139-L1186 PolarHBondContact N-O 3.41Å; A1139-L1186 PolarHBondContact O-N 2.76Å; A1139-F1188 HydrophobicContact CB-CE2 4.4Å; A1139-F1263 HydrophobicContact CB-CD1 3.51Å; A1139-F1263 HydrophobicContact CB-CE1 3.49Å; A1139-F1263 VanDerWaalsContact CB-CE1 3.49Å |
| 1140 | Y | 92.9 | Very high | 86.2 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 94.3 | 178.3 | -51 | -69.9 | 0 | 0 | 0 | 108.5 | R1138 T1185 A1261 A1262 E1264 V1286 P1287 I1290 | R1138-Y1140 HydrophobicContact CB-CE1 3.98Å; R1138-Y1140 HydrophobicContact CB-CE2 4.1Å; R1138-Y1140 WeakPolarHBondContact CD-OH 3.04Å; Y1140-T1185 HydrophobicContact CD1-CG2 3.63Å; Y1140-T1185 WeakPolarHBondContact CD1-OG1 3.45Å; Y1140-T1185 HydrophobicContact CE1-CG2 3.7Å; Y1140-A1261 CarbonylContact O-C 3.57Å; Y1140-A1261 WeakPolarHBondContact O-CA 3.4Å; Y1140-A1261 WeakPolarHBondContact O-CB 3.25Å; Y1140-A1262 HydrophobicContact CD2-CB 3.95Å; Y1140-A1262 WeakPolarHBondContact CD2-O 3.38Å; Y1140-A1262 PolarHBondContact N-O 3.41Å; Y1140-A1262 PolarHBondContact O-N 3.13Å; Y1140-E1264 HydrophobicContact CE2-CB 4.01Å; Y1140-E1264 PolarHBondContact OH-OE2 2.7Å; Y1140-V1286 HydrophobicContact CD1-CG1 4.45Å; Y1140-P1287 HydrophobicContact CD1-CG 4.42Å; Y1140-P1287 HydrophobicContact CE1-CG 3.88Å; Y1140-I1290 HydrophobicContact CD1-CD1 4.12Å; Y1140-I1290 HydrophobicContact CD2-CD1 3.91Å; Y1140-I1290 HydrophobicContact CE1-CD1 3.85Å; Y1140-I1290 HydrophobicContact CE2-CD1 3.61Å; Y1140-I1290 HydrophobicContact CG-CD1 4.15Å |
| 1141 | I | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 102.5 | -178.5 | -51.9 | -56.4 | 0 | 0 | 0 | 108.6 | A1139 V1160 T1171 W1182 D1183 E1184 L1186 I1209 I1259 A1261 F1263 | A1139-I1141 HydrophobicContact CB-CD1 4.29Å; A1139-I1141 HydrophobicContact CB-CG1 4.5Å; A1139-I1141 PolarHBondContact O-N 3.45Å; I1141-V1160 HydrophobicContact CG2-CB 4.47Å; I1141-V1160 HydrophobicContact CG2-CG2 4.28Å; I1141-T1171 HydrophobicContact CB-CG2 4.06Å; I1141-T1171 HydrophobicContact CG1-CG2 4.24Å; I1141-T1171 HydrophobicContact CG2-CG2 3.89Å; I1141-W1182 HydrophobicContact CG2-CD2 4.27Å; I1141-W1182 HydrophobicContact CG2-CE3 3.77Å; I1141-W1182 HydrophobicContact CG2-CZ3 4.31Å; I1141-D1183 PolarHBondContact O-N 3.35Å; I1141-E1184 PolarHBondContact N-O 3.34Å; I1141-E1184 PolarHBondContact O-N 3.03Å; I1141-L1186 HydrophobicContact CG1-CD1 4.25Å; I1141-L1186 HydrophobicContact CG1-CG 4.42Å; I1141-I1209 HydrophobicContact CD1-CD1 4.49Å; I1141-I1259 HydrophobicContact CG2-CD1 4.09Å; I1141-A1261 HydrophobicContact CD1-CB 3.99Å; I1141-F1263 HydrophobicContact CD1-CE1 3.91Å; I1141-F1263 HydrophobicContact CD1-CZ 3.75Å |
| 1142 | F | 90.8 | Very high | 85.9 | Confident | 25 Ų | 25 | 26.2 Ų | 26.2 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -63.8 | -172.6 | -167.2 | -110 | 0 | 0 | 0 | 112.1 | W1182 D1183 L1244 L1260 V1286 R1291 P1292 | F1142-W1182 PolarHBondContact O-N 3.46Å; F1142-D1183 HydrophobicContact CD2-CB 4.16Å; F1142-D1183 HydrophobicContact CE2-CB 4.12Å; F1142-D1183 PolarHBondContact O-N 2.9Å; F1142-L1244 HydrophobicContact CB-CD1 3.9Å; F1142-L1244 HydrophobicContact CB-CD2 4.13Å; F1142-L1244 HydrophobicContact CD1-CD1 4.13Å; F1142-L1244 HydrophobicContact CD2-CD1 4.34Å; F1142-L1244 HydrophobicContact CG-CD1 3.86Å; F1142-L1260 WeakPolarHBondContact CB-O 3.21Å; F1142-L1260 HydrophobicContact CD1-CD2 3.85Å; F1142-L1260 HydrophobicContact CD1-CG 4.49Å; F1142-L1260 PolarHBondContact N-O 2.91Å; F1142-L1260 VanDerWaalsContact N-O 3.08Å; F1142-V1286 HydrophobicContact CD2-CB 4.42Å; F1142-V1286 HydrophobicContact CD2-CG2 4.16Å; F1142-R1291 HydrophobicContact CE2-CG 4.32Å; F1142-P1292 HydrophobicContact CE1-CG 3.95Å; F1142-P1292 HydrophobicContact CZ-CG 4.13Å |
| 1143 | Q | 89.3 | Confident | 85.3 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 166.9 | -178.1 | 67.6 | -175.7 | 3.6 | 0 | 0 | 112.2 | P1180 I1181 W1246 I1259 L1260 Y1362 | Q1143-P1180 CarbonylContact C-O 3.48Å; Q1143-P1180 WeakPolarHBondContact CA-O 3.32Å; Q1143-P1180 VanDerWaalsContact CB-O 3.27Å; Q1143-P1180 WeakPolarHBondContact CB-O 3.45Å; Q1143-I1181 HydrophobicContact CB-CB 4.33Å; Q1143-I1181 HydrophobicContact CB-CG1 3.93Å; Q1143-I1181 HydrophobicContact CB-CG2 4.44Å; Q1143-W1246 HydrophobicContact CG-CH2 3.71Å; Q1143-W1246 HydrophobicContact CG-CZ2 4.28Å; Q1143-W1246 HydrophobicContact CG-CZ3 4.42Å; Q1143-W1246 VanDerWaalsContact NE2-CZ2 3.27Å; Q1143-I1259 WeakPolarHBondContact O-CG1 3.42Å; Q1143-L1260 HydrophobicContact CG-CB 3.75Å; Q1143-L1260 HydrophobicContact CG-CD2 3.96Å; Q1143-L1260 HydrophobicContact CG-CG 4.43Å; Q1143-L1260 PolarHBondContact N-O 3.28Å; Q1143-L1260 PolarHBondContact O-N 2.89Å; Q1143-Y1362 PolarHBondContact NE2-O 3.07Å |
| 1144 | A | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 162.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1147 C1179 P1180 W1182 E1258 I1259 | A1144-V1147 HydrophobicContact CB-CG2 3.81Å; A1144-C1179 CarbonylContact O-C 3.51Å; A1144-C1179 VanDerWaalsContact O-CA 3.23Å; A1144-C1179 WeakPolarHBondContact O-CA 3.31Å; A1144-P1180 HydrophobicContact CB-CG 3.92Å; A1144-P1180 PolarHBondContact N-O 2.62Å; A1144-W1182 HydrophobicContact CB-CH2 3.85Å; A1144-W1182 HydrophobicContact CB-CZ3 3.68Å; A1144-E1258 CarbonylContact C-O 3.51Å; A1144-E1258 WeakPolarHBondContact CA-O 3.24Å; A1144-E1258 VanDerWaalsContact CB-O 3.27Å; A1144-E1258 WeakPolarHBondContact CB-O 3.45Å; A1144-I1259 HydrophobicContact CB-CB 4.49Å; A1144-I1259 HydrophobicContact CB-CG1 4.45Å |
| 1145 | R | 84.2 | Confident | 84.1 | Confident | 53 Ų | 53 | 22.5 Ų | 22.5 | 20% | 0.2 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155.4 | 175.7 | 70.5 | -177 | -178.4 | -176.4 | 0.2 | 111.5 | V1147 W1246 G1257 E1258 P1365 T1388 | R1145-V1147 PolarHBondContact O-N 3.32Å; R1145-W1246 HydrophobicContact CB-CH2 3.96Å; R1145-W1246 HydrophobicContact CB-CZ3 4.15Å; R1145-W1246 HydrophobicContact CG-CE3 4.24Å; R1145-W1246 HydrophobicContact CG-CH2 3.67Å; R1145-W1246 HydrophobicContact CG-CZ2 4.41Å; R1145-W1246 HydrophobicContact CG-CZ3 3.58Å; R1145-G1257 WeakPolarHBondContact O-CA 3.32Å; R1145-E1258 HydrophobicContact CG-CB 4.17Å; R1145-E1258 IonicContact CZ-OE2 2.66Å; R1145-E1258 PolarHBondContact N-O 3.29Å; R1145-E1258 IonicContact NE-OE2 3.24Å; R1145-E1258 PolarHBondContact NE-OE2 3.12Å; R1145-E1258 IonicContact NH2-OE2 2.79Å; R1145-E1258 PolarHBondContact NH2-OE2 3.45Å; R1145-E1258 PolarHBondContact O-N 3.02Å; R1145-P1365 HydrophobicContact CB-CG 4.15Å; R1145-T1388 HydrophobicContact CB-CG2 4.46Å |
| 1146 | S | 78.4 | Confident | 84 | Confident | 60 Ų | 60 | 22.5 Ų | 22.5 | 42% | 0.42 | 12% | 0.118 | S | C | . | . | S | Bend | trans | 54 | 34.9 | 179.4 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | L1178 G1257 | S1146-L1178 PolarHBondContact N-O 2.79Å; S1146-G1257 WeakPolarHBondContact O-CA 3.33Å |
| 1147 | V | 86.2 | Confident | 84.2 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 147.6 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | A1144 R1145 L1178 L1211 L1223 | A1144-V1147 HydrophobicContact CB-CG2 3.81Å; R1145-V1147 PolarHBondContact O-N 3.32Å; V1147-L1178 HydrophobicContact CB-CB 4.43Å; V1147-L1178 VanDerWaalsContact CB-O 3.28Å; V1147-L1178 WeakPolarHBondContact CB-O 3.13Å; V1147-L1178 WeakPolarHBondContact CG2-O 2.91Å; V1147-L1178 PolarHBondContact N-O 2.67Å; V1147-L1178 WeakPolarHBondContact O-CD2 3.24Å; V1147-L1211 HydrophobicContact CB-CD2 4.24Å; V1147-L1211 HydrophobicContact CG1-CD2 3.59Å; V1147-L1211 HydrophobicContact CG2-CD2 3.67Å; V1147-L1223 HydrophobicContact CG1-CD1 3.36Å; V1147-L1223 HydrophobicContact CG1-CG 4.49Å |
| 1148 | L | 83.9 | Confident | 84.3 | Confident | 38 Ų | 38 | 23.5 Ų | 23.5 | 20% | 0.199 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 135 | 177.2 | -63.1 | 176.8 | 0 | 0 | 0 | 111.4 | A1150 S1156 L1223 K1251 | L1148-A1150 PolarHBondContact O-N 2.98Å; L1148-S1156 PolarHBondContact O-OG 3.15Å; L1148-L1223 HydrophobicContact CB-CD2 4.22Å; L1148-K1251 HydrophobicContact CD1-CB 4.41Å; L1148-K1251 HydrophobicContact CD1-CD 3.58Å |
| 1149 | A | 77.7 | Confident | 84.5 | Confident | 10 Ų | 10 | 22.9 Ų | 22.9 | 8% | 0.083 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 117.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1154 S1156 L1178 N1511 | A1149-G1154 VanDerWaalsContact CB-O 3.25Å; A1149-G1154 WeakPolarHBondContact CB-O 3.49Å; A1149-S1156 WeakPolarHBondContact CA-OG 3.13Å; A1149-L1178 HydrophobicContact CB-CD1 4.25Å; A1149-L1178 HydrophobicContact CB-CD2 4.01Å; A1149-N1511 PolarHBondContact O-N 2.92Å; A1149-N1511 VanDerWaalsContact O-N 3.09Å |
| 1150 | A | 80.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | trans | -115.8 | -8.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1148 L1155 S1156 D1213 H1221 L1223 K1510 | L1148-A1150 PolarHBondContact O-N 2.98Å; A1150-L1155 PolarHBondContact N-O 3.29Å; A1150-L1155 VanDerWaalsContact N-O 3.09Å; A1150-S1156 PolarHBondContact N-OG 3.08Å; A1150-D1213 HydrophobicContact CB-CB 3.65Å; A1150-D1213 WeakPolarHBondContact CB-OD2 3.35Å; A1150-H1221 HydrophobicContact CB-CB 4.26Å; A1150-L1223 HydrophobicContact CB-CD2 3.63Å; A1150-K1510 WeakPolarHBondContact O-CD 3.26Å; A1150-K1510 WeakPolarHBondContact O-CE 3.13Å; A1150-K1510 VanDerWaalsContact O-CG 3.23Å; A1150-K1510 WeakPolarHBondContact O-CG 3.49Å; A1150-K1510 PolarHBondContact O-NZ 2.85Å | ||
| 1151 | D | 78.5 | Confident | 84.6 | Confident | 26 Ų | 26 | 23.1 Ų | 23.1 | 14% | 0.139 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -95.5 | 159.4 | 174.2 | -83.8 | -38 | 0 | 0 | 0 | 114.9 | S1153 G1154 L1155 K1510 | D1151-S1153 VanDerWaalsContact CB-OG 3.26Å; D1151-S1153 WeakPolarHBondContact CB-OG 3.33Å; D1151-S1153 PolarHBondContact O-N 2.99Å; D1151-S1153 VanDerWaalsContact O-N 3.13Å; D1151-G1154 PolarHBondContact O-N 3.44Å; D1151-L1155 WeakPolarHBondContact CB-O 3.42Å; D1151-L1155 PolarHBondContact N-O 3.36Å; D1151-K1510 VanDerWaalsContact O-CG 3.24Å; D1151-K1510 WeakPolarHBondContact O-CG 3.32Å |
| 1152 | Q | 67.8 | Low | 84.6 | Confident | 172 Ų | 172 | 23.1 Ų | 23.1 | 80% | 0.804 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.8 | 171.7 | -65 | -175.7 | 6.9 | 0 | 0 | 113.2 | G1154 | Q1152-G1154 PolarHBondContact O-N 3Š|
| 1153 | S | 68.7 | Low | 84.6 | Confident | 37 Ų | 37 | 22.1 Ų | 22.1 | 26% | 0.259 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19.1 | 173.3 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | D1151 L1155 | D1151-S1153 VanDerWaalsContact CB-OG 3.26Å; D1151-S1153 WeakPolarHBondContact CB-OG 3.33Å; D1151-S1153 PolarHBondContact O-N 2.99Å; D1151-S1153 VanDerWaalsContact O-N 3.13Å; S1153-L1155 VanDerWaalsContact C-N 3.33Å; S1153-L1155 PolarHBondContact OG-N 3.34Å; S1153-L1155 VanDerWaalsContact OG-N 3.14Å |
| 1154 | G | 68.3 | Low | 84.8 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 81.8 | 13 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1149 D1151 Q1152 G1509 | A1149-G1154 VanDerWaalsContact CB-O 3.25Å; A1149-G1154 WeakPolarHBondContact CB-O 3.49Å; D1151-G1154 PolarHBondContact O-N 3.44Å; Q1152-G1154 PolarHBondContact O-N 3Å; G1154-G1509 WeakPolarHBondContact CA-O 3.46Å |
| 1155 | L | 80.7 | Confident | 84.6 | Confident | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | trans | -120.9 | -165.2 | 174.6 | -60.3 | 174 | 0 | 0 | 0 | 109.1 | A1150 D1151 S1153 Q1176 L1178 M1381 V1384 | A1150-L1155 PolarHBondContact N-O 3.29Å; A1150-L1155 VanDerWaalsContact N-O 3.09Å; D1151-L1155 WeakPolarHBondContact CB-O 3.42Å; D1151-L1155 PolarHBondContact N-O 3.36Å; S1153-L1155 VanDerWaalsContact C-N 3.33Å; S1153-L1155 PolarHBondContact OG-N 3.34Å; S1153-L1155 VanDerWaalsContact OG-N 3.14Å; L1155-Q1176 HydrophobicContact CD1-CB 3.93Å; L1155-Q1176 WeakPolarHBondContact CD1-O 3.22Å; L1155-L1178 HydrophobicContact CD2-CD1 4.35Å; L1155-L1178 HydrophobicContact CD2-CG 3.89Å; L1155-M1381 HydrophobicContact CD1-CE 3.3Å; L1155-M1381 HydrophobicContact CG-CE 3.86Å; L1155-V1384 HydrophobicContact CD2-CG1 4.27Å | ||
| 1156 | S | 86.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -145 | 165 | 171.5 | -60.2 | 0 | 0 | 0 | 0 | 108.7 | L1148 A1149 A1150 P1158 Q1176 T1177 D1213 | L1148-S1156 PolarHBondContact O-OG 3.15Å; A1149-S1156 WeakPolarHBondContact CA-OG 3.13Å; A1150-S1156 PolarHBondContact N-OG 3.08Å; S1156-P1158 WeakPolarHBondContact O-CD 3.37Å; S1156-Q1176 CarbonylContact O-C 3.58Å; S1156-Q1176 VanDerWaalsContact O-CA 3.29Å; S1156-Q1176 WeakPolarHBondContact O-CA 3.48Å; S1156-Q1176 PolarHBondContact O-N 3.11Å; S1156-Q1176 VanDerWaalsContact O-N 3.14Å; S1156-T1177 PolarHBondContact O-N 2.53Å; S1156-T1177 VanDerWaalsContact O-O 3.08Å; S1156-D1213 WeakPolarHBondContact CA-OD1 3.45Å; S1156-D1213 VanDerWaalsContact CB-OD1 3.28Å; S1156-D1213 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 1157 | D | 92 | Very high | 84.8 | Confident | 24 Ų | 24 | 21.8 Ų | 21.8 | 13% | 0.128 | 12% | 0.115 | C | C | . | . | trans | -103.9 | 67.7 | 168.2 | -68.2 | -21.1 | 0 | 0 | 0 | 109.3 | I1173 I1174 Q1175 Q1176 D1213 Y1214 | D1157-I1173 HydrophobicContact CB-CG2 3.97Å; D1157-I1174 CarbonylContact C-O 3.46Å; D1157-I1174 VanDerWaalsContact CA-O 3.3Å; D1157-I1174 WeakPolarHBondContact CA-O 3.35Å; D1157-Q1175 WeakPolarHBondContact OD1-CA 3.03Å; D1157-Q1176 PolarHBondContact OD1-N 2.69Å; D1157-D1213 PolarHBondContact N-OD1 2.86Å; D1157-Y1214 PolarHBondContact O-N 2.68Å | ||
| 1158 | P | 94.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 139.7 | -167.5 | 28.4 | -39.6 | 0 | 0 | 0 | 114.4 | S1156 I1174 T1177 P1180 W1182 L1211 F1212 | S1156-P1158 WeakPolarHBondContact O-CD 3.37Å; P1158-I1174 WeakPolarHBondContact CD-O 3.39Å; P1158-I1174 PolarHBondContact O-N 3.31Å; P1158-I1174 VanDerWaalsContact O-N 3.14Å; P1158-T1177 VanDerWaalsContact CD-O 3.29Å; P1158-T1177 WeakPolarHBondContact CD-O 3.45Å; P1158-T1177 HydrophobicContact CG-CG2 3.81Å; P1158-P1180 HydrophobicContact CB-CB 4.49Å; P1158-P1180 HydrophobicContact CB-CG 4.01Å; P1158-P1180 HydrophobicContact CG-CB 3.66Å; P1158-P1180 HydrophobicContact CG-CG 3.52Å; P1158-W1182 HydrophobicContact CB-CZ2 4.17Å; P1158-L1211 HydrophobicContact CB-CD1 4.28Å; P1158-F1212 CarbonylContact C-O 3.53Å; P1158-F1212 WeakPolarHBondContact CA-O 3.39Å |
| 1159 | F | 95.6 | Very high | 85 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 153.7 | 163.7 | 72.5 | -83.2 | 0 | 0 | 0 | 110.9 | E1170 I1173 L1211 F1212 D1220 | F1159-E1170 HydrophobicContact CD2-CB 4.32Å; F1159-E1170 HydrophobicContact CD2-CG 3.9Å; F1159-E1170 HydrophobicContact CE2-CG 3.87Å; F1159-I1173 HydrophobicContact CB-CG1 3.97Å; F1159-I1173 HydrophobicContact CD1-CG1 4.07Å; F1159-I1173 HydrophobicContact CG-CG1 4.18Å; F1159-L1211 WeakPolarHBondContact O-CD1 3.22Å; F1159-F1212 HydrophobicContact CD1-CB 3.99Å; F1159-F1212 HydrophobicContact CE1-CB 3.41Å; F1159-F1212 VanDerWaalsContact CE1-CB 3.41Å; F1159-F1212 HydrophobicContact CE1-CG 4.37Å; F1159-F1212 HydrophobicContact CE2-CB 4.16Å; F1159-F1212 HydrophobicContact CE2-CD2 4.15Å; F1159-F1212 HydrophobicContact CE2-CG 4.47Å; F1159-F1212 HydrophobicContact CZ-CB 3.51Å; F1159-F1212 HydrophobicContact CZ-CD2 4.12Å; F1159-F1212 AromaticContact CZ-CG 4Å; F1159-F1212 HydrophobicContact CZ-CG 4Å; F1159-F1212 PolarHBondContact N-O 2.81Å; F1159-F1212 PolarHBondContact O-N 2.89Å; F1159-D1220 HydrophobicContact CE1-CB 4.12Å; F1159-D1220 HydrophobicContact CZ-CB 4.23Å; F1159-D1220 WeakPolarHBondContact CZ-OD2 3.17Å |
| 1160 | V | 95.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.7 | 179.2 | 172.2 | 0 | 0 | 0 | 0 | 109.3 | I1141 E1170 T1171 W1182 I1209 E1210 L1211 I1259 | I1141-V1160 HydrophobicContact CG2-CB 4.47Å; I1141-V1160 HydrophobicContact CG2-CG2 4.28Å; V1160-E1170 VanDerWaalsContact O-CA 3.25Å; V1160-E1170 WeakPolarHBondContact O-CA 3.49Å; V1160-T1171 HydrophobicContact CB-CG2 3.96Å; V1160-T1171 PolarHBondContact N-OG1 3.07Å; V1160-T1171 PolarHBondContact O-N 3.34Å; V1160-W1182 HydrophobicContact CG2-CE3 4.4Å; V1160-W1182 HydrophobicContact CG2-CH2 3.46Å; V1160-W1182 VanDerWaalsContact CG2-CH2 3.46Å; V1160-W1182 HydrophobicContact CG2-CZ2 3.75Å; V1160-W1182 HydrophobicContact CG2-CZ3 3.83Å; V1160-I1209 HydrophobicContact CG1-CG2 3.7Å; V1160-E1210 WeakPolarHBondContact CA-O 3.36Å; V1160-L1211 HydrophobicContact CG2-CD1 3.57Å; V1160-I1259 HydrophobicContact CG1-CD1 4.37Å; V1160-I1259 HydrophobicContact CG2-CD1 3.75Å |
| 1161 | R | 93.2 | Very high | 86.3 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.4 | 166.3 | -176.1 | 176.7 | -66.6 | 150.1 | 1 | 109.2 | H616 E1170 E1210 F1212 | H616-R1161 PolarHBondContact CD2-NH1 3.37Å; H616-R1161 PolarHBondContact CD2-NH2 3.36Å; H616-R1161 VanDerWaalsContact CD2-NH2 3.34Å; H616-R1161 PolarHBondContact CE1-NH1 2.87Å; H616-R1161 VanDerWaalsContact CE1-NH1 3.31Å; H616-R1161 VanDerWaalsContact CG-CZ 3.45Å; H616-R1161 PolarHBondContact ND1-NH1 2.88Å; H616-R1161 PolarHBondContact NE2-NH1 2.86Å; H616-R1161 VanDerWaalsContact NE2-NH1 3.11Å; R1161-E1170 HydrophobicContact CB-CG 3.98Å; R1161-E1170 HydrophobicContact CG-CG 4.1Å; R1161-E1170 IonicContact CZ-OE1 2.82Å; R1161-E1170 IonicContact NE-OE1 3.31Å; R1161-E1170 PolarHBondContact NE-OE1 2.9Å; R1161-E1170 IonicContact NH2-OE1 3.75Å; R1161-E1170 PolarHBondContact NH2-OE1 3.43Å; R1161-E1210 HydrophobicContact CB-CB 4.41Å; R1161-E1210 PolarHBondContact N-O 3.39Å; R1161-E1210 PolarHBondContact O-N 3Å; R1161-F1212 HydrophobicContact CB-CD2 4.31Å; R1161-F1212 HydrophobicContact CB-CE2 4.1Å |
| 1162 | C | 93.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.5 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | S1168 Q1169 L1186 F1188 V1207 M1208 I1209 | C1162-S1168 CarbonylContact O-C 3.51Å; C1162-S1168 WeakPolarHBondContact O-CA 3.03Å; C1162-S1168 WeakPolarHBondContact O-CB 3.18Å; C1162-Q1169 PolarHBondContact N-O 3.28Å; C1162-Q1169 PolarHBondContact O-N 2.99Å; C1162-L1186 HydrophobicContact CB-CD1 3.72Å; C1162-F1188 HydrophobicContact CB-CE2 4.43Å; C1162-F1188 HydrophobicContact CB-CZ 4.01Å; C1162-F1188 WeakPolarHBondContact O-CZ 3.4Å; C1162-V1207 WeakPolarHBondContact SG-CG1 3.31Å; C1162-M1208 CarbonylContact C-O 3.57Å; C1162-M1208 WeakPolarHBondContact CA-O 3.43Å; C1162-I1209 HydrophobicContact CB-CD1 3.85Å; C1162-I1209 VanDerWaalsContact SG-CD1 3.53Å |
| 1163 | S | 92.4 | Very high | 88 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.1 | 179.6 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | M572 H1167 S1168 M1208 | M572-S1163 WeakPolarHBondContact SD-CB 3.25Å; M572-S1163 PolarHBondContact SD-OG 2.67Å; M572-S1163 VanDerWaalsContact SD-OG 3.37Å; S1163-H1167 CarbonylContact C-O 3.52Å; S1163-H1167 VanDerWaalsContact CA-O 3.31Å; S1163-H1167 WeakPolarHBondContact CA-O 3.19Å; S1163-S1168 WeakPolarHBondContact OG-CB 3.41Å; S1163-M1208 PolarHBondContact N-O 3.37Å; S1163-M1208 PolarHBondContact O-N 3.5Å |
| 1164 | F | 93.1 | Very high | 89 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 126 | -179.8 | -175.7 | -101.5 | 0 | 0 | 0 | 111.1 | L1137 G1166 H1167 I1191 M1193 P1205 V1207 P1230 L1265 | L1137-F1164 HydrophobicContact CB-CD1 4.39Å; L1137-F1164 HydrophobicContact CB-CE1 4.5Å; L1137-F1164 HydrophobicContact CD2-CB 3.65Å; L1137-F1164 HydrophobicContact CD2-CD1 3.74Å; L1137-F1164 HydrophobicContact CD2-CD2 3.97Å; L1137-F1164 HydrophobicContact CD2-CE1 4.34Å; L1137-F1164 HydrophobicContact CD2-CG 3.52Å; F1164-G1166 PolarHBondContact O-N 3.44Å; F1164-H1167 PolarHBondContact N-O 3.47Å; F1164-H1167 WeakPolarHBondContact O-CB 3.21Å; F1164-H1167 PolarHBondContact O-N 3.31Å; F1164-I1191 HydrophobicContact CD1-CD1 3.67Å; F1164-I1191 HydrophobicContact CD1-CG2 4.35Å; F1164-I1191 HydrophobicContact CE1-CD1 3.83Å; F1164-I1191 HydrophobicContact CE1-CG2 4.04Å; F1164-M1193 HydrophobicContact CE1-CE 4.44Å; F1164-M1193 HydrophobicContact CZ-CE 4.49Å; F1164-P1205 HydrophobicContact CE2-CB 3.76Å; F1164-P1205 HydrophobicContact CE2-CG 4.31Å; F1164-P1205 WeakPolarHBondContact CE2-O 3.17Å; F1164-P1205 HydrophobicContact CZ-CB 4.12Å; F1164-P1205 HydrophobicContact CZ-CG 4.18Å; F1164-V1207 HydrophobicContact CD2-CB 4.49Å; F1164-V1207 HydrophobicContact CD2-CG2 3.8Å; F1164-V1207 HydrophobicContact CE2-CG2 4.24Å; F1164-P1230 HydrophobicContact CE2-CG 4.48Å; F1164-L1265 HydrophobicContact CE1-CD1 3.83Å; F1164-L1265 HydrophobicContact CZ-CD1 3.88Å; F1164-L1265 HydrophobicContact CZ-CD2 4.02Å |
| 1165 | Q | 86.1 | Confident | 90 | Very high | 38 Ų | 38 | 29 Ų | 29 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 55.3 | 172.4 | -66.4 | -69 | -2 | 0 | 0 | 114.8 | S569 H1167 I1191 M1193 P1205 | S569-Q1165 PolarHBondContact OG-OE1 3.04Å; Q1165-H1167 VanDerWaalsContact C-N 3.3Å; Q1165-H1167 PolarHBondContact O-N 2.93Å; Q1165-H1167 PolarHBondContact O-ND1 3.42Å; Q1165-I1191 HydrophobicContact CB-CG2 3.94Å; Q1165-M1193 HydrophobicContact CG-SD 3.81Å; Q1165-P1205 HydrophobicContact CG-CB 4.36Å; Q1165-P1205 HydrophobicContact CG-CG 4.44Å |
| 1166 | G | 81.3 | Confident | 90 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 10.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | D613 F1164 | D613-G1166 WeakPolarHBondContact CB-O 3.01Å; F1164-G1166 PolarHBondContact O-N 3.44Å |
| 1167 | H | 84.4 | Confident | 89.8 | Confident | 57 Ų | 57 | 35.2 Ų | 35.2 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.2 | 174.4 | -57 | 79.4 | 0 | 0 | 0 | 109.5 | S1163 F1164 Q1165 F1188 | S1163-H1167 CarbonylContact C-O 3.52Å; S1163-H1167 VanDerWaalsContact CA-O 3.31Å; S1163-H1167 WeakPolarHBondContact CA-O 3.19Å; F1164-H1167 PolarHBondContact N-O 3.47Å; F1164-H1167 WeakPolarHBondContact O-CB 3.21Å; F1164-H1167 PolarHBondContact O-N 3.31Å; Q1165-H1167 VanDerWaalsContact C-N 3.3Å; Q1165-H1167 PolarHBondContact O-N 2.93Å; Q1165-H1167 PolarHBondContact O-ND1 3.42Å; H1167-F1188 HydrophobicContact CB-CD1 3.68Å; H1167-F1188 HydrophobicContact CB-CE1 4.08Å |
| 1168 | S | 87.6 | Confident | 89.2 | Confident | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151.8 | 167.7 | 61.2 | 0 | 0 | 0 | 0 | 112 | D613 L615 C1162 S1163 | D613-S1168 VanDerWaalsContact CG-OG 3.26Å; D613-S1168 VanDerWaalsContact OD2-CB 3.28Å; D613-S1168 WeakPolarHBondContact OD2-CB 3.41Å; D613-S1168 PolarHBondContact OD2-OG 2.81Å; L615-S1168 WeakPolarHBondContact CB-OG 3.46Å; L615-S1168 WeakPolarHBondContact CD2-OG 3.14Å; C1162-S1168 CarbonylContact O-C 3.51Å; C1162-S1168 WeakPolarHBondContact O-CA 3.03Å; C1162-S1168 WeakPolarHBondContact O-CB 3.18Å; S1163-S1168 WeakPolarHBondContact OG-CB 3.41Å |
| 1169 | Q | 87.6 | Confident | 88.6 | Confident | 34 Ų | 34 | 35.5 Ų | 35.5 | 16% | 0.159 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.2 | 176.2 | -74.5 | -176.5 | 59.1 | 0 | 0 | 109.8 | C1162 L1186 I1187 F1188 | C1162-Q1169 PolarHBondContact N-O 3.28Å; C1162-Q1169 PolarHBondContact O-N 2.99Å; Q1169-L1186 HydrophobicContact CB-CB 4.31Å; Q1169-L1186 HydrophobicContact CB-CD1 4.12Å; Q1169-L1186 HydrophobicContact CB-CD2 4.4Å; Q1169-I1187 PolarHBondContact NE2-O 3.33Å; Q1169-F1188 HydrophobicContact CB-CE1 4.19Å; Q1169-F1188 HydrophobicContact CB-CE2 4.48Å; Q1169-F1188 HydrophobicContact CB-CZ 3.86Å; Q1169-F1188 HydrophobicContact CG-CD1 4.5Å; Q1169-F1188 HydrophobicContact CG-CE1 4.03Å; Q1169-F1188 HydrophobicContact CG-CZ 4.13Å |
| 1170 | E | 91.2 | Very high | 88.3 | Confident | 65 Ų | 65 | 35.3 Ų | 35.3 | 30% | 0.304 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147 | 177.4 | -80.3 | 162.2 | -173.5 | 0 | 0 | 110.7 | L615 F1159 V1160 R1161 | L615-E1170 HydrophobicContact CD2-CB 4.44Å; L615-E1170 HydrophobicContact CD2-CG 3.8Å; F1159-E1170 HydrophobicContact CD2-CB 4.32Å; F1159-E1170 HydrophobicContact CD2-CG 3.9Å; F1159-E1170 HydrophobicContact CE2-CG 3.87Å; V1160-E1170 VanDerWaalsContact O-CA 3.25Å; V1160-E1170 WeakPolarHBondContact O-CA 3.49Å; R1161-E1170 HydrophobicContact CB-CG 3.98Å; R1161-E1170 HydrophobicContact CG-CG 4.1Å; R1161-E1170 IonicContact CZ-OE1 2.82Å; R1161-E1170 IonicContact NE-OE1 3.31Å; R1161-E1170 PolarHBondContact NE-OE1 2.9Å; R1161-E1170 IonicContact NH2-OE1 3.75Å; R1161-E1170 PolarHBondContact NH2-OE1 3.43Å |
| 1171 | T | 93.6 | Very high | 87.9 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -75 | 171.5 | 165.8 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | I1141 V1160 W1182 E1184 L1186 | I1141-T1171 HydrophobicContact CB-CG2 4.06Å; I1141-T1171 HydrophobicContact CG1-CG2 4.24Å; I1141-T1171 HydrophobicContact CG2-CG2 3.89Å; V1160-T1171 HydrophobicContact CB-CG2 3.96Å; V1160-T1171 PolarHBondContact N-OG1 3.07Å; V1160-T1171 PolarHBondContact O-N 3.34Å; T1171-W1182 VanDerWaalsContact CB-CD1 3.45Å; T1171-W1182 HydrophobicContact CG2-CB 4.47Å; T1171-W1182 HydrophobicContact CG2-CG 4.16Å; T1171-W1182 VanDerWaalsContact OG1-CD1 3.31Å; T1171-W1182 PolarHBondContact OG1-NE1 3.08Å; T1171-W1182 VanDerWaalsContact OG1-NE1 3.11Å; T1171-E1184 WeakPolarHBondContact CA-OE2 3.44Å; T1171-L1186 HydrophobicContact CG2-CD1 4.1Å; T1171-L1186 HydrophobicContact CG2-CD2 4.35Å; T1171-L1186 HydrophobicContact CG2-CG 4.41Å |
| 1172 | Q | 91 | Very high | 87.8 | Confident | 78 Ų | 78 | 38.5 Ų | 38.5 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -63.5 | 155.1 | 167.8 | 84.5 | -160.6 | -55.9 | 0 | 0 | 111.7 | I1174 W1182 E1184 L1283 | Q1172-I1174 HydrophobicContact CG-CD1 3.58Å; Q1172-I1174 HydrophobicContact CG-CG1 4.38Å; Q1172-W1182 PolarHBondContact O-NE1 3.48Å; Q1172-E1184 VanDerWaalsContact CB-OE1 3.3Å; Q1172-E1184 WeakPolarHBondContact CB-OE1 3.46Å; Q1172-E1184 WeakPolarHBondContact CG-OE1 3.39Å; Q1172-E1184 PolarHBondContact N-OE1 3.46Å; Q1172-E1184 VanDerWaalsContact N-OE1 3.09Å; Q1172-E1184 PolarHBondContact N-OE2 2.85Å; Q1172-E1184 PolarHBondContact NE2-OE1 3.37Å; Q1172-L1283 HydrophobicContact CB-CD1 4.36Å |
| 1173 | I | 92.3 | Very high | 87.7 | Confident | 67 Ų | 67 | 39.5 Ų | 39.5 | 34% | 0.344 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -79.7 | 122.8 | 171.6 | -62 | 156.7 | 0 | 0 | 0 | 108.1 | D1157 F1159 Q1175 Y1214 | D1157-I1173 HydrophobicContact CB-CG2 3.97Å; F1159-I1173 HydrophobicContact CB-CG1 3.97Å; F1159-I1173 HydrophobicContact CD1-CG1 4.07Å; F1159-I1173 HydrophobicContact CG-CG1 4.18Å; I1173-Q1175 HydrophobicContact CG2-CG 4.47Å; I1173-Y1214 HydrophobicContact CD1-CD1 4.01Å; I1173-Y1214 HydrophobicContact CD1-CD2 3.56Å; I1173-Y1214 HydrophobicContact CD1-CE1 4.42Å; I1173-Y1214 HydrophobicContact CD1-CE2 4.02Å; I1173-Y1214 HydrophobicContact CD1-CG 3.55Å; I1173-Y1214 HydrophobicContact CG1-CG 4.25Å; I1173-Y1214 HydrophobicContact CG2-CD1 4.33Å; I1173-Y1214 HydrophobicContact CG2-CG 4.24Å |
| 1174 | I | 89.6 | Confident | 87.7 | Confident | 40 Ų | 40 | 39.6 Ų | 39.6 | 21% | 0.205 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -99.5 | 116.1 | 172 | -53.4 | -63.6 | 0 | 0 | 0 | 107.5 | D1157 P1158 Q1172 T1177 P1180 W1182 | D1157-I1174 CarbonylContact C-O 3.46Å; D1157-I1174 VanDerWaalsContact CA-O 3.3Å; D1157-I1174 WeakPolarHBondContact CA-O 3.35Å; P1158-I1174 WeakPolarHBondContact CD-O 3.39Å; P1158-I1174 PolarHBondContact O-N 3.31Å; P1158-I1174 VanDerWaalsContact O-N 3.14Å; Q1172-I1174 HydrophobicContact CG-CD1 3.58Å; Q1172-I1174 HydrophobicContact CG-CG1 4.38Å; I1174-T1177 HydrophobicContact CB-CG2 4.08Å; I1174-T1177 HydrophobicContact CG2-CG2 3.53Å; I1174-P1180 HydrophobicContact CB-CB 3.98Å; I1174-P1180 HydrophobicContact CG1-CB 4.04Å; I1174-P1180 HydrophobicContact CG2-CB 4.32Å; I1174-W1182 HydrophobicContact CG1-CG 4.43Å |
| 1175 | Q | 87.6 | Confident | 87.6 | Confident | 142 Ų | 142 | 39.6 Ų | 39.6 | 66% | 0.664 | 20% | 0.196 | S | C | * | . | P | Polyproline II helix | trans | -78.2 | 142.9 | -174.3 | -65.9 | 179.3 | -20.8 | 0 | 0 | 112.2 | D1157 I1173 | D1157-Q1175 WeakPolarHBondContact OD1-CA 3.03Å; I1173-Q1175 HydrophobicContact CG2-CG 4.47Å |
| 1176 | Q | 81.1 | Confident | 87.9 | Confident | 131 Ų | 131 | 38.1 Ų | 38.1 | 61% | 0.612 | 19% | 0.19 | S | C | * | . | S | Bend | trans | 52.3 | 60.6 | 168.8 | -59.5 | -173 | -17.1 | 0 | 0 | 113.2 | L1155 S1156 D1157 | L1155-Q1176 HydrophobicContact CD1-CB 3.93Å; L1155-Q1176 WeakPolarHBondContact CD1-O 3.22Å; S1156-Q1176 CarbonylContact O-C 3.58Å; S1156-Q1176 VanDerWaalsContact O-CA 3.29Å; S1156-Q1176 WeakPolarHBondContact O-CA 3.48Å; S1156-Q1176 PolarHBondContact O-N 3.11Å; S1156-Q1176 VanDerWaalsContact O-N 3.14Å; D1157-Q1176 PolarHBondContact OD1-N 2.69Å |
| 1177 | T | 83.2 | Confident | 88.2 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | trans | -152 | 149 | 175.4 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | S1156 P1158 I1174 C1179 P1180 | S1156-T1177 PolarHBondContact O-N 2.53Å; S1156-T1177 VanDerWaalsContact O-O 3.08Å; P1158-T1177 VanDerWaalsContact CD-O 3.29Å; P1158-T1177 WeakPolarHBondContact CD-O 3.45Å; P1158-T1177 HydrophobicContact CG-CG2 3.81Å; I1174-T1177 HydrophobicContact CB-CG2 4.08Å; I1174-T1177 HydrophobicContact CG2-CG2 3.53Å; T1177-C1179 PolarHBondContact OG1-N 2.93Å; T1177-C1179 PolarHBondContact OG1-O 2.92Å; T1177-P1180 HydrophobicContact CG2-CB 3.79Å | ||
| 1178 | L | 80 | Confident | 88.3 | Confident | 19 Ų | 19 | 35.3 Ų | 35.3 | 10% | 0.099 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -102.2 | 0.6 | 166.9 | -56.7 | -176.9 | 0 | 0 | 0 | 112.4 | S1146 V1147 A1149 L1155 P1180 | S1146-L1178 PolarHBondContact N-O 2.79Å; V1147-L1178 HydrophobicContact CB-CB 4.43Å; V1147-L1178 VanDerWaalsContact CB-O 3.28Å; V1147-L1178 WeakPolarHBondContact CB-O 3.13Å; V1147-L1178 WeakPolarHBondContact CG2-O 2.91Å; V1147-L1178 PolarHBondContact N-O 2.67Å; V1147-L1178 WeakPolarHBondContact O-CD2 3.24Å; A1149-L1178 HydrophobicContact CB-CD1 4.25Å; A1149-L1178 HydrophobicContact CB-CD2 4.01Å; L1155-L1178 HydrophobicContact CD2-CD1 4.35Å; L1155-L1178 HydrophobicContact CD2-CG 3.89Å; L1178-P1180 VanDerWaalsContact C-CD 3.5Å |
| 1179 | C | 81.2 | Confident | 87.7 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -136.5 | 60.5 | -176.2 | -61.5 | 0 | 0 | 0 | 0 | 111 | A1144 T1177 P1365 V1386 | A1144-C1179 CarbonylContact O-C 3.51Å; A1144-C1179 VanDerWaalsContact O-CA 3.23Å; A1144-C1179 WeakPolarHBondContact O-CA 3.31Å; T1177-C1179 PolarHBondContact OG1-N 2.93Å; T1177-C1179 PolarHBondContact OG1-O 2.92Å; C1179-P1365 HydrophobicContact CB-CB 4.43Å; C1179-P1365 HydrophobicContact CB-CG 3.28Å; C1179-P1365 WeakPolarHBondContact SG-CG 3.43Å; C1179-V1386 WeakPolarHBondContact SG-CG1 3.02Å |
| 1180 | P | 88.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | trans | -66.9 | 142.4 | -176.1 | 29.5 | -37.1 | 0 | 0 | 0 | 112 | Q1143 A1144 P1158 I1174 T1177 L1178 W1182 | Q1143-P1180 CarbonylContact C-O 3.48Å; Q1143-P1180 WeakPolarHBondContact CA-O 3.32Å; Q1143-P1180 VanDerWaalsContact CB-O 3.27Å; Q1143-P1180 WeakPolarHBondContact CB-O 3.45Å; A1144-P1180 HydrophobicContact CB-CG 3.92Å; A1144-P1180 PolarHBondContact N-O 2.62Å; P1158-P1180 HydrophobicContact CB-CB 4.49Å; P1158-P1180 HydrophobicContact CB-CG 4.01Å; P1158-P1180 HydrophobicContact CG-CB 3.66Å; P1158-P1180 HydrophobicContact CG-CG 3.52Å; I1174-P1180 HydrophobicContact CB-CB 3.98Å; I1174-P1180 HydrophobicContact CG1-CB 4.04Å; I1174-P1180 HydrophobicContact CG2-CB 4.32Å; T1177-P1180 HydrophobicContact CG2-CB 3.79Å; L1178-P1180 VanDerWaalsContact C-CD 3.5Å; P1180-W1182 HydrophobicContact CB-CD2 4.31Å; P1180-W1182 HydrophobicContact CB-CE3 4.42Å; P1180-W1182 HydrophobicContact CB-CH2 3.85Å; P1180-W1182 HydrophobicContact CB-CZ2 3.67Å; P1180-W1182 HydrophobicContact CB-CZ3 4.22Å; P1180-W1182 HydrophobicContact CG-CE3 4.35Å; P1180-W1182 HydrophobicContact CG-CH2 3.17Å; P1180-W1182 HydrophobicContact CG-CZ2 3.45Å; P1180-W1182 VanDerWaalsContact CG-CZ2 3.45Å; P1180-W1182 HydrophobicContact CG-CZ3 3.68Å | ||
| 1181 | I | 88.4 | Confident | 86.8 | Confident | 71 Ų | 71 | 36.9 Ų | 36.9 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 107.8 | 168.9 | -55.8 | 175.7 | 0 | 0 | 0 | 106.9 | Q1143 D1183 P1364 | Q1143-I1181 HydrophobicContact CB-CB 4.33Å; Q1143-I1181 HydrophobicContact CB-CG1 3.93Å; Q1143-I1181 HydrophobicContact CB-CG2 4.44Å; I1181-D1183 HydrophobicContact CG2-CB 4.37Å; I1181-P1364 HydrophobicContact CD1-CB 4.16Å |
| 1182 | W | 90.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -45.5 | 176.2 | -63.3 | -80.9 | 0 | 0 | 0 | 110.8 | I1141 F1142 A1144 P1158 V1160 T1171 Q1172 I1174 P1180 E1184 L1211 | I1141-W1182 HydrophobicContact CG2-CD2 4.27Å; I1141-W1182 HydrophobicContact CG2-CE3 3.77Å; I1141-W1182 HydrophobicContact CG2-CZ3 4.31Å; F1142-W1182 PolarHBondContact O-N 3.46Å; A1144-W1182 HydrophobicContact CB-CH2 3.85Å; A1144-W1182 HydrophobicContact CB-CZ3 3.68Å; P1158-W1182 HydrophobicContact CB-CZ2 4.17Å; V1160-W1182 HydrophobicContact CG2-CE3 4.4Å; V1160-W1182 HydrophobicContact CG2-CH2 3.46Å; V1160-W1182 VanDerWaalsContact CG2-CH2 3.46Å; V1160-W1182 HydrophobicContact CG2-CZ2 3.75Å; V1160-W1182 HydrophobicContact CG2-CZ3 3.83Å; T1171-W1182 VanDerWaalsContact CB-CD1 3.45Å; T1171-W1182 HydrophobicContact CG2-CB 4.47Å; T1171-W1182 HydrophobicContact CG2-CG 4.16Å; T1171-W1182 VanDerWaalsContact OG1-CD1 3.31Å; T1171-W1182 PolarHBondContact OG1-NE1 3.08Å; T1171-W1182 VanDerWaalsContact OG1-NE1 3.11Å; Q1172-W1182 PolarHBondContact O-NE1 3.48Å; I1174-W1182 HydrophobicContact CG1-CG 4.43Å; P1180-W1182 HydrophobicContact CB-CD2 4.31Å; P1180-W1182 HydrophobicContact CB-CE3 4.42Å; P1180-W1182 HydrophobicContact CB-CH2 3.85Å; P1180-W1182 HydrophobicContact CB-CZ2 3.67Å; P1180-W1182 HydrophobicContact CB-CZ3 4.22Å; P1180-W1182 HydrophobicContact CG-CE3 4.35Å; P1180-W1182 HydrophobicContact CG-CH2 3.17Å; P1180-W1182 HydrophobicContact CG-CZ2 3.45Å; P1180-W1182 VanDerWaalsContact CG-CZ2 3.45Å; P1180-W1182 HydrophobicContact CG-CZ3 3.68Å; W1182-E1184 HydrophobicContact CB-CB 4.17Å; W1182-E1184 HydrophobicContact CB-CG 4.22Å; W1182-E1184 PolarHBondContact O-N 3.14Å; W1182-L1211 HydrophobicContact CH2-CD1 3.73Å; W1182-L1211 HydrophobicContact CZ2-CD1 4.09Å |
| 1183 | D | 89.9 | Confident | 86 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 43.2 | -172.6 | 177.2 | 34.3 | 0 | 0 | 0 | 111.2 | I1141 F1142 I1181 R1280 N1285 V1286 R1291 | I1141-D1183 PolarHBondContact O-N 3.35Å; F1142-D1183 HydrophobicContact CD2-CB 4.16Å; F1142-D1183 HydrophobicContact CE2-CB 4.12Å; F1142-D1183 PolarHBondContact O-N 2.9Å; I1181-D1183 HydrophobicContact CG2-CB 4.37Å; D1183-R1280 IonicContact OD2-NH2 2.82Å; D1183-R1280 PolarHBondContact OD2-NH2 2.89Å; D1183-N1285 WeakPolarHBondContact O-CA 3.29Å; D1183-V1286 PolarHBondContact O-N 3.38Å; D1183-V1286 WeakPolarHBondContact OD1-CB 3.18Å; D1183-V1286 PolarHBondContact OD1-N 3.02Å; D1183-R1291 IonicContact OD1-CZ 3.84Å; D1183-R1291 VanDerWaalsContact OD1-CZ 3.31Å; D1183-R1291 IonicContact OD1-NE 2.9Å; D1183-R1291 PolarHBondContact OD1-NE 2.86Å; D1183-R1291 IonicContact OD1-NH2 2.74Å; D1183-R1291 PolarHBondContact OD1-NH2 2.87Å; D1183-R1291 IonicContact OD2-CZ 3.26Å; D1183-R1291 IonicContact OD2-NE 2.93Å; D1183-R1291 IonicContact OD2-NH2 3.14Å; D1183-R1291 PolarHBondContact OD2-NH2 3.44Å |
| 1184 | E | 92.8 | Very high | 85.6 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 140.8 | -173.7 | -78.7 | 178.1 | -127.1 | 0 | 0 | 112.2 | I1141 T1171 Q1172 W1182 L1283 F1284 | I1141-E1184 PolarHBondContact N-O 3.34Å; I1141-E1184 PolarHBondContact O-N 3.03Å; T1171-E1184 WeakPolarHBondContact CA-OE2 3.44Å; Q1172-E1184 VanDerWaalsContact CB-OE1 3.3Å; Q1172-E1184 WeakPolarHBondContact CB-OE1 3.46Å; Q1172-E1184 WeakPolarHBondContact CG-OE1 3.39Å; Q1172-E1184 PolarHBondContact N-OE1 3.46Å; Q1172-E1184 VanDerWaalsContact N-OE1 3.09Å; Q1172-E1184 PolarHBondContact N-OE2 2.85Å; Q1172-E1184 PolarHBondContact NE2-OE1 3.37Å; W1182-E1184 HydrophobicContact CB-CB 4.17Å; W1182-E1184 HydrophobicContact CB-CG 4.22Å; W1182-E1184 PolarHBondContact O-N 3.14Å; E1184-L1283 HydrophobicContact CG-CD1 4.36Å; E1184-F1284 CarbonylContact C-O 3.58Å; E1184-F1284 WeakPolarHBondContact CA-O 3.4Å |
| 1185 | T | 92.2 | Very high | 85.1 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.8 | 167.9 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | R1138 A1139 Y1140 I1187 P1277 F1284 N1285 V1286 | R1138-T1185 HydrophobicContact CB-CG2 4.27Å; A1139-T1185 CarbonylContact O-C 3.57Å; A1139-T1185 WeakPolarHBondContact O-CA 3.25Å; Y1140-T1185 HydrophobicContact CD1-CG2 3.63Å; Y1140-T1185 WeakPolarHBondContact CD1-OG1 3.45Å; Y1140-T1185 HydrophobicContact CE1-CG2 3.7Å; T1185-I1187 HydrophobicContact CG2-CG1 3.95Å; T1185-P1277 HydrophobicContact CG2-CG 4.17Å; T1185-F1284 PolarHBondContact N-O 2.77Å; T1185-N1285 PolarHBondContact OG1-O 3.23Å; T1185-V1286 WeakPolarHBondContact OG1-CA 3.39Å |
| 1186 | L | 91.6 | Very high | 84.9 | Confident | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 125.3 | 169.7 | -52.3 | 178.5 | 0 | 0 | 0 | 108.5 | A1139 I1141 C1162 Q1169 T1171 F1188 | A1139-L1186 HydrophobicContact CB-CB 4.23Å; A1139-L1186 PolarHBondContact N-O 3.41Å; A1139-L1186 PolarHBondContact O-N 2.76Å; I1141-L1186 HydrophobicContact CG1-CD1 4.25Å; I1141-L1186 HydrophobicContact CG1-CG 4.42Å; C1162-L1186 HydrophobicContact CB-CD1 3.72Å; Q1169-L1186 HydrophobicContact CB-CB 4.31Å; Q1169-L1186 HydrophobicContact CB-CD1 4.12Å; Q1169-L1186 HydrophobicContact CB-CD2 4.4Å; T1171-L1186 HydrophobicContact CG2-CD1 4.1Å; T1171-L1186 HydrophobicContact CG2-CD2 4.35Å; T1171-L1186 HydrophobicContact CG2-CG 4.41Å; L1186-F1188 HydrophobicContact CB-CE2 4.05Å |
| 1187 | I | 86.7 | Confident | 85.2 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 109.2 | -173.1 | -58.2 | -177.8 | 0 | 0 | 0 | 108.9 | H1136 Q1169 T1185 E1189 F1284 | H1136-I1187 WeakPolarHBondContact CE1-CG2 3.17Å; H1136-I1187 WeakPolarHBondContact NE2-CG2 3.46Å; Q1169-I1187 PolarHBondContact NE2-O 3.33Å; T1185-I1187 HydrophobicContact CG2-CG1 3.95Å; I1187-E1189 HydrophobicContact CG2-CG 3.67Å; I1187-F1284 HydrophobicContact CD1-CB 4.39Å; I1187-F1284 HydrophobicContact CD1-CD1 3.88Å; I1187-F1284 HydrophobicContact CD1-CD2 3.7Å; I1187-F1284 HydrophobicContact CD1-CE1 3.94Å; I1187-F1284 HydrophobicContact CD1-CE2 3.79Å; I1187-F1284 HydrophobicContact CD1-CG 3.72Å; I1187-F1284 HydrophobicContact CD1-CZ 3.87Å; I1187-F1284 HydrophobicContact CG1-CD2 4.22Å; I1187-F1284 HydrophobicContact CG1-CE2 4.49Å; I1187-F1284 HydrophobicContact CG1-CG 4.49Å |
| 1188 | F | 87 | Confident | 85.3 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.2 | 173.8 | -58 | -105.4 | 0 | 0 | 0 | 108.7 | H1136 L1137 A1139 C1162 H1167 Q1169 L1186 I1191 | H1136-F1188 WeakPolarHBondContact CA-O 3.35Å; L1137-F1188 HydrophobicContact CB-CB 4.09Å; L1137-F1188 HydrophobicContact CB-CD2 4.35Å; L1137-F1188 HydrophobicContact CD2-CD2 3.87Å; L1137-F1188 HydrophobicContact CD2-CE2 4.23Å; L1137-F1188 HydrophobicContact CD2-CG 4.33Å; L1137-F1188 HydrophobicContact CG-CD2 4.2Å; L1137-F1188 PolarHBondContact N-O 2.91Å; L1137-F1188 PolarHBondContact O-N 3.04Å; A1139-F1188 HydrophobicContact CB-CE2 4.4Å; C1162-F1188 HydrophobicContact CB-CE2 4.43Å; C1162-F1188 HydrophobicContact CB-CZ 4.01Å; C1162-F1188 WeakPolarHBondContact O-CZ 3.4Å; H1167-F1188 HydrophobicContact CB-CD1 3.68Å; H1167-F1188 HydrophobicContact CB-CE1 4.08Å; Q1169-F1188 HydrophobicContact CB-CE1 4.19Å; Q1169-F1188 HydrophobicContact CB-CE2 4.48Å; Q1169-F1188 HydrophobicContact CB-CZ 3.86Å; Q1169-F1188 HydrophobicContact CG-CD1 4.5Å; Q1169-F1188 HydrophobicContact CG-CE1 4.03Å; Q1169-F1188 HydrophobicContact CG-CZ 4.13Å; L1186-F1188 HydrophobicContact CB-CE2 4.05Å; F1188-I1191 HydrophobicContact CB-CD1 3.52Å; F1188-I1191 HydrophobicContact CB-CG1 4.16Å |
| 1189 | E | 76.3 | Confident | 85.4 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 157 | -175 | -55.3 | -164 | 157.1 | 0 | 0 | 111.8 | R1031 H1136 I1187 I1191 | R1031-E1189 WeakPolarHBondContact CD-OE2 3.17Å; R1031-E1189 IonicContact CZ-OE1 2.78Å; R1031-E1189 IonicContact CZ-OE2 2.66Å; R1031-E1189 IonicContact NE-OE1 3.48Å; R1031-E1189 IonicContact NE-OE2 3.04Å; R1031-E1189 PolarHBondContact NE-OE2 3.08Å; R1031-E1189 IonicContact NH1-OE1 2.99Å; R1031-E1189 PolarHBondContact NH1-OE1 3.02Å; R1031-E1189 IonicContact NH1-OE2 2.69Å; R1031-E1189 PolarHBondContact NH1-OE2 2.95Å; R1031-E1189 IonicContact NH2-OE1 3.24Å; R1031-E1189 PolarHBondContact NH2-OE1 3.43Å; R1031-E1189 IonicContact NH2-OE2 3.73Å; R1031-E1189 PolarHBondContact NH2-OE2 3.48Å; H1136-E1189 IonicContact CE1-OE1 2.78Å; I1187-E1189 HydrophobicContact CG2-CG 3.67Å; E1189-I1191 PolarHBondContact O-N 3.39Å |
| 1190 | H | 74.2 | Confident | 85.8 | Confident | 104 Ų | 104 | 34 Ų | 34 | 48% | 0.481 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 40.3 | 175.3 | -66.5 | -82.5 | 0 | 0 | 0 | 113.4 | W1135 E1192 | W1135-H1190 PolarHBondContact O-N 3.42Å; H1190-E1192 PolarHBondContact O-N 3.03Å; H1190-E1192 VanDerWaalsContact O-N 3.15Å |
| 1191 | I | 85.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 103.9 | 175.8 | -59.8 | 157.6 | 0 | 0 | 0 | 108.1 | W1135 L1137 F1164 Q1165 F1188 E1189 M1193 | W1135-I1191 HydrophobicContact CB-CB 4.18Å; W1135-I1191 WeakPolarHBondContact CB-O 3.12Å; W1135-I1191 PolarHBondContact N-O 2.79Å; W1135-I1191 PolarHBondContact O-N 3.19Å; L1137-I1191 HydrophobicContact CB-CD1 3.72Å; F1164-I1191 HydrophobicContact CD1-CD1 3.67Å; F1164-I1191 HydrophobicContact CD1-CG2 4.35Å; F1164-I1191 HydrophobicContact CE1-CD1 3.83Å; F1164-I1191 HydrophobicContact CE1-CG2 4.04Å; Q1165-I1191 HydrophobicContact CB-CG2 3.94Å; F1188-I1191 HydrophobicContact CB-CD1 3.52Å; F1188-I1191 HydrophobicContact CB-CG1 4.16Å; E1189-I1191 PolarHBondContact O-N 3.39Å; I1191-M1193 HydrophobicContact CG2-CE 4.25Å; I1191-M1193 HydrophobicContact CG2-CG 4.14Å; I1191-M1193 HydrophobicContact CG2-SD 4.41Å |
| 1192 | E | 81.5 | Confident | 85.6 | Confident | 113 Ų | 113 | 38.9 Ų | 38.9 | 53% | 0.528 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.7 | 179.4 | -171.6 | 172.1 | -167.2 | 0 | 0 | 110.9 | S1132 H1190 | S1132-E1192 WeakPolarHBondContact CB-OE1 3.48Å; S1132-E1192 VanDerWaalsContact OG-CD 3.27Å; S1132-E1192 WeakPolarHBondContact OG-CG 3.41Å; S1132-E1192 PolarHBondContact OG-OE1 3.47Å; H1190-E1192 PolarHBondContact O-N 3.03Å; H1190-E1192 VanDerWaalsContact O-N 3.15Å |
| 1193 | M | 86.4 | Confident | 85.4 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.5 | 176.3 | -68.2 | -175.3 | -72 | 0 | 0 | 110.5 | H1133 W1135 F1164 Q1165 I1191 I1200 P1205 L1265 | H1133-M1193 PolarHBondContact N-O 3.06Å; H1133-M1193 PolarHBondContact O-N 2.84Å; W1135-M1193 HydrophobicContact CB-CE 3.75Å; W1135-M1193 HydrophobicContact CD2-CE 3.75Å; W1135-M1193 HydrophobicContact CG-CE 3.3Å; F1164-M1193 HydrophobicContact CE1-CE 4.44Å; F1164-M1193 HydrophobicContact CZ-CE 4.49Å; Q1165-M1193 HydrophobicContact CG-SD 3.81Å; I1191-M1193 HydrophobicContact CG2-CE 4.25Å; I1191-M1193 HydrophobicContact CG2-CG 4.14Å; I1191-M1193 HydrophobicContact CG2-SD 4.41Å; M1193-I1200 HydrophobicContact CB-CD1 3.93Å; M1193-I1200 HydrophobicContact CE-CD1 3.98Å; M1193-I1200 HydrophobicContact SD-CD1 4.11Å; M1193-P1205 HydrophobicContact SD-CG 4.04Å; M1193-L1265 HydrophobicContact CE-CD1 4.28Å; M1193-L1265 HydrophobicContact CE-CD2 4.12Å |
| 1194 | C | 83.2 | Confident | 85.5 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 152.4 | 177.1 | -42.9 | 0 | 0 | 0 | 0 | 111.3 | F1129 | F1129-C1194 HydrophobicContact CB-CB 3.6Å; F1129-C1194 HydrophobicContact CD1-CB 3.83Å; F1129-C1194 HydrophobicContact CD2-CB 3.84Å; F1129-C1194 HydrophobicContact CE1-CB 4.47Å; F1129-C1194 HydrophobicContact CG-CB 3.46Å; F1129-C1194 VanDerWaalsContact CG-CB 3.46Å |
| 1195 | G | 78.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 104.1 | 170.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E847 H1133 P1197 | E847-G1195 WeakPolarHBondContact OE1-CA 3.26Å; H1133-G1195 PolarHBondContact CD2-O 3.26Å; G1195-P1197 WeakPolarHBondContact O-CD 3.49Å |
| 1196 | D | 83.8 | Confident | 85.6 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | trans | -65 | 124.6 | -178 | -177.6 | -8.5 | 0 | 0 | 0 | 109.2 | E847 K1198 T1199 I1200 | E847-D1196 WeakPolarHBondContact OE2-CA 3.28Å; E847-D1196 WeakPolarHBondContact OE2-CB 3.1Å; E847-D1196 PolarHBondContact OE2-N 2.95Å; D1196-K1198 PolarHBondContact O-N 2.76Å; D1196-K1198 WeakPolarHBondContact OD1-CB 3.25Å; D1196-K1198 PolarHBondContact OD1-N 3.08Å; D1196-T1199 WeakPolarHBondContact O-CB 3.3Å; D1196-T1199 PolarHBondContact O-N 3.04Å; D1196-I1200 PolarHBondContact O-N 3.1Å | ||
| 1197 | P | 87.4 | Confident | 85.7 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.6 | -26.6 | 174.1 | -28.6 | 35.9 | 0 | 0 | 0 | 114.7 | H1133 W1135 G1195 T1199 I1200 L1201 L1234 L1267 | H1133-P1197 HydrophobicContact CB-CG 4.48Å; W1135-P1197 HydrophobicContact CH2-CB 3.98Å; W1135-P1197 HydrophobicContact CZ2-CB 3.75Å; W1135-P1197 HydrophobicContact CZ2-CG 4.29Å; G1195-P1197 WeakPolarHBondContact O-CD 3.49Å; P1197-T1199 VanDerWaalsContact C-N 3.34Å; P1197-I1200 PolarHBondContact O-N 2.65Å; P1197-L1201 PolarHBondContact O-N 2.8Å; P1197-L1234 HydrophobicContact CB-CD2 3.57Å; P1197-L1267 HydrophobicContact CB-CD2 3.88Å; P1197-L1267 HydrophobicContact CG-CD1 4.19Å; P1197-L1267 HydrophobicContact CG-CD2 3.83Å |
| 1198 | K | 86.1 | Confident | 86.1 | Confident | 144 Ų | 144 | 41.2 Ų | 41.2 | 63% | 0.626 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.7 | -34.4 | 173.8 | -66.7 | 179 | -179 | 175.5 | 0 | 113 | D1196 I1200 L1201 S1202 L1234 | D1196-K1198 PolarHBondContact O-N 2.76Å; D1196-K1198 WeakPolarHBondContact OD1-CB 3.25Å; D1196-K1198 PolarHBondContact OD1-N 3.08Å; K1198-I1200 VanDerWaalsContact C-N 3.34Å; K1198-L1201 WeakPolarHBondContact O-CB 3.48Å; K1198-L1201 PolarHBondContact O-N 2.78Å; K1198-S1202 PolarHBondContact O-N 2.97Å; K1198-S1202 PolarHBondContact O-OG 3.22Å; K1198-L1234 HydrophobicContact CG-CD1 4.24Å |
| 1199 | T | 82.8 | Confident | 86.5 | Confident | 64 Ų | 64 | 41.1 Ų | 41.1 | 39% | 0.393 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 176.1 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | D1196 P1197 L1201 S1202 D1203 | D1196-T1199 WeakPolarHBondContact O-CB 3.3Å; D1196-T1199 PolarHBondContact O-N 3.04Å; P1197-T1199 VanDerWaalsContact C-N 3.34Å; T1199-L1201 VanDerWaalsContact C-N 3.35Å; T1199-S1202 WeakPolarHBondContact CA-OG 3.45Å; T1199-S1202 PolarHBondContact O-N 3.03Å; T1199-S1202 PolarHBondContact O-OG 2.92Å; T1199-D1203 PolarHBondContact O-N 2.84Å |
| 1200 | I | 87.8 | Confident | 87.4 | Confident | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -35.4 | 173.8 | -64.2 | -174.9 | 0 | 0 | 0 | 111.4 | W1135 M1193 D1196 P1197 K1198 D1203 P1204 V1232 L1265 | W1135-I1200 HydrophobicContact CH2-CB 4.19Å; W1135-I1200 HydrophobicContact CH2-CG2 3.91Å; W1135-I1200 HydrophobicContact CZ2-CB 3.99Å; W1135-I1200 HydrophobicContact CZ2-CD1 3.73Å; W1135-I1200 HydrophobicContact CZ2-CG1 4.36Å; W1135-I1200 HydrophobicContact CZ2-CG2 3.93Å; W1135-I1200 HydrophobicContact CZ3-CG2 4.48Å; M1193-I1200 HydrophobicContact CB-CD1 3.93Å; M1193-I1200 HydrophobicContact CE-CD1 3.98Å; M1193-I1200 HydrophobicContact SD-CD1 4.11Å; D1196-I1200 PolarHBondContact O-N 3.1Å; P1197-I1200 PolarHBondContact O-N 2.65Å; K1198-I1200 VanDerWaalsContact C-N 3.34Å; I1200-D1203 CarbonylContact O-C 3.51Å; I1200-D1203 VanDerWaalsContact O-C 3.32Å; I1200-P1204 WeakPolarHBondContact O-CA 3.44Å; I1200-P1204 WeakPolarHBondContact O-CG 3.45Å; I1200-P1204 VanDerWaalsContact O-N 3.13Å; I1200-V1232 HydrophobicContact CG2-CG1 4.3Å; I1200-L1265 HydrophobicContact CG2-CD2 3.92Å |
| 1201 | L | 88.1 | Confident | 88.4 | Confident | 81 Ų | 81 | 34.5 Ų | 34.5 | 42% | 0.424 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64 | -39.6 | 173.6 | 176.5 | 64.9 | 0 | 0 | 0 | 111.9 | P1197 K1198 T1199 V1232 L1234 | P1197-L1201 PolarHBondContact O-N 2.8Å; K1198-L1201 WeakPolarHBondContact O-CB 3.48Å; K1198-L1201 PolarHBondContact O-N 2.78Å; T1199-L1201 VanDerWaalsContact C-N 3.35Å; L1201-V1232 HydrophobicContact CB-CG1 4.21Å; L1201-V1232 HydrophobicContact CD1-CB 3.74Å; L1201-V1232 HydrophobicContact CD1-CG1 4.12Å; L1201-V1232 WeakPolarHBondContact CD1-O 3.47Å; L1201-L1234 HydrophobicContact CD2-CD1 3.91Å; L1201-L1234 HydrophobicContact CD2-CG 4.28Å |
| 1202 | S | 84.6 | Confident | 88.7 | Confident | 95 Ų | 95 | 34.6 Ų | 34.6 | 66% | 0.664 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -76.3 | -40.1 | 179.4 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | K1198 T1199 | K1198-S1202 PolarHBondContact O-N 2.97Å; K1198-S1202 PolarHBondContact O-OG 3.22Å; T1199-S1202 WeakPolarHBondContact CA-OG 3.45Å; T1199-S1202 PolarHBondContact O-N 3.03Å; T1199-S1202 PolarHBondContact O-OG 2.92Å |
| 1203 | D | 87.1 | Confident | 89.3 | Confident | 56 Ų | 56 | 29.2 Ų | 29.2 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -130.5 | 89.6 | 174.7 | -178.5 | 65.9 | 0 | 0 | 0 | 108.9 | A801 R827 T1199 I1200 | A801-D1203 WeakPolarHBondContact CB-OD2 3.28Å; R827-D1203 IonicContact CZ-OD2 2.93Å; R827-D1203 IonicContact NH1-OD2 3.47Å; R827-D1203 PolarHBondContact NH1-OD2 3.31Å; R827-D1203 PolarHBondContact NH2-O 3.06Å; R827-D1203 IonicContact NH2-OD2 2.68Å; R827-D1203 PolarHBondContact NH2-OD2 2.49Å; T1199-D1203 PolarHBondContact O-N 2.84Å; I1200-D1203 CarbonylContact O-C 3.51Å; I1200-D1203 VanDerWaalsContact O-C 3.32Å |
| 1204 | P | 91.7 | Very high | 89.5 | Confident | 17 Ų | 17 | 32.6 Ų | 32.6 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 144.7 | 179.6 | -9.9 | 24 | 0 | 0 | 0 | 111.1 | I1200 T1229 P1230 V1232 | I1200-P1204 WeakPolarHBondContact O-CA 3.44Å; I1200-P1204 WeakPolarHBondContact O-CG 3.45Å; I1200-P1204 VanDerWaalsContact O-N 3.13Å; P1204-T1229 HydrophobicContact CB-CG2 3.77Å; P1204-T1229 HydrophobicContact CG-CG2 3.46Å; P1204-T1229 VanDerWaalsContact CG-CG2 3.46Å; P1204-P1230 HydrophobicContact CB-CG 4.14Å; P1204-V1232 HydrophobicContact CB-CG2 3.57Å; P1204-V1232 HydrophobicContact CG-CG2 3.57Å |
| 1205 | P | 92.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 136.6 | 168 | -13.3 | 24 | 0 | 0 | 0 | 111.3 | R827 F1164 Q1165 M1193 P1230 | R827-P1205 VanDerWaalsContact NH1-CA 3.33Å; F1164-P1205 HydrophobicContact CE2-CB 3.76Å; F1164-P1205 HydrophobicContact CE2-CG 4.31Å; F1164-P1205 WeakPolarHBondContact CE2-O 3.17Å; F1164-P1205 HydrophobicContact CZ-CB 4.12Å; F1164-P1205 HydrophobicContact CZ-CG 4.18Å; Q1165-P1205 HydrophobicContact CG-CB 4.36Å; Q1165-P1205 HydrophobicContact CG-CG 4.44Å; M1193-P1205 HydrophobicContact SD-CG 4.04Å; P1205-P1230 WeakPolarHBondContact O-CD 3.47Å |
| 1206 | P | 94.5 | Very high | 89.4 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 144.6 | 177.3 | 30.6 | -33.9 | 0 | 0 | 0 | 110.5 | T803 Q1227 I1228 | T803-P1206 HydrophobicContact CG2-CG 3.79Å; T803-P1206 WeakPolarHBondContact OG1-CD 2.98Å; P1206-Q1227 HydrophobicContact CB-CB 4.36Å; P1206-Q1227 HydrophobicContact CB-CG 4.47Å; P1206-I1228 CarbonylContact C-O 3.52Å; P1206-I1228 WeakPolarHBondContact CA-O 3.09Å |
| 1207 | V | 95 | Very high | 88.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.2 | 166.8 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | L1137 C1162 F1164 I1209 I1228 P1230 F1263 | L1137-V1207 HydrophobicContact CD1-CG2 4.18Å; L1137-V1207 HydrophobicContact CD2-CG2 3.88Å; C1162-V1207 WeakPolarHBondContact SG-CG1 3.31Å; F1164-V1207 HydrophobicContact CD2-CB 4.49Å; F1164-V1207 HydrophobicContact CD2-CG2 3.8Å; F1164-V1207 HydrophobicContact CE2-CG2 4.24Å; V1207-I1209 HydrophobicContact CG1-CD1 3.87Å; V1207-I1209 HydrophobicContact CG1-CG1 4.45Å; V1207-I1228 PolarHBondContact N-O 3.01Å; V1207-I1228 PolarHBondContact O-N 3.06Å; V1207-P1230 HydrophobicContact CG2-CB 4.24Å; V1207-P1230 HydrophobicContact CG2-CG 4.23Å; V1207-F1263 HydrophobicContact CB-CD1 4.23Å; V1207-F1263 HydrophobicContact CB-CE1 4.47Å; V1207-F1263 HydrophobicContact CG1-CD1 3.96Å; V1207-F1263 HydrophobicContact CG1-CE1 3.9Å; V1207-F1263 HydrophobicContact CG2-CD1 4.07Å; V1207-F1263 HydrophobicContact CG2-CG 4.44Å |
| 1208 | M | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.9 | 174.2 | -70.7 | -58.3 | -52.7 | 0 | 0 | 110 | M572 I822 Q825 C1162 S1163 R1225 Q1227 | M572-M1208 HydrophobicContact CG-CG 4.44Å; I822-M1208 HydrophobicContact CD1-CE 4.2Å; Q825-M1208 PolarHBondContact NE2-SD 2.73Å; C1162-M1208 CarbonylContact C-O 3.57Å; C1162-M1208 WeakPolarHBondContact CA-O 3.43Å; S1163-M1208 PolarHBondContact N-O 3.37Å; S1163-M1208 PolarHBondContact O-N 3.5Å; M1208-R1225 VanDerWaalsContact CE-CD 3.49Å; M1208-R1225 HydrophobicContact CE-CG 3.6Å; M1208-Q1227 HydrophobicContact CE-CG 3.88Å; M1208-Q1227 VanDerWaalsContact SD-CD 3.58Å; M1208-Q1227 HydrophobicContact SD-CG 3.13Å; M1208-Q1227 WeakPolarHBondContact SD-CG 3Å; M1208-Q1227 PolarHBondContact SD-NE2 2.77Å |
| 1209 | I | 95.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.2 | 175.3 | -55.9 | -62.2 | 0 | 0 | 0 | 108.5 | I1141 V1160 C1162 V1207 R1225 L1226 I1228 I1259 F1263 | I1141-I1209 HydrophobicContact CD1-CD1 4.49Å; V1160-I1209 HydrophobicContact CG1-CG2 3.7Å; C1162-I1209 HydrophobicContact CB-CD1 3.85Å; C1162-I1209 VanDerWaalsContact SG-CD1 3.53Å; V1207-I1209 HydrophobicContact CG1-CD1 3.87Å; V1207-I1209 HydrophobicContact CG1-CG1 4.45Å; I1209-R1225 CarbonylContact O-C 3.54Å; I1209-R1225 VanDerWaalsContact O-CA 3.22Å; I1209-R1225 WeakPolarHBondContact O-CA 3.42Å; I1209-R1225 WeakPolarHBondContact O-CG 3.49Å; I1209-L1226 HydrophobicContact CB-CD2 3.69Å; I1209-L1226 HydrophobicContact CB-CG 4.03Å; I1209-L1226 HydrophobicContact CG2-CD2 3.71Å; I1209-L1226 PolarHBondContact N-O 2.86Å; I1209-L1226 PolarHBondContact O-N 3.18Å; I1209-I1228 HydrophobicContact CG1-CD1 4.27Å; I1209-I1259 HydrophobicContact CG2-CD1 4.05Å; I1209-F1263 HydrophobicContact CD1-CE1 3.64Å; I1209-F1263 HydrophobicContact CD1-CZ 3.65Å; I1209-F1263 HydrophobicContact CG1-CE1 4.32Å; I1209-F1263 HydrophobicContact CG1-CZ 3.92Å |
| 1210 | E | 94.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.2 | 174.9 | -64 | 177.8 | 131.7 | 0 | 0 | 109.5 | Y617 V1160 R1161 F1212 F1222 R1225 | Y617-E1210 WeakPolarHBondContact CE2-OE2 3.25Å; Y617-E1210 VanDerWaalsContact CZ-OE2 3.31Å; Y617-E1210 PolarHBondContact OH-OE1 3.09Å; Y617-E1210 PolarHBondContact OH-OE2 3Å; V1160-E1210 WeakPolarHBondContact CA-O 3.36Å; R1161-E1210 HydrophobicContact CB-CB 4.41Å; R1161-E1210 PolarHBondContact N-O 3.39Å; R1161-E1210 PolarHBondContact O-N 3Å; E1210-F1212 HydrophobicContact CB-CD2 4.2Å; E1210-F1212 HydrophobicContact CB-CE2 3.41Å; E1210-F1212 VanDerWaalsContact CB-CE2 3.41Å; E1210-F1212 HydrophobicContact CB-CZ 4.01Å; E1210-F1212 HydrophobicContact CG-CE2 4.41Å; E1210-F1222 HydrophobicContact CB-CE2 4.45Å; E1210-F1222 HydrophobicContact CG-CE2 4.47Å; E1210-R1225 HydrophobicContact CG-CB 4.34Å; E1210-R1225 HydrophobicContact CG-CG 4.05Å; E1210-R1225 IonicContact OE1-CZ 2.82Å; E1210-R1225 IonicContact OE1-NH1 2.71Å; E1210-R1225 PolarHBondContact OE1-NH1 3.21Å; E1210-R1225 IonicContact OE1-NH2 3.81Å; E1210-R1225 PolarHBondContact OE1-NH2 2.89Å |
| 1211 | L | 95 | Very high | 87.5 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.3 | 178.2 | -171.5 | 73.3 | 0 | 0 | 0 | 109.6 | V1147 P1158 F1159 V1160 W1182 L1223 G1224 I1249 | V1147-L1211 HydrophobicContact CB-CD2 4.24Å; V1147-L1211 HydrophobicContact CG1-CD2 3.59Å; V1147-L1211 HydrophobicContact CG2-CD2 3.67Å; P1158-L1211 HydrophobicContact CB-CD1 4.28Å; F1159-L1211 WeakPolarHBondContact O-CD1 3.22Å; V1160-L1211 HydrophobicContact CG2-CD1 3.57Å; W1182-L1211 HydrophobicContact CH2-CD1 3.73Å; W1182-L1211 HydrophobicContact CZ2-CD1 4.09Å; L1211-L1223 HydrophobicContact CB-CB 4.3Å; L1211-L1223 HydrophobicContact CD2-CB 4.09Å; L1211-L1223 HydrophobicContact CD2-CD1 4.16Å; L1211-L1223 HydrophobicContact CG-CB 4.15Å; L1211-L1223 HydrophobicContact CG-CD1 4.15Å; L1211-L1223 WeakPolarHBondContact O-CA 3.26Å; L1211-L1223 WeakPolarHBondContact O-CB 3.3Å; L1211-L1223 PolarHBondContact O-N 3.33Å; L1211-G1224 PolarHBondContact N-O 3.34Å; L1211-G1224 PolarHBondContact O-N 2.75Å; L1211-I1249 HydrophobicContact CB-CD1 4.25Å; L1211-I1249 HydrophobicContact CD2-CD1 3.64Å; L1211-I1249 HydrophobicContact CG-CD1 4.49Å |
| 1212 | F | 93.2 | Very high | 87.6 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.8 | -177.9 | -67.5 | -85.3 | 0 | 0 | 0 | 111.2 | W820 P1158 F1159 R1161 E1210 D1220 H1221 F1222 | W820-F1212 HydrophobicContact CE3-CE1 4.48Å; W820-F1212 HydrophobicContact CE3-CZ 4.48Å; W820-F1212 AromaticContact CH2-CE1 3.39Å; W820-F1212 HydrophobicContact CH2-CE1 3.39Å; W820-F1212 AromaticContact CH2-CZ 3.51Å; W820-F1212 HydrophobicContact CH2-CZ 3.51Å; W820-F1212 AromaticContact CZ2-CE1 3.8Å; W820-F1212 HydrophobicContact CZ2-CE1 3.8Å; W820-F1212 HydrophobicContact CZ2-CZ 4.37Å; W820-F1212 AromaticContact CZ3-CE1 3.78Å; W820-F1212 HydrophobicContact CZ3-CE1 3.78Å; W820-F1212 AromaticContact CZ3-CZ 3.58Å; W820-F1212 HydrophobicContact CZ3-CZ 3.58Å; P1158-F1212 CarbonylContact C-O 3.53Å; P1158-F1212 WeakPolarHBondContact CA-O 3.39Å; F1159-F1212 HydrophobicContact CD1-CB 3.99Å; F1159-F1212 HydrophobicContact CE1-CB 3.41Å; F1159-F1212 VanDerWaalsContact CE1-CB 3.41Å; F1159-F1212 HydrophobicContact CE1-CG 4.37Å; F1159-F1212 HydrophobicContact CE2-CB 4.16Å; F1159-F1212 HydrophobicContact CE2-CD2 4.15Å; F1159-F1212 HydrophobicContact CE2-CG 4.47Å; F1159-F1212 HydrophobicContact CZ-CB 3.51Å; F1159-F1212 HydrophobicContact CZ-CD2 4.12Å; F1159-F1212 AromaticContact CZ-CG 4Å; F1159-F1212 HydrophobicContact CZ-CG 4Å; F1159-F1212 PolarHBondContact N-O 2.81Å; F1159-F1212 PolarHBondContact O-N 2.89Å; R1161-F1212 HydrophobicContact CB-CD2 4.31Å; R1161-F1212 HydrophobicContact CB-CE2 4.1Å; E1210-F1212 HydrophobicContact CB-CD2 4.2Å; E1210-F1212 HydrophobicContact CB-CE2 3.41Å; E1210-F1212 VanDerWaalsContact CB-CE2 3.41Å; E1210-F1212 HydrophobicContact CB-CZ 4.01Å; E1210-F1212 HydrophobicContact CG-CE2 4.41Å; F1212-D1220 HydrophobicContact CB-CB 4.24Å; F1212-D1220 HydrophobicContact CD1-CB 4.28Å; F1212-H1221 CarbonylContact C-O 3.5Å; F1212-H1221 WeakPolarHBondContact CA-O 3.4Å; F1212-F1222 HydrophobicContact CD1-CB 4.15Å; F1212-F1222 HydrophobicContact CD1-CD2 4.32Å; F1212-F1222 HydrophobicContact CE1-CB 3.9Å; F1212-F1222 AromaticContact CE1-CD2 3.7Å; F1212-F1222 HydrophobicContact CE1-CD2 3.7Å; F1212-F1222 HydrophobicContact CE1-CG 4.3Å; F1212-F1222 AromaticContact CZ-CD2 3.89Å; F1212-F1222 HydrophobicContact CZ-CD2 3.89Å |
| 1213 | D | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.8 | 164.8 | 170.4 | 55.3 | 0 | 0 | 0 | 108.3 | A1150 S1156 D1157 D1220 H1221 L1223 | A1150-D1213 HydrophobicContact CB-CB 3.65Å; A1150-D1213 WeakPolarHBondContact CB-OD2 3.35Å; S1156-D1213 WeakPolarHBondContact CA-OD1 3.45Å; S1156-D1213 VanDerWaalsContact CB-OD1 3.28Å; S1156-D1213 WeakPolarHBondContact CB-OD1 3.45Å; D1157-D1213 PolarHBondContact N-OD1 2.86Å; D1213-D1220 CarbonylContact O-C 3.48Å; D1213-D1220 VanDerWaalsContact O-CA 3.25Å; D1213-D1220 WeakPolarHBondContact O-CA 3.44Å; D1213-D1220 WeakPolarHBondContact O-CB 3.39Å; D1213-H1221 HydrophobicContact CB-CB 4.11Å; D1213-H1221 PolarHBondContact N-O 3.33Å; D1213-H1221 PolarHBondContact O-N 2.9Å; D1213-L1223 HydrophobicContact CB-CD1 3.95Å; D1213-L1223 HydrophobicContact CB-CD2 3.94Å; D1213-L1223 HydrophobicContact CB-CG 4.11Å |
| 1214 | Y | 91.6 | Very high | 88.1 | Confident | 84 Ų | 84 | 38.6 Ų | 38.6 | 33% | 0.329 | 21% | 0.207 | S | C | . | . | trans | -75.7 | 126.6 | -178.9 | 172.9 | -102.1 | 0 | 0 | 0 | 111.2 | D1157 I1173 D1220 | D1157-Y1214 PolarHBondContact O-N 2.68Å; I1173-Y1214 HydrophobicContact CD1-CD1 4.01Å; I1173-Y1214 HydrophobicContact CD1-CD2 3.56Å; I1173-Y1214 HydrophobicContact CD1-CE1 4.42Å; I1173-Y1214 HydrophobicContact CD1-CE2 4.02Å; I1173-Y1214 HydrophobicContact CD1-CG 3.55Å; I1173-Y1214 HydrophobicContact CG1-CG 4.25Å; I1173-Y1214 HydrophobicContact CG2-CD1 4.33Å; I1173-Y1214 HydrophobicContact CG2-CG 4.24Å; Y1214-D1220 WeakPolarHBondContact CD2-OD1 3.49Å | ||
| 1215 | D | 82.9 | Confident | 88.2 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | trans | -115.8 | 128 | 177.7 | -90.7 | -50.6 | 0 | 0 | 0 | 110.5 | S1218 D1220 | D1215-S1218 VanDerWaalsContact CB-OG 3.23Å; D1215-S1218 WeakPolarHBondContact CB-OG 3.22Å; D1215-S1218 PolarHBondContact OD2-OG 3.37Å; D1215-D1220 PolarHBondContact N-OD1 3.35Å | ||
| 1216 | Q | 76.2 | Confident | 88.2 | Confident | 168 Ų | 168 | 40.2 Ų | 40.2 | 79% | 0.785 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -71.6 | -33.3 | -179.6 | -169.4 | 178.8 | 16 | 0 | 0 | 113.6 | ||
| 1217 | L | 72.7 | Confident | 88.1 | Confident | 173 Ų | 173 | 43.6 Ų | 43.6 | 91% | 0.906 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -112.4 | -6.2 | -171.9 | -66.6 | 173.1 | 0 | 0 | 0 | 113.8 | ||
| 1218 | S | 66.2 | Low | 87.9 | Confident | 70 Ų | 70 | 43.9 Ų | 43.9 | 49% | 0.49 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -131.2 | 175.3 | 178.7 | 42.7 | 0 | 0 | 0 | 0 | 111 | D1215 | D1215-S1218 VanDerWaalsContact CB-OG 3.23Å; D1215-S1218 WeakPolarHBondContact CB-OG 3.22Å; D1215-S1218 PolarHBondContact OD2-OG 3.37Å |
| 1219 | S | 77.5 | Confident | 87.6 | Confident | 106 Ų | 106 | 48.2 Ų | 48.2 | 74% | 0.741 | 25% | 0.254 | S | S | * | . | trans | -68.9 | 137.2 | 168.9 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | H1221 | S1219-H1221 PolarHBondContact O-N 3.44Š| ||
| 1220 | D | 83.8 | Confident | 87.5 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | trans | -45.2 | 133.6 | 176.3 | -52.2 | -36 | 0 | 0 | 0 | 112.4 | F1159 F1212 D1213 Y1214 D1215 | F1159-D1220 HydrophobicContact CE1-CB 4.12Å; F1159-D1220 HydrophobicContact CZ-CB 4.23Å; F1159-D1220 WeakPolarHBondContact CZ-OD2 3.17Å; F1212-D1220 HydrophobicContact CB-CB 4.24Å; F1212-D1220 HydrophobicContact CD1-CB 4.28Å; D1213-D1220 CarbonylContact O-C 3.48Å; D1213-D1220 VanDerWaalsContact O-CA 3.25Å; D1213-D1220 WeakPolarHBondContact O-CA 3.44Å; D1213-D1220 WeakPolarHBondContact O-CB 3.39Å; Y1214-D1220 WeakPolarHBondContact CD2-OD1 3.49Å; D1215-D1220 PolarHBondContact N-OD1 3.35Å | ||
| 1221 | H | 87.6 | Confident | 87.2 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.2 | -174.1 | -171.3 | 91.4 | 0 | 0 | 0 | 111.2 | A1150 F1212 D1213 S1219 L1223 K1251 | A1150-H1221 HydrophobicContact CB-CB 4.26Å; F1212-H1221 CarbonylContact C-O 3.5Å; F1212-H1221 WeakPolarHBondContact CA-O 3.4Å; D1213-H1221 HydrophobicContact CB-CB 4.11Å; D1213-H1221 PolarHBondContact N-O 3.33Å; D1213-H1221 PolarHBondContact O-N 2.9Å; S1219-H1221 PolarHBondContact O-N 3.44Å; H1221-L1223 PolarHBondContact O-N 3.49Å; H1221-K1251 PolarHBondContact NE2-NZ 2.61Å; H1221-K1251 VanDerWaalsContact NE2-NZ 3.13Å |
| 1222 | F | 90.8 | Very high | 87 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 123.7 | -178.5 | 177 | -103.2 | 0 | 0 | 0 | 112.3 | W820 E1210 F1212 G1224 R1225 K1251 | W820-F1222 HydrophobicContact CB-CB 4.5Å; W820-F1222 HydrophobicContact CB-CD1 3.36Å; W820-F1222 HydrophobicContact CB-CE1 3.52Å; W820-F1222 HydrophobicContact CB-CG 3.91Å; W820-F1222 HydrophobicContact CB-CZ 4.18Å; W820-F1222 HydrophobicContact CD2-CB 3.64Å; W820-F1222 AromaticContact CD2-CD1 3.99Å; W820-F1222 HydrophobicContact CD2-CD1 3.99Å; W820-F1222 AromaticContact CD2-CD2 3.78Å; W820-F1222 HydrophobicContact CD2-CD2 3.78Å; W820-F1222 HydrophobicContact CD2-CE2 4.39Å; W820-F1222 AromaticContact CD2-CG 3.53Å; W820-F1222 HydrophobicContact CD2-CG 3.53Å; W820-F1222 HydrophobicContact CE3-CB 4.18Å; W820-F1222 HydrophobicContact CE3-CD1 4.33Å; W820-F1222 AromaticContact CE3-CD2 3.45Å; W820-F1222 HydrophobicContact CE3-CD2 3.45Å; W820-F1222 VanDerWaalsContact CE3-CD2 3.45Å; W820-F1222 AromaticContact CE3-CE2 3.78Å; W820-F1222 HydrophobicContact CE3-CE2 3.78Å; W820-F1222 AromaticContact CE3-CG 3.73Å; W820-F1222 HydrophobicContact CE3-CG 3.73Å; W820-F1222 HydrophobicContact CE3-CZ 4.34Å; W820-F1222 HydrophobicContact CG-CB 3.76Å; W820-F1222 AromaticContact CG-CD1 3.57Å; W820-F1222 HydrophobicContact CG-CD1 3.57Å; W820-F1222 HydrophobicContact CG-CD2 4.26Å; W820-F1222 HydrophobicContact CG-CE1 4.17Å; W820-F1222 AromaticContact CG-CG 3.6Å; W820-F1222 HydrophobicContact CG-CG 3.6Å; W820-F1222 HydrophobicContact CZ2-CB 4.27Å; W820-F1222 AromaticContact CZ3-CD2 3.93Å; W820-F1222 HydrophobicContact CZ3-CD2 3.93Å; W820-F1222 HydrophobicContact CZ3-CE2 4.37Å; W820-F1222 HydrophobicContact CZ3-CG 4.48Å; E1210-F1222 HydrophobicContact CB-CE2 4.45Å; E1210-F1222 HydrophobicContact CG-CE2 4.47Å; F1212-F1222 HydrophobicContact CD1-CB 4.15Å; F1212-F1222 HydrophobicContact CD1-CD2 4.32Å; F1212-F1222 HydrophobicContact CE1-CB 3.9Å; F1212-F1222 AromaticContact CE1-CD2 3.7Å; F1212-F1222 HydrophobicContact CE1-CD2 3.7Å; F1212-F1222 HydrophobicContact CE1-CG 4.3Å; F1212-F1222 AromaticContact CZ-CD2 3.89Å; F1212-F1222 HydrophobicContact CZ-CD2 3.89Å; F1222-G1224 VanDerWaalsContact CE2-C 3.42Å; F1222-G1224 WeakPolarHBondContact CE2-O 3.44Å; F1222-G1224 WeakPolarHBondContact CZ-O 3.14Å; F1222-R1225 HydrophobicContact CE2-CB 3.99Å; F1222-R1225 HydrophobicContact CZ-CB 3.69Å; F1222-K1251 HydrophobicContact CD1-CG 4.43Å; F1222-K1251 HydrophobicContact CE1-CG 4.31Å; F1222-K1251 WeakPolarHBondContact O-CE 3.44Å; F1222-K1251 PolarHBondContact O-NZ 3.36Å |
| 1223 | L | 89 | Confident | 86.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -24 | -179.5 | -53.2 | -178.1 | 0 | 0 | 0 | 112.7 | V1147 L1148 A1150 L1211 D1213 H1221 | V1147-L1223 HydrophobicContact CG1-CD1 3.36Å; V1147-L1223 HydrophobicContact CG1-CG 4.49Å; L1148-L1223 HydrophobicContact CB-CD2 4.22Å; A1150-L1223 HydrophobicContact CB-CD2 3.63Å; L1211-L1223 HydrophobicContact CB-CB 4.3Å; L1211-L1223 HydrophobicContact CD2-CB 4.09Å; L1211-L1223 HydrophobicContact CD2-CD1 4.16Å; L1211-L1223 HydrophobicContact CG-CB 4.15Å; L1211-L1223 HydrophobicContact CG-CD1 4.15Å; L1211-L1223 WeakPolarHBondContact O-CA 3.26Å; L1211-L1223 WeakPolarHBondContact O-CB 3.3Å; L1211-L1223 PolarHBondContact O-N 3.33Å; D1213-L1223 HydrophobicContact CB-CD1 3.95Å; D1213-L1223 HydrophobicContact CB-CD2 3.94Å; D1213-L1223 HydrophobicContact CB-CG 4.11Å; H1221-L1223 PolarHBondContact O-N 3.49Å |
| 1224 | G | 92.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1211 F1222 E1250 | L1211-G1224 PolarHBondContact N-O 3.34Å; L1211-G1224 PolarHBondContact O-N 2.75Å; F1222-G1224 VanDerWaalsContact CE2-C 3.42Å; F1222-G1224 WeakPolarHBondContact CE2-O 3.44Å; F1222-G1224 WeakPolarHBondContact CZ-O 3.14Å; G1224-E1250 VanDerWaalsContact CA-O 3.27Å; G1224-E1250 WeakPolarHBondContact CA-O 3.33Å |
| 1225 | R | 93.8 | Very high | 85.6 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157 | -174.3 | 176.7 | -155.9 | -54.8 | -85.2 | -7.6 | 111.2 | W820 M1208 I1209 E1210 F1222 E1250 | W820-R1225 PolarHBondContact O-NH2 3.32Å; M1208-R1225 VanDerWaalsContact CE-CD 3.49Å; M1208-R1225 HydrophobicContact CE-CG 3.6Å; I1209-R1225 CarbonylContact O-C 3.54Å; I1209-R1225 VanDerWaalsContact O-CA 3.22Å; I1209-R1225 WeakPolarHBondContact O-CA 3.42Å; I1209-R1225 WeakPolarHBondContact O-CG 3.49Å; E1210-R1225 HydrophobicContact CG-CB 4.34Å; E1210-R1225 HydrophobicContact CG-CG 4.05Å; E1210-R1225 IonicContact OE1-CZ 2.82Å; E1210-R1225 IonicContact OE1-NH1 2.71Å; E1210-R1225 PolarHBondContact OE1-NH1 3.21Å; E1210-R1225 IonicContact OE1-NH2 3.81Å; E1210-R1225 PolarHBondContact OE1-NH2 2.89Å; F1222-R1225 HydrophobicContact CE2-CB 3.99Å; F1222-R1225 HydrophobicContact CZ-CB 3.69Å; R1225-E1250 PolarHBondContact N-O 3.46Å; R1225-E1250 PolarHBondContact O-N 3.1Å |
| 1226 | L | 93.3 | Very high | 84.9 | Confident | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 165.7 | 164.7 | 63.7 | 163.9 | 0 | 0 | 0 | 112.2 | I1209 I1228 Y1247 I1249 I1259 | I1209-L1226 HydrophobicContact CB-CD2 3.69Å; I1209-L1226 HydrophobicContact CB-CG 4.03Å; I1209-L1226 HydrophobicContact CG2-CD2 3.71Å; I1209-L1226 PolarHBondContact N-O 2.86Å; I1209-L1226 PolarHBondContact O-N 3.18Å; L1226-I1228 HydrophobicContact CD1-CD1 3.65Å; L1226-I1228 HydrophobicContact CD1-CG1 3.84Å; L1226-I1228 HydrophobicContact CG-CD1 4.3Å; L1226-I1228 HydrophobicContact CG-CG1 4.31Å; L1226-Y1247 HydrophobicContact CD1-CG 4.08Å; L1226-I1249 HydrophobicContact CD2-CB 4.49Å; L1226-I1249 HydrophobicContact CD2-CG1 3.93Å; L1226-I1259 HydrophobicContact CD1-CG2 4.01Å; L1226-I1259 HydrophobicContact CD2-CG2 4.16Å |
| 1227 | Q | 91.6 | Very high | 84.5 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 41% | 0.411 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.5 | 174.5 | -86.9 | 178 | -40.5 | 0 | 0 | 109.4 | N805 Q825 P1206 M1208 | N805-Q1227 PolarHBondContact ND2-NE2 3.13Å; N805-Q1227 VanDerWaalsContact ND2-NE2 3.17Å; Q825-Q1227 VanDerWaalsContact NE2-NE2 3.12Å; P1206-Q1227 HydrophobicContact CB-CB 4.36Å; P1206-Q1227 HydrophobicContact CB-CG 4.47Å; M1208-Q1227 HydrophobicContact CE-CG 3.88Å; M1208-Q1227 VanDerWaalsContact SD-CD 3.58Å; M1208-Q1227 HydrophobicContact SD-CG 3.13Å; M1208-Q1227 WeakPolarHBondContact SD-CG 3Å; M1208-Q1227 PolarHBondContact SD-NE2 2.77Å |
| 1228 | I | 90.3 | Very high | 83.9 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134 | -178 | -60.5 | 172.6 | 0 | 0 | 0 | 110.4 | P1206 V1207 I1209 L1226 Y1247 F1263 | P1206-I1228 CarbonylContact C-O 3.52Å; P1206-I1228 WeakPolarHBondContact CA-O 3.09Å; V1207-I1228 PolarHBondContact N-O 3.01Å; V1207-I1228 PolarHBondContact O-N 3.06Å; I1209-I1228 HydrophobicContact CG1-CD1 4.27Å; L1226-I1228 HydrophobicContact CD1-CD1 3.65Å; L1226-I1228 HydrophobicContact CD1-CG1 3.84Å; L1226-I1228 HydrophobicContact CG-CD1 4.3Å; L1226-I1228 HydrophobicContact CG-CG1 4.31Å; I1228-Y1247 HydrophobicContact CD1-CD1 4.07Å; I1228-Y1247 HydrophobicContact CD1-CD2 3.54Å; I1228-Y1247 HydrophobicContact CD1-CE1 4.36Å; I1228-Y1247 HydrophobicContact CD1-CE2 3.83Å; I1228-Y1247 HydrophobicContact CD1-CG 3.66Å; I1228-Y1247 HydrophobicContact CG1-CD1 4.1Å; I1228-Y1247 HydrophobicContact CG1-CD2 4.44Å; I1228-Y1247 HydrophobicContact CG1-CE1 4.33Å; I1228-Y1247 HydrophobicContact CG1-CG 4.16Å; I1228-Y1247 HydrophobicContact CG2-CE1 4.17Å; I1228-Y1247 HydrophobicContact CG2-CE2 4.48Å; I1228-F1263 HydrophobicContact CB-CD2 4.31Å; I1228-F1263 HydrophobicContact CB-CE2 4.29Å; I1228-F1263 HydrophobicContact CD1-CD2 4.12Å; I1228-F1263 HydrophobicContact CD1-CE2 3.34Å; I1228-F1263 HydrophobicContact CD1-CZ 3.9Å; I1228-F1263 HydrophobicContact CG1-CE2 4.41Å; I1228-F1263 HydrophobicContact CG2-CD2 3.66Å; I1228-F1263 HydrophobicContact CG2-CE2 4.01Å; I1228-F1263 HydrophobicContact CG2-CG 4.46Å |
| 1229 | T | 89.1 | Confident | 83.5 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 56% | 0.558 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 122.3 | 173.5 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | P1204 | P1204-T1229 HydrophobicContact CB-CG2 3.77Å; P1204-T1229 HydrophobicContact CG-CG2 3.46Å; P1204-T1229 VanDerWaalsContact CG-CG2 3.46Å |
| 1230 | P | 92.6 | Very high | 82.4 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 152.6 | -179.5 | 31.2 | -35.4 | 0 | 0 | 0 | 112.4 | L1137 F1164 P1204 P1205 V1207 V1232 F1263 L1265 | L1137-P1230 HydrophobicContact CD1-CB 3.95Å; F1164-P1230 HydrophobicContact CE2-CG 4.48Å; P1204-P1230 HydrophobicContact CB-CG 4.14Å; P1205-P1230 WeakPolarHBondContact O-CD 3.47Å; V1207-P1230 HydrophobicContact CG2-CB 4.24Å; V1207-P1230 HydrophobicContact CG2-CG 4.23Å; P1230-V1232 PolarHBondContact O-N 2.92Å; P1230-F1263 HydrophobicContact CB-CB 3.9Å; P1230-L1265 HydrophobicContact CB-CB 4.13Å; P1230-L1265 HydrophobicContact CG-CB 4.18Å; P1230-L1265 HydrophobicContact CG-CD2 4.4Å |
| 1231 | A | 88.6 | Confident | 81.2 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 117.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1263 E1264 L1265 | A1231-F1263 PolarHBondContact N-O 2.92Å; A1231-E1264 CarbonylContact O-C 3.26Å; A1231-E1264 WeakPolarHBondContact O-CA 3.5Å; A1231-L1265 PolarHBondContact O-N 3.48Å |
| 1232 | V | 90.2 | Very high | 80.2 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 132.7 | -173.1 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | W1135 I1200 L1201 P1204 P1230 L1234 W1240 L1265 | W1135-V1232 HydrophobicContact CH2-CG1 3.82Å; W1135-V1232 HydrophobicContact CZ3-CG1 3.61Å; I1200-V1232 HydrophobicContact CG2-CG1 4.3Å; L1201-V1232 HydrophobicContact CB-CG1 4.21Å; L1201-V1232 HydrophobicContact CD1-CB 3.74Å; L1201-V1232 HydrophobicContact CD1-CG1 4.12Å; L1201-V1232 WeakPolarHBondContact CD1-O 3.47Å; P1204-V1232 HydrophobicContact CB-CG2 3.57Å; P1204-V1232 HydrophobicContact CG-CG2 3.57Å; P1230-V1232 PolarHBondContact O-N 2.92Å; V1232-L1234 HydrophobicContact CG1-CD2 4.43Å; V1232-W1240 WeakPolarHBondContact O-CH2 3.48Å; V1232-W1240 WeakPolarHBondContact O-CZ3 3.31Å; V1232-L1265 CarbonylContact C-O 3.42Å; V1232-L1265 WeakPolarHBondContact CA-O 3.26Å; V1232-L1265 HydrophobicContact CG2-CB 4.4Å; V1232-L1265 HydrophobicContact CG2-CD2 4.15Å |
| 1233 | R | 86.1 | Confident | 79.4 | Confident | 18 Ų | 18 | 54 Ų | 54 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.1 | 179.2 | -74.1 | 178.4 | 60.6 | -175.9 | -5.7 | 111.4 | D1235 T1236 T1238 W1240 E1264 L1265 I1266 L1267 | R1233-D1235 PolarHBondContact NE-O 3.44Å; R1233-D1235 PolarHBondContact NH2-O 2.91Å; R1233-T1236 VanDerWaalsContact NH2-C 3.3Å; R1233-T1236 PolarHBondContact NH2-O 3.14Å; R1233-T1238 PolarHBondContact NE-O 2.66Å; R1233-T1238 PolarHBondContact NH2-O 3.29Å; R1233-W1240 HydrophobicContact CB-CZ3 4.39Å; R1233-W1240 HydrophobicContact CG-CE3 3.54Å; R1233-W1240 HydrophobicContact CG-CH2 3.94Å; R1233-W1240 HydrophobicContact CG-CZ3 3.2Å; R1233-E1264 WeakPolarHBondContact CD-OE1 3.33Å; R1233-E1264 IonicContact CZ-OE1 3.17Å; R1233-E1264 IonicContact NE-OE1 3.83Å; R1233-E1264 IonicContact NH1-OE1 3.94Å; R1233-E1264 PolarHBondContact NH1-OE1 2.95Å; R1233-L1265 PolarHBondContact N-O 3.1Å; R1233-I1266 HydrophobicContact CB-CG2 4.49Å; R1233-L1267 PolarHBondContact O-N 3.35Å |
| 1234 | L | 86.6 | Confident | 79.2 | Confident | 62 Ų | 62 | 54 Ų | 54 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -86.7 | -15.4 | 173.9 | -55.4 | -172.1 | 0 | 0 | 0 | 113.1 | W1135 P1197 K1198 L1201 V1232 L1267 | W1135-L1234 HydrophobicContact CH2-CD2 3.75Å; W1135-L1234 HydrophobicContact CZ3-CD2 4.37Å; P1197-L1234 HydrophobicContact CB-CD2 3.57Å; K1198-L1234 HydrophobicContact CG-CD1 4.24Å; L1201-L1234 HydrophobicContact CD2-CD1 3.91Å; L1201-L1234 HydrophobicContact CD2-CG 4.28Å; V1232-L1234 HydrophobicContact CG1-CD2 4.43Å; L1234-L1267 HydrophobicContact CD2-CD2 4.44Å |
| 1235 | D | 77.4 | Confident | 78.8 | Confident | 54 Ų | 54 | 59 Ų | 59 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | trans | -127.3 | 139.7 | 177.1 | -166.8 | 16.9 | 0 | 0 | 0 | 112.7 | R1233 E1237 K1271 | R1233-D1235 PolarHBondContact NE-O 3.44Å; R1233-D1235 PolarHBondContact NH2-O 2.91Å; D1235-E1237 PolarHBondContact OD1-N 3.23Å; D1235-K1271 IonicContact OD1-NZ 3.7Å; D1235-K1271 PolarHBondContact OD1-NZ 2.73Å | ||
| 1236 | T | 67.4 | Low | 78.5 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -76.7 | -23.5 | -179.9 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | R1233 I1266 L1268 K1271 | R1233-T1236 VanDerWaalsContact NH2-C 3.3Å; R1233-T1236 PolarHBondContact NH2-O 3.14Å; T1236-I1266 HydrophobicContact CG2-CG2 4.22Å; T1236-L1268 HydrophobicContact CG2-CD2 4.34Å; T1236-K1271 HydrophobicContact CG2-CB 4.26Å; T1236-K1271 HydrophobicContact CG2-CD 3.97Å; T1236-K1271 WeakPolarHBondContact OG1-CD 3.36Å |
| 1237 | E | 67.3 | Low | 78.2 | Confident | 160 Ų | 160 | 61.6 Ų | 61.6 | 75% | 0.748 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -82.2 | -31 | -176 | -62.5 | -168.6 | -178.8 | 0 | 0 | 113.9 | D1235 T1239 | D1235-E1237 PolarHBondContact OD1-N 3.23Å; E1237-T1239 PolarHBondContact O-N 3.5Å; E1237-T1239 VanDerWaalsContact O-N 3.12Å |
| 1238 | T | 60.9 | Low | 78.1 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | trans | -68.8 | 106.5 | -177.2 | -45.2 | 0 | 0 | 0 | 0 | 112.2 | R1233 W1240 | R1233-T1238 PolarHBondContact NE-O 2.66Å; R1233-T1238 PolarHBondContact NH2-O 3.29Å; T1238-W1240 PolarHBondContact O-N 3.42Å | ||
| 1239 | T | 56.5 | Low | 78.2 | Confident | 130 Ų | 130 | 59.7 Ų | 59.7 | 80% | 0.798 | 33% | 0.325 | S | S | * | . | trans | -82.7 | 110.1 | 173.9 | 51.3 | 0 | 0 | 0 | 0 | 111 | E1237 | E1237-T1239 PolarHBondContact O-N 3.5Å; E1237-T1239 VanDerWaalsContact O-N 3.12Å | ||
| 1240 | W | 55 | Low | 78.1 | Confident | 136 Ų | 136 | 60.9 Ų | 60.9 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | trans | -91.8 | 143.9 | 160.9 | -65.7 | -38.7 | 0 | 0 | 0 | 110.2 | V1232 R1233 T1238 N1242 | V1232-W1240 WeakPolarHBondContact O-CH2 3.48Å; V1232-W1240 WeakPolarHBondContact O-CZ3 3.31Å; R1233-W1240 HydrophobicContact CB-CZ3 4.39Å; R1233-W1240 HydrophobicContact CG-CE3 3.54Å; R1233-W1240 HydrophobicContact CG-CH2 3.94Å; R1233-W1240 HydrophobicContact CG-CZ3 3.2Å; T1238-W1240 PolarHBondContact O-N 3.42Å; W1240-N1242 VanDerWaalsContact C-N 3.33Å; W1240-N1242 PolarHBondContact O-N 2.74Å; W1240-N1242 VanDerWaalsContact O-N 3.13Å | ||
| 1241 | A | 58.3 | Low | 77.6 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | trans | -76.6 | 91.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | V1243 | A1241-V1243 WeakPolarHBondContact O-CG2 3.21Å; A1241-V1243 PolarHBondContact O-N 3.07Å | ||
| 1242 | N | 66.7 | Low | 76.9 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | trans | -64.5 | 128.2 | 165.9 | -81.1 | -36.8 | 0 | 0 | 0 | 107.9 | W1240 E1264 I1290 | W1240-N1242 VanDerWaalsContact C-N 3.33Å; W1240-N1242 PolarHBondContact O-N 2.74Å; W1240-N1242 VanDerWaalsContact O-N 3.13Å; N1242-E1264 WeakPolarHBondContact ND2-CG 3.41Å; N1242-E1264 PolarHBondContact ND2-OE1 3.29Å; N1242-E1264 PolarHBondContact ND2-OE2 3.38Å; N1242-I1290 HydrophobicContact CB-CD1 4.26Å | ||
| 1243 | V | 75.2 | Confident | 76 | Confident | 80 Ų | 80 | 76.9 Ų | 76.9 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | trans | -107.5 | 130.9 | -175.5 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | A1241 Y1362 | A1241-V1243 WeakPolarHBondContact O-CG2 3.21Å; A1241-V1243 PolarHBondContact O-N 3.07Å; V1243-Y1362 WeakPolarHBondContact CG1-OH 3.41Å | ||
| 1244 | L | 85.1 | Confident | 75.4 | Confident | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | trans | -62.9 | 140.9 | 177.4 | -68.7 | 167.8 | 0 | 0 | 0 | 110.3 | F1142 L1260 A1262 I1290 P1292 Y1362 | F1142-L1244 HydrophobicContact CB-CD1 3.9Å; F1142-L1244 HydrophobicContact CB-CD2 4.13Å; F1142-L1244 HydrophobicContact CD1-CD1 4.13Å; F1142-L1244 HydrophobicContact CD2-CD1 4.34Å; F1142-L1244 HydrophobicContact CG-CD1 3.86Å; L1244-L1260 HydrophobicContact CB-CD1 3.62Å; L1244-L1260 HydrophobicContact CB-CD2 4.47Å; L1244-L1260 HydrophobicContact CB-CG 3.9Å; L1244-L1260 HydrophobicContact CD1-CD2 4.42Å; L1244-L1260 HydrophobicContact CD1-CG 4.37Å; L1244-A1262 HydrophobicContact CD2-CB 4.01Å; L1244-I1290 HydrophobicContact CD1-CG2 4.46Å; L1244-I1290 HydrophobicContact CD2-CG2 4.09Å; L1244-I1290 HydrophobicContact CG-CG2 3.87Å; L1244-P1292 HydrophobicContact CD1-CG 4.27Å; L1244-Y1362 HydrophobicContact CB-CD1 4.42Å; L1244-Y1362 HydrophobicContact CB-CE1 3.71Å; L1244-Y1362 WeakPolarHBondContact O-CE1 3.48Å; L1244-Y1362 PolarHBondContact O-OH 3.27Å | ||
| 1245 | Q | 83.7 | Confident | 74.9 | Confident | 104 Ų | 104 | 86.2 Ų | 86.2 | 49% | 0.486 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.8 | 177.9 | -66.5 | -176.1 | -1.4 | 0 | 0 | 111.9 | Y1247 L1260 A1261 | Q1245-Y1247 HydrophobicContact CB-CE1 4.5Å; Q1245-Y1247 HydrophobicContact CB-CE2 3.79Å; Q1245-Y1247 VanDerWaalsContact O-CD2 3.27Å; Q1245-Y1247 WeakPolarHBondContact O-CD2 3.44Å; Q1245-Y1247 WeakPolarHBondContact O-CE2 3.34Å; Q1245-Y1247 PolarHBondContact OE1-OH 3.3Å; Q1245-Y1247 VanDerWaalsContact OE1-OH 3.12Å; Q1245-L1260 VanDerWaalsContact C-CD1 3.45Å; Q1245-L1260 WeakPolarHBondContact O-CA 3.44Å; Q1245-A1261 PolarHBondContact N-O 3.47Å; Q1245-A1261 PolarHBondContact O-N 3.49Å |
| 1246 | W | 86.1 | Confident | 75 | Confident | 51 Ų | 51 | 83.7 Ų | 83.7 | 19% | 0.193 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125 | 172.2 | -74.5 | 106.8 | 0 | 0 | 0 | 110.6 | Q1143 R1145 E1258 I1259 L1260 I1361 | Q1143-W1246 HydrophobicContact CG-CH2 3.71Å; Q1143-W1246 HydrophobicContact CG-CZ2 4.28Å; Q1143-W1246 HydrophobicContact CG-CZ3 4.42Å; Q1143-W1246 VanDerWaalsContact NE2-CZ2 3.27Å; R1145-W1246 HydrophobicContact CB-CH2 3.96Å; R1145-W1246 HydrophobicContact CB-CZ3 4.15Å; R1145-W1246 HydrophobicContact CG-CE3 4.24Å; R1145-W1246 HydrophobicContact CG-CH2 3.67Å; R1145-W1246 HydrophobicContact CG-CZ2 4.41Å; R1145-W1246 HydrophobicContact CG-CZ3 3.58Å; W1246-E1258 HydrophobicContact CE3-CB 3.71Å; W1246-E1258 HydrophobicContact CZ3-CB 4.23Å; W1246-E1258 WeakPolarHBondContact CZ3-O 3.4Å; W1246-I1259 CarbonylContact C-O 3.44Å; W1246-I1259 WeakPolarHBondContact CA-O 3.42Å; W1246-I1259 VanDerWaalsContact CE3-C 3.45Å; W1246-L1260 HydrophobicContact CD2-CB 3.91Å; W1246-L1260 HydrophobicContact CD2-CD1 4.15Å; W1246-L1260 HydrophobicContact CE3-CB 3.76Å; W1246-L1260 HydrophobicContact CG-CD1 4.16Å; W1246-L1260 HydrophobicContact CH2-CB 3.84Å; W1246-L1260 HydrophobicContact CZ2-CB 3.97Å; W1246-L1260 HydrophobicContact CZ2-CD2 4.06Å; W1246-L1260 HydrophobicContact CZ2-CG 4.49Å; W1246-L1260 HydrophobicContact CZ3-CB 3.71Å; W1246-I1361 PolarHBondContact NE1-O 3.37Å |
| 1247 | Y | 88.6 | Confident | 75.9 | Confident | 58 Ų | 58 | 82.4 Ų | 82.4 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.5 | 174.1 | -57.5 | -84.1 | 0 | 0 | 0 | 110.2 | L1226 I1228 Q1245 E1258 I1259 | L1226-Y1247 HydrophobicContact CD1-CG 4.08Å; I1228-Y1247 HydrophobicContact CD1-CD1 4.07Å; I1228-Y1247 HydrophobicContact CD1-CD2 3.54Å; I1228-Y1247 HydrophobicContact CD1-CE1 4.36Å; I1228-Y1247 HydrophobicContact CD1-CE2 3.83Å; I1228-Y1247 HydrophobicContact CD1-CG 3.66Å; I1228-Y1247 HydrophobicContact CG1-CD1 4.1Å; I1228-Y1247 HydrophobicContact CG1-CD2 4.44Å; I1228-Y1247 HydrophobicContact CG1-CE1 4.33Å; I1228-Y1247 HydrophobicContact CG1-CG 4.16Å; I1228-Y1247 HydrophobicContact CG2-CE1 4.17Å; I1228-Y1247 HydrophobicContact CG2-CE2 4.48Å; Q1245-Y1247 HydrophobicContact CB-CE1 4.5Å; Q1245-Y1247 HydrophobicContact CB-CE2 3.79Å; Q1245-Y1247 VanDerWaalsContact O-CD2 3.27Å; Q1245-Y1247 WeakPolarHBondContact O-CD2 3.44Å; Q1245-Y1247 WeakPolarHBondContact O-CE2 3.34Å; Q1245-Y1247 PolarHBondContact OE1-OH 3.3Å; Q1245-Y1247 VanDerWaalsContact OE1-OH 3.12Å; Y1247-E1258 CarbonylContact O-C 3.44Å; Y1247-E1258 VanDerWaalsContact O-CA 3.22Å; Y1247-E1258 WeakPolarHBondContact O-CA 3.03Å; Y1247-I1259 PolarHBondContact N-O 3.39Å; Y1247-I1259 PolarHBondContact O-N 3.34Å |
| 1248 | T | 89.4 | Confident | 77 | Confident | 53 Ų | 53 | 76.8 Ų | 76.8 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 132.9 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | K1255 | T1248-K1255 HydrophobicContact CG2-CD 4.42Å; T1248-K1255 HydrophobicContact CG2-CG 4.04Å |
| 1249 | I | 90.7 | Very high | 78.4 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 134.1 | 175 | -51.8 | 179.8 | 0 | 0 | 0 | 108.2 | L1211 L1226 G1256 G1257 I1259 | L1211-I1249 HydrophobicContact CB-CD1 4.25Å; L1211-I1249 HydrophobicContact CD2-CD1 3.64Å; L1211-I1249 HydrophobicContact CG-CD1 4.49Å; L1226-I1249 HydrophobicContact CD2-CB 4.49Å; L1226-I1249 HydrophobicContact CD2-CG1 3.93Å; I1249-G1256 PolarHBondContact O-N 2.84Å; I1249-G1257 WeakPolarHBondContact CB-O 3.08Å; I1249-G1257 PolarHBondContact N-O 3.42Å; I1249-I1259 HydrophobicContact CD1-CB 4.24Å; I1249-I1259 HydrophobicContact CG1-CB 4.49Å; I1249-I1259 HydrophobicContact CG1-CG2 4.43Å |
| 1250 | E | 86.9 | Confident | 80.1 | Confident | 117 Ų | 117 | 67.5 Ų | 67.5 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.6 | 179.4 | -63.7 | -169.5 | 168 | 0 | 0 | 112.9 | G1224 R1225 K1254 | G1224-E1250 VanDerWaalsContact CA-O 3.27Å; G1224-E1250 WeakPolarHBondContact CA-O 3.33Å; R1225-E1250 PolarHBondContact N-O 3.46Å; R1225-E1250 PolarHBondContact O-N 3.1Å; E1250-K1254 WeakPolarHBondContact CA-O 3.18Å |
| 1251 | K | 83.9 | Confident | 81.8 | Confident | 43 Ų | 43 | 61 Ų | 61 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 116.5 | 169.6 | -176.7 | 176.2 | 178 | 170.5 | 0 | 108.2 | L1148 H1221 F1222 R1253 K1254 | L1148-K1251 HydrophobicContact CD1-CB 4.41Å; L1148-K1251 HydrophobicContact CD1-CD 3.58Å; H1221-K1251 PolarHBondContact NE2-NZ 2.61Å; H1221-K1251 VanDerWaalsContact NE2-NZ 3.13Å; F1222-K1251 HydrophobicContact CD1-CG 4.43Å; F1222-K1251 HydrophobicContact CE1-CG 4.31Å; F1222-K1251 WeakPolarHBondContact O-CE 3.44Å; F1222-K1251 PolarHBondContact O-NZ 3.36Å; K1251-R1253 VanDerWaalsContact C-N 3.31Å; K1251-R1253 PolarHBondContact O-N 3.42Å; K1251-K1254 PolarHBondContact N-O 2.77Å; K1251-K1254 PolarHBondContact O-N 2.93Å |
| 1252 | N | 74 | Confident | 83.4 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 54% | 0.535 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 43.1 | -179.8 | -57.3 | -20.9 | 0 | 0 | 0 | 114.1 | K1254 | N1252-K1254 PolarHBondContact O-N 3.05Š|
| 1253 | R | 70.4 | Confident | 84.6 | Confident | 243 Ų | 243 | 56.8 Ų | 56.8 | 92% | 0.917 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 16.8 | -175.9 | -51.4 | 177.8 | 178.8 | 166.4 | 0.1 | 115.2 | K1251 | K1251-R1253 VanDerWaalsContact C-N 3.31Å; K1251-R1253 PolarHBondContact O-N 3.42Å |
| 1254 | K | 73.5 | Confident | 85.4 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 156.1 | 171.6 | -64.1 | -175.6 | 174.7 | -174.7 | 0 | 110.5 | E1250 K1251 N1252 G1256 E1514 | E1250-K1254 WeakPolarHBondContact CA-O 3.18Å; K1251-K1254 PolarHBondContact N-O 2.77Å; K1251-K1254 PolarHBondContact O-N 2.93Å; N1252-K1254 PolarHBondContact O-N 3.05Å; K1254-G1256 PolarHBondContact O-N 2.87Å; K1254-E1514 IonicContact NZ-OE1 3.86Å; K1254-E1514 PolarHBondContact NZ-OE1 3.09Å; K1254-E1514 IonicContact NZ-OE2 2.94Å; K1254-E1514 PolarHBondContact NZ-OE2 2.9Å |
| 1255 | K | 75.9 | Confident | 85.7 | Confident | 165 Ų | 165 | 53.2 Ų | 53.2 | 72% | 0.717 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 120.1 | 176.2 | -67.5 | -170.2 | 175.9 | -172.8 | 0 | 110.3 | T1248 | T1248-K1255 HydrophobicContact CG2-CD 4.42Å; T1248-K1255 HydrophobicContact CG2-CG 4.04Å |
| 1256 | G | 80.5 | Confident | 86 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 6.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1249 K1254 | I1249-G1256 PolarHBondContact O-N 2.84Å; K1254-G1256 PolarHBondContact O-N 2.87Å |
| 1257 | G | 85.9 | Confident | 86.3 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.6 | -172.5 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1145 S1146 I1249 | R1145-G1257 WeakPolarHBondContact O-CA 3.32Å; S1146-G1257 WeakPolarHBondContact O-CA 3.33Å; I1249-G1257 WeakPolarHBondContact CB-O 3.08Å; I1249-G1257 PolarHBondContact N-O 3.42Å |
| 1258 | E | 89.6 | Confident | 86.1 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 20% | 0.201 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.4 | 175.7 | -58.3 | -178.1 | 125.8 | 0 | 0 | 110.3 | A1144 R1145 W1246 Y1247 | A1144-E1258 CarbonylContact C-O 3.51Å; A1144-E1258 WeakPolarHBondContact CA-O 3.24Å; A1144-E1258 VanDerWaalsContact CB-O 3.27Å; A1144-E1258 WeakPolarHBondContact CB-O 3.45Å; R1145-E1258 HydrophobicContact CG-CB 4.17Å; R1145-E1258 IonicContact CZ-OE2 2.66Å; R1145-E1258 PolarHBondContact N-O 3.29Å; R1145-E1258 IonicContact NE-OE2 3.24Å; R1145-E1258 PolarHBondContact NE-OE2 3.12Å; R1145-E1258 IonicContact NH2-OE2 2.79Å; R1145-E1258 PolarHBondContact NH2-OE2 3.45Å; R1145-E1258 PolarHBondContact O-N 3.02Å; W1246-E1258 HydrophobicContact CE3-CB 3.71Å; W1246-E1258 HydrophobicContact CZ3-CB 4.23Å; W1246-E1258 WeakPolarHBondContact CZ3-O 3.4Å; Y1247-E1258 CarbonylContact O-C 3.44Å; Y1247-E1258 VanDerWaalsContact O-CA 3.22Å; Y1247-E1258 WeakPolarHBondContact O-CA 3.03Å |
| 1259 | I | 91.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.9 | 177 | -167.1 | 172.6 | 0 | 0 | 0 | 110.5 | I1141 Q1143 A1144 V1160 I1209 L1226 W1246 Y1247 I1249 A1261 | I1141-I1259 HydrophobicContact CG2-CD1 4.09Å; Q1143-I1259 WeakPolarHBondContact O-CG1 3.42Å; A1144-I1259 HydrophobicContact CB-CB 4.49Å; A1144-I1259 HydrophobicContact CB-CG1 4.45Å; V1160-I1259 HydrophobicContact CG1-CD1 4.37Å; V1160-I1259 HydrophobicContact CG2-CD1 3.75Å; I1209-I1259 HydrophobicContact CG2-CD1 4.05Å; L1226-I1259 HydrophobicContact CD1-CG2 4.01Å; L1226-I1259 HydrophobicContact CD2-CG2 4.16Å; W1246-I1259 CarbonylContact C-O 3.44Å; W1246-I1259 WeakPolarHBondContact CA-O 3.42Å; W1246-I1259 VanDerWaalsContact CE3-C 3.45Å; Y1247-I1259 PolarHBondContact N-O 3.39Å; Y1247-I1259 PolarHBondContact O-N 3.34Å; I1249-I1259 HydrophobicContact CD1-CB 4.24Å; I1249-I1259 HydrophobicContact CG1-CB 4.49Å; I1249-I1259 HydrophobicContact CG1-CG2 4.43Å; I1259-A1261 HydrophobicContact CG1-CB 4.46Å |
| 1260 | L | 90.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 107.5 | 174 | -176 | 59.5 | 0 | 0 | 0 | 108.7 | F1142 Q1143 L1244 Q1245 W1246 Y1362 | F1142-L1260 WeakPolarHBondContact CB-O 3.21Å; F1142-L1260 HydrophobicContact CD1-CD2 3.85Å; F1142-L1260 HydrophobicContact CD1-CG 4.49Å; F1142-L1260 PolarHBondContact N-O 2.91Å; F1142-L1260 VanDerWaalsContact N-O 3.08Å; Q1143-L1260 HydrophobicContact CG-CB 3.75Å; Q1143-L1260 HydrophobicContact CG-CD2 3.96Å; Q1143-L1260 HydrophobicContact CG-CG 4.43Å; Q1143-L1260 PolarHBondContact N-O 3.28Å; Q1143-L1260 PolarHBondContact O-N 2.89Å; L1244-L1260 HydrophobicContact CB-CD1 3.62Å; L1244-L1260 HydrophobicContact CB-CD2 4.47Å; L1244-L1260 HydrophobicContact CB-CG 3.9Å; L1244-L1260 HydrophobicContact CD1-CD2 4.42Å; L1244-L1260 HydrophobicContact CD1-CG 4.37Å; Q1245-L1260 VanDerWaalsContact C-CD1 3.45Å; Q1245-L1260 WeakPolarHBondContact O-CA 3.44Å; W1246-L1260 HydrophobicContact CD2-CB 3.91Å; W1246-L1260 HydrophobicContact CD2-CD1 4.15Å; W1246-L1260 HydrophobicContact CE3-CB 3.76Å; W1246-L1260 HydrophobicContact CG-CD1 4.16Å; W1246-L1260 HydrophobicContact CH2-CB 3.84Å; W1246-L1260 HydrophobicContact CZ2-CB 3.97Å; W1246-L1260 HydrophobicContact CZ2-CD2 4.06Å; W1246-L1260 HydrophobicContact CZ2-CG 4.49Å; W1246-L1260 HydrophobicContact CZ3-CB 3.71Å; L1260-Y1362 HydrophobicContact CD1-CD1 4.04Å; L1260-Y1362 HydrophobicContact CD1-CE1 4.06Å; L1260-Y1362 HydrophobicContact CD2-CD1 3.65Å; L1260-Y1362 HydrophobicContact CD2-CE1 4.38Å; L1260-Y1362 HydrophobicContact CG-CD1 4.45Å |
| 1261 | A | 92.7 | Very high | 84 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 167.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1140 I1141 Q1245 I1259 F1263 | Y1140-A1261 CarbonylContact O-C 3.57Å; Y1140-A1261 WeakPolarHBondContact O-CA 3.4Å; Y1140-A1261 WeakPolarHBondContact O-CB 3.25Å; I1141-A1261 HydrophobicContact CD1-CB 3.99Å; Q1245-A1261 PolarHBondContact N-O 3.47Å; Q1245-A1261 PolarHBondContact O-N 3.49Å; I1259-A1261 HydrophobicContact CG1-CB 4.46Å; A1261-F1263 HydrophobicContact CB-CE2 3.57Å; A1261-F1263 HydrophobicContact CB-CZ 3.77Å |
| 1262 | A | 91.3 | Very high | 83.5 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 152.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y1140 L1244 | Y1140-A1262 HydrophobicContact CD2-CB 3.95Å; Y1140-A1262 WeakPolarHBondContact CD2-O 3.38Å; Y1140-A1262 PolarHBondContact N-O 3.41Å; Y1140-A1262 PolarHBondContact O-N 3.13Å; L1244-A1262 HydrophobicContact CD2-CB 4.01Å |
| 1263 | F | 92.4 | Very high | 83.6 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132 | -173 | -58.4 | -93.1 | 0 | 0 | 0 | 110.5 | R1138 A1139 I1141 V1207 I1209 I1228 P1230 A1231 A1261 | R1138-F1263 WeakPolarHBondContact O-CA 3.18Å; A1139-F1263 HydrophobicContact CB-CD1 3.51Å; A1139-F1263 HydrophobicContact CB-CE1 3.49Å; A1139-F1263 VanDerWaalsContact CB-CE1 3.49Å; I1141-F1263 HydrophobicContact CD1-CE1 3.91Å; I1141-F1263 HydrophobicContact CD1-CZ 3.75Å; V1207-F1263 HydrophobicContact CB-CD1 4.23Å; V1207-F1263 HydrophobicContact CB-CE1 4.47Å; V1207-F1263 HydrophobicContact CG1-CD1 3.96Å; V1207-F1263 HydrophobicContact CG1-CE1 3.9Å; V1207-F1263 HydrophobicContact CG2-CD1 4.07Å; V1207-F1263 HydrophobicContact CG2-CG 4.44Å; I1209-F1263 HydrophobicContact CD1-CE1 3.64Å; I1209-F1263 HydrophobicContact CD1-CZ 3.65Å; I1209-F1263 HydrophobicContact CG1-CE1 4.32Å; I1209-F1263 HydrophobicContact CG1-CZ 3.92Å; I1228-F1263 HydrophobicContact CB-CD2 4.31Å; I1228-F1263 HydrophobicContact CB-CE2 4.29Å; I1228-F1263 HydrophobicContact CD1-CD2 4.12Å; I1228-F1263 HydrophobicContact CD1-CE2 3.34Å; I1228-F1263 HydrophobicContact CD1-CZ 3.9Å; I1228-F1263 HydrophobicContact CG1-CE2 4.41Å; I1228-F1263 HydrophobicContact CG2-CD2 3.66Å; I1228-F1263 HydrophobicContact CG2-CE2 4.01Å; I1228-F1263 HydrophobicContact CG2-CG 4.46Å; P1230-F1263 HydrophobicContact CB-CB 3.9Å; A1231-F1263 PolarHBondContact N-O 2.92Å; A1261-F1263 HydrophobicContact CB-CE2 3.57Å; A1261-F1263 HydrophobicContact CB-CZ 3.77Å |
| 1264 | E | 90.1 | Very high | 83.9 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 121 | -175 | -171.9 | -178.8 | -161.2 | 0 | 0 | 110.9 | L1137 R1138 Y1140 A1231 R1233 N1242 I1266 | L1137-E1264 CarbonylContact C-O 3.58Å; L1137-E1264 WeakPolarHBondContact CA-O 3.47Å; R1138-E1264 PolarHBondContact N-O 3.03Å; R1138-E1264 PolarHBondContact O-N 3.17Å; Y1140-E1264 HydrophobicContact CE2-CB 4.01Å; Y1140-E1264 PolarHBondContact OH-OE2 2.7Å; A1231-E1264 CarbonylContact O-C 3.26Å; A1231-E1264 WeakPolarHBondContact O-CA 3.5Å; R1233-E1264 WeakPolarHBondContact CD-OE1 3.33Å; R1233-E1264 IonicContact CZ-OE1 3.17Å; R1233-E1264 IonicContact NE-OE1 3.83Å; R1233-E1264 IonicContact NH1-OE1 3.94Å; R1233-E1264 PolarHBondContact NH1-OE1 2.95Å; N1242-E1264 WeakPolarHBondContact ND2-CG 3.41Å; N1242-E1264 PolarHBondContact ND2-OE1 3.29Å; N1242-E1264 PolarHBondContact ND2-OE2 3.38Å; E1264-I1266 HydrophobicContact CG-CD1 4.12Å; E1264-I1266 HydrophobicContact CG-CG1 3.84Å |
| 1265 | L | 92.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.4 | -179.3 | -178.5 | 68 | 0 | 0 | 0 | 109.6 | W1135 L1137 F1164 M1193 I1200 P1230 A1231 V1232 R1233 | W1135-L1265 HydrophobicContact CB-CD1 3.93Å; W1135-L1265 HydrophobicContact CD2-CG 4.34Å; W1135-L1265 HydrophobicContact CE3-CD1 4.18Å; W1135-L1265 HydrophobicContact CE3-CD2 4.11Å; W1135-L1265 HydrophobicContact CE3-CG 3.65Å; W1135-L1265 HydrophobicContact CG-CD1 4.49Å; W1135-L1265 HydrophobicContact CZ3-CD2 4.36Å; W1135-L1265 HydrophobicContact CZ3-CG 4.14Å; L1137-L1265 HydrophobicContact CB-CD1 3.98Å; L1137-L1265 HydrophobicContact CD1-CB 4.21Å; L1137-L1265 HydrophobicContact CD1-CD1 4.43Å; F1164-L1265 HydrophobicContact CE1-CD1 3.83Å; F1164-L1265 HydrophobicContact CZ-CD1 3.88Å; F1164-L1265 HydrophobicContact CZ-CD2 4.02Å; M1193-L1265 HydrophobicContact CE-CD1 4.28Å; M1193-L1265 HydrophobicContact CE-CD2 4.12Å; I1200-L1265 HydrophobicContact CG2-CD2 3.92Å; P1230-L1265 HydrophobicContact CB-CB 4.13Å; P1230-L1265 HydrophobicContact CG-CB 4.18Å; P1230-L1265 HydrophobicContact CG-CD2 4.4Å; A1231-L1265 PolarHBondContact O-N 3.48Å; V1232-L1265 CarbonylContact C-O 3.42Å; V1232-L1265 WeakPolarHBondContact CA-O 3.26Å; V1232-L1265 HydrophobicContact CG2-CB 4.4Å; V1232-L1265 HydrophobicContact CG2-CD2 4.15Å; R1233-L1265 PolarHBondContact N-O 3.1Å |
| 1266 | I | 90.1 | Very high | 84 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.4 | -167.9 | -48.4 | 176.4 | 0 | 0 | 0 | 110.1 | W1135 H1136 R1233 T1236 E1264 L1268 P1274 | W1135-I1266 CarbonylContact C-O 3.15Å; W1135-I1266 VanDerWaalsContact CA-O 3.32Å; W1135-I1266 WeakPolarHBondContact CA-O 3.39Å; H1136-I1266 HydrophobicContact CB-CB 4.47Å; H1136-I1266 PolarHBondContact N-O 3.37Å; H1136-I1266 PolarHBondContact O-N 2.79Å; R1233-I1266 HydrophobicContact CB-CG2 4.49Å; T1236-I1266 HydrophobicContact CG2-CG2 4.22Å; E1264-I1266 HydrophobicContact CG-CD1 4.12Å; E1264-I1266 HydrophobicContact CG-CG1 3.84Å; I1266-L1268 HydrophobicContact CG2-CD2 4.26Å; I1266-P1274 HydrophobicContact CD1-CG 3.76Å |
| 1267 | L | 91.3 | Very high | 84.1 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 130.4 | 173.6 | -176 | 66 | 0 | 0 | 0 | 111.1 | H1133 W1135 P1197 R1233 L1234 | H1133-L1267 HydrophobicContact CB-CD1 3.81Å; W1135-L1267 HydrophobicContact CD2-CB 4.44Å; W1135-L1267 HydrophobicContact CD2-CD1 3.99Å; W1135-L1267 HydrophobicContact CE3-CB 3.96Å; W1135-L1267 HydrophobicContact CE3-CD1 4.35Å; W1135-L1267 HydrophobicContact CH2-CB 4.12Å; W1135-L1267 HydrophobicContact CH2-CD1 4.25Å; W1135-L1267 HydrophobicContact CZ2-CD1 3.82Å; W1135-L1267 HydrophobicContact CZ3-CB 3.79Å; W1135-L1267 HydrophobicContact CZ3-CD1 4.48Å; P1197-L1267 HydrophobicContact CB-CD2 3.88Å; P1197-L1267 HydrophobicContact CG-CD1 4.19Å; P1197-L1267 HydrophobicContact CG-CD2 3.83Å; R1233-L1267 PolarHBondContact O-N 3.35Å; L1234-L1267 HydrophobicContact CD2-CD2 4.44Å |
| 1268 | L | 84 | Confident | 83.9 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | trans | -115.1 | 3 | -173.7 | -64.8 | -168 | 0 | 0 | 0 | 115.6 | I1134 H1136 T1236 I1266 G1270 K1271 P1273 | I1134-L1268 HydrophobicContact CG2-CB 4.41Å; I1134-L1268 WeakPolarHBondContact O-CB 2.92Å; I1134-L1268 PolarHBondContact O-N 2.8Å; H1136-L1268 HydrophobicContact CB-CD1 3.57Å; H1136-L1268 HydrophobicContact CB-CD2 4.18Å; H1136-L1268 HydrophobicContact CB-CG 3.77Å; T1236-L1268 HydrophobicContact CG2-CD2 4.34Å; I1266-L1268 HydrophobicContact CG2-CD2 4.26Å; L1268-G1270 CarbonylContact O-C 3.59Å; L1268-G1270 PolarHBondContact O-N 2.91Å; L1268-K1271 PolarHBondContact O-N 2.88Å; L1268-K1271 VanDerWaalsContact O-O 3.06Å; L1268-P1273 HydrophobicContact CD1-CB 3.91Å; L1268-P1273 HydrophobicContact CD1-CG 4.47Å; L1268-P1273 HydrophobicContact CD2-CB 4.09Å | ||
| 1269 | D | 75.9 | Confident | 83.4 | Confident | 69 Ų | 69 | 43.3 Ų | 43.3 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -36.6 | 87.6 | -171.8 | -65.7 | -21.3 | 0 | 0 | 0 | 116.7 | H1133 I1134 K1271 | H1133-D1269 WeakPolarHBondContact CA-OD1 3.5Å; H1133-D1269 IonicContact CE1-OD2 2.78Å; H1133-D1269 PolarHBondContact CE1-OD2 2.85Å; H1133-D1269 IonicContact CG-OD1 2.79Å; H1133-D1269 IonicContact CG-OD2 3.37Å; H1133-D1269 VanDerWaalsContact ND1-CG 3.3Å; H1133-D1269 IonicContact ND1-OD1 3.09Å; H1133-D1269 PolarHBondContact ND1-OD1 2.77Å; H1133-D1269 IonicContact ND1-OD2 3.85Å; H1133-D1269 PolarHBondContact ND1-OD2 2.83Å; I1134-D1269 PolarHBondContact N-OD1 2.89Å; D1269-K1271 PolarHBondContact O-N 2.89Å |
| 1270 | G | 70.7 | Confident | 82.5 | Confident | 90 Ų | 90 | 50 Ų | 50 | 93% | 0.928 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -4.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1268 | L1268-G1270 CarbonylContact O-C 3.59Å; L1268-G1270 PolarHBondContact O-N 2.91Å |
| 1271 | K | 77.1 | Confident | 81.8 | Confident | 102 Ų | 102 | 53.5 Ų | 53.5 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -88.7 | 150.4 | 174.3 | -62.3 | -175.9 | 179.9 | 177.2 | 0 | 110.7 | D1235 T1236 L1268 D1269 | D1235-K1271 IonicContact OD1-NZ 3.7Å; D1235-K1271 PolarHBondContact OD1-NZ 2.73Å; T1236-K1271 HydrophobicContact CG2-CB 4.26Å; T1236-K1271 HydrophobicContact CG2-CD 3.97Å; T1236-K1271 WeakPolarHBondContact OG1-CD 3.36Å; L1268-K1271 PolarHBondContact O-N 2.88Å; L1268-K1271 VanDerWaalsContact O-O 3.06Å; D1269-K1271 PolarHBondContact O-N 2.89Å |
| 1272 | S | 74.7 | Confident | 80.7 | Confident | 98 Ų | 98 | 57 Ų | 57 | 69% | 0.685 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 141.4 | 170.7 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1273 | P | 74.9 | Confident | 80.3 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 153.8 | 171.3 | 23.7 | -31.9 | 0 | 0 | 0 | 110.9 | L1268 | L1268-P1273 HydrophobicContact CD1-CB 3.91Å; L1268-P1273 HydrophobicContact CD1-CG 4.47Å; L1268-P1273 HydrophobicContact CD2-CB 4.09Å |
| 1274 | P | 76.8 | Confident | 80 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 150.7 | 170.8 | -18.1 | 28 | 0 | 0 | 0 | 109.8 | R1138 I1266 | R1138-P1274 PolarHBondContact NH2-O 3.5Å; I1266-P1274 HydrophobicContact CD1-CG 3.76Å |
| 1275 | P | 78.1 | Confident | 79.8 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 71% | 0.714 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 138.3 | 178.4 | 22.7 | -32.3 | 0 | 0 | 0 | 109.5 | R1138 | R1138-P1275 PolarHBondContact NH1-O 2.99Å; R1138-P1275 PolarHBondContact NH2-O 3.25Å |
| 1276 | P | 73.5 | Confident | 79.6 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 153.2 | 178.2 | 23.5 | -31.2 | 0 | 0 | 0 | 110.4 | F1284 | P1276-F1284 HydrophobicContact CB-CD1 3.98Å; P1276-F1284 HydrophobicContact CB-CE1 3.47Å; P1276-F1284 VanDerWaalsContact CB-CE1 3.47Å; P1276-F1284 HydrophobicContact CB-CZ 4.39Å; P1276-F1284 HydrophobicContact CG-CE1 4.36Å |
| 1277 | P | 81.6 | Confident | 79.5 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 169.7 | 171.3 | -19.5 | 31.4 | 0 | 0 | 0 | 112.4 | T1185 F1284 N1285 P1287 | T1185-P1277 HydrophobicContact CG2-CG 4.17Å; P1277-F1284 HydrophobicContact CB-CB 4.46Å; P1277-F1284 HydrophobicContact CG-CB 4.48Å; P1277-N1285 WeakPolarHBondContact CB-O 3.45Å; P1277-P1287 HydrophobicContact CB-CG 4.13Å; P1277-P1287 HydrophobicContact CG-CG 3.99Å |
| 1278 | T | 82.5 | Confident | 78.9 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -59 | 146.7 | 172.6 | 56 | 0 | 0 | 0 | 0 | 110.4 | N1285 | T1278-N1285 VanDerWaalsContact O-CB 3.31Å; T1278-N1285 WeakPolarHBondContact O-CB 3.44Å; T1278-N1285 PolarHBondContact O-N 2.58Å; T1278-N1285 WeakPolarHBondContact OG1-CB 3.01Å; T1278-N1285 PolarHBondContact OG1-ND2 2.99Å |
| 1279 | R | 79.2 | Confident | 78.5 | Confident | 133 Ų | 133 | 69.6 Ų | 69.6 | 50% | 0.502 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 144.5 | -179.5 | -71.9 | -174.8 | 179.6 | 173.6 | 5.9 | 111.7 | L1283 F1284 | R1279-L1283 CarbonylContact C-O 3.59Å; R1279-L1283 VanDerWaalsContact CA-O 3.24Å; R1279-L1283 WeakPolarHBondContact CA-O 3.38Å; R1279-F1284 HydrophobicContact CG-CD1 3.61Å; R1279-F1284 HydrophobicContact CG-CE1 3.72Å; R1279-F1284 HydrophobicContact CG-CG 4.35Å |
| 1280 | R | 73.3 | Confident | 78.7 | Confident | 142 Ų | 142 | 67.3 Ų | 67.3 | 54% | 0.536 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 97.6 | 165.4 | -172.5 | -171.3 | -50.9 | -174.1 | 7.1 | 108 | D1183 T1282 L1283 N1285 | D1183-R1280 IonicContact OD2-NH2 2.82Å; D1183-R1280 PolarHBondContact OD2-NH2 2.89Å; R1280-T1282 PolarHBondContact O-N 3.34Å; R1280-L1283 PolarHBondContact N-O 2.84Å; R1280-L1283 PolarHBondContact O-N 2.86Å; R1280-L1283 VanDerWaalsContact O-N 3.14Å; R1280-N1285 PolarHBondContact NE-OD1 2.8Å; R1280-N1285 PolarHBondContact NH2-OD1 3.47Å |
| 1281 | G | 75.4 | Confident | 79.2 | Confident | 73 Ų | 73 | 65 Ų | 65 | 75% | 0.753 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -118.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1282 | T | 70 | Confident | 79.4 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -8.5 | 177.4 | 51.1 | 0 | 0 | 0 | 0 | 114 | P1024 R1280 | P1024-T1282 HydrophobicContact CB-CG2 4.46Å; R1280-T1282 PolarHBondContact O-N 3.34Å |
| 1283 | L | 82.4 | Confident | 79.7 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 28% | 0.277 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 149.4 | -175.7 | -56.6 | 173.8 | 0 | 0 | 0 | 111.3 | Q1172 E1184 R1279 R1280 | Q1172-L1283 HydrophobicContact CB-CD1 4.36Å; E1184-L1283 HydrophobicContact CG-CD1 4.36Å; R1279-L1283 CarbonylContact C-O 3.59Å; R1279-L1283 VanDerWaalsContact CA-O 3.24Å; R1279-L1283 WeakPolarHBondContact CA-O 3.38Å; R1280-L1283 PolarHBondContact N-O 2.84Å; R1280-L1283 PolarHBondContact O-N 2.86Å; R1280-L1283 VanDerWaalsContact O-N 3.14Å |
| 1284 | F | 85.4 | Confident | 80.3 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.022 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131 | 172.2 | -62.2 | -88.8 | 0 | 0 | 0 | 110.1 | E1184 T1185 I1187 P1276 P1277 R1279 | E1184-F1284 CarbonylContact C-O 3.58Å; E1184-F1284 WeakPolarHBondContact CA-O 3.4Å; T1185-F1284 PolarHBondContact N-O 2.77Å; I1187-F1284 HydrophobicContact CD1-CB 4.39Å; I1187-F1284 HydrophobicContact CD1-CD1 3.88Å; I1187-F1284 HydrophobicContact CD1-CD2 3.7Å; I1187-F1284 HydrophobicContact CD1-CE1 3.94Å; I1187-F1284 HydrophobicContact CD1-CE2 3.79Å; I1187-F1284 HydrophobicContact CD1-CG 3.72Å; I1187-F1284 HydrophobicContact CD1-CZ 3.87Å; I1187-F1284 HydrophobicContact CG1-CD2 4.22Å; I1187-F1284 HydrophobicContact CG1-CE2 4.49Å; I1187-F1284 HydrophobicContact CG1-CG 4.49Å; P1276-F1284 HydrophobicContact CB-CD1 3.98Å; P1276-F1284 HydrophobicContact CB-CE1 3.47Å; P1276-F1284 VanDerWaalsContact CB-CE1 3.47Å; P1276-F1284 HydrophobicContact CB-CZ 4.39Å; P1276-F1284 HydrophobicContact CG-CE1 4.36Å; P1277-F1284 HydrophobicContact CB-CB 4.46Å; P1277-F1284 HydrophobicContact CG-CB 4.48Å; R1279-F1284 HydrophobicContact CG-CD1 3.61Å; R1279-F1284 HydrophobicContact CG-CE1 3.72Å; R1279-F1284 HydrophobicContact CG-CG 4.35Å |
| 1285 | N | 87.2 | Confident | 80.9 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 150.9 | 174.3 | -75.9 | -28.6 | 0 | 0 | 0 | 110.9 | D1183 T1185 P1277 T1278 R1280 | D1183-N1285 WeakPolarHBondContact O-CA 3.29Å; T1185-N1285 PolarHBondContact OG1-O 3.23Å; P1277-N1285 WeakPolarHBondContact CB-O 3.45Å; T1278-N1285 VanDerWaalsContact O-CB 3.31Å; T1278-N1285 WeakPolarHBondContact O-CB 3.44Å; T1278-N1285 PolarHBondContact O-N 2.58Å; T1278-N1285 WeakPolarHBondContact OG1-CB 3.01Å; T1278-N1285 PolarHBondContact OG1-ND2 2.99Å; R1280-N1285 PolarHBondContact NE-OD1 2.8Å; R1280-N1285 PolarHBondContact NH2-OD1 3.47Å |
| 1286 | V | 88.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 134.4 | 163.8 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | Y1140 F1142 D1183 T1185 I1290 R1291 | Y1140-V1286 HydrophobicContact CD1-CG1 4.45Å; F1142-V1286 HydrophobicContact CD2-CB 4.42Å; F1142-V1286 HydrophobicContact CD2-CG2 4.16Å; D1183-V1286 PolarHBondContact O-N 3.38Å; D1183-V1286 WeakPolarHBondContact OD1-CB 3.18Å; D1183-V1286 PolarHBondContact OD1-N 3.02Å; T1185-V1286 WeakPolarHBondContact OG1-CA 3.39Å; V1286-I1290 HydrophobicContact CG1-CB 4Å; V1286-I1290 HydrophobicContact CG1-CG2 3.87Å; V1286-R1291 HydrophobicContact CB-CG 4.1Å; V1286-R1291 HydrophobicContact CG1-CG 4.01Å; V1286-R1291 VanDerWaalsContact O-CZ 3.23Å; V1286-R1291 PolarHBondContact O-NE 2.82Å |
| 1287 | P | 86.8 | Confident | 82.4 | Confident | 32 Ų | 32 | 57 Ų | 57 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 143.5 | 179.5 | -25.9 | 33.8 | 0 | 0 | 0 | 114 | Y1140 P1277 G1289 I1290 R1291 | Y1140-P1287 HydrophobicContact CD1-CG 4.42Å; Y1140-P1287 HydrophobicContact CE1-CG 3.88Å; P1277-P1287 HydrophobicContact CB-CG 4.13Å; P1277-P1287 HydrophobicContact CG-CG 3.99Å; P1287-G1289 PolarHBondContact O-N 3.46Å; P1287-G1289 VanDerWaalsContact O-N 3.11Å; P1287-I1290 HydrophobicContact CB-CD1 4.4Å; P1287-I1290 HydrophobicContact CB-CG1 4.45Å; P1287-I1290 HydrophobicContact CG-CD1 4.12Å; P1287-I1290 PolarHBondContact O-N 3.48Å; P1287-R1291 PolarHBondContact O-N 2.85Å |
| 1288 | E | 78.6 | Confident | 83 | Confident | 133 Ų | 133 | 56.2 Ų | 56.2 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -29.9 | 179.7 | -66.7 | -61.4 | 153.2 | 0 | 0 | 114.1 | I1290 R1291 | E1288-I1290 VanDerWaalsContact C-N 3.31Å; E1288-I1290 PolarHBondContact O-N 2.65Å; E1288-R1291 IonicContact OE1-CZ 2.89Å; E1288-R1291 IonicContact OE1-NH1 3.71Å; E1288-R1291 PolarHBondContact OE1-NH1 2.91Å |
| 1289 | G | 76.6 | Confident | 83.5 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 75% | 0.753 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1287 | P1287-G1289 PolarHBondContact O-N 3.46Å; P1287-G1289 VanDerWaalsContact O-N 3.11Å |
| 1290 | I | 79.2 | Confident | 84.2 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.108 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -28.9 | 177.1 | -60.5 | 177.8 | 0 | 0 | 0 | 110.2 | Y1140 N1242 L1244 V1286 P1287 E1288 | Y1140-I1290 HydrophobicContact CD1-CD1 4.12Å; Y1140-I1290 HydrophobicContact CD2-CD1 3.91Å; Y1140-I1290 HydrophobicContact CE1-CD1 3.85Å; Y1140-I1290 HydrophobicContact CE2-CD1 3.61Å; Y1140-I1290 HydrophobicContact CG-CD1 4.15Å; N1242-I1290 HydrophobicContact CB-CD1 4.26Å; L1244-I1290 HydrophobicContact CD1-CG2 4.46Å; L1244-I1290 HydrophobicContact CD2-CG2 4.09Å; L1244-I1290 HydrophobicContact CG-CG2 3.87Å; V1286-I1290 HydrophobicContact CG1-CB 4Å; V1286-I1290 HydrophobicContact CG1-CG2 3.87Å; P1287-I1290 HydrophobicContact CB-CD1 4.4Å; P1287-I1290 HydrophobicContact CB-CG1 4.45Å; P1287-I1290 HydrophobicContact CG-CD1 4.12Å; P1287-I1290 PolarHBondContact O-N 3.48Å; E1288-I1290 VanDerWaalsContact C-N 3.31Å; E1288-I1290 PolarHBondContact O-N 2.65Å |
| 1291 | R | 81.9 | Confident | 85.3 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 16% | 0.158 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -59.3 | 142.8 | 176.9 | -78 | 179.9 | 173.8 | 170.5 | -1.7 | 110.8 | F1142 D1183 V1286 P1287 E1288 V1293 | F1142-R1291 HydrophobicContact CE2-CG 4.32Å; D1183-R1291 IonicContact OD1-CZ 3.84Å; D1183-R1291 VanDerWaalsContact OD1-CZ 3.31Å; D1183-R1291 IonicContact OD1-NE 2.9Å; D1183-R1291 PolarHBondContact OD1-NE 2.86Å; D1183-R1291 IonicContact OD1-NH2 2.74Å; D1183-R1291 PolarHBondContact OD1-NH2 2.87Å; D1183-R1291 IonicContact OD2-CZ 3.26Å; D1183-R1291 IonicContact OD2-NE 2.93Å; D1183-R1291 IonicContact OD2-NH2 3.14Å; D1183-R1291 PolarHBondContact OD2-NH2 3.44Å; V1286-R1291 HydrophobicContact CB-CG 4.1Å; V1286-R1291 HydrophobicContact CG1-CG 4.01Å; V1286-R1291 VanDerWaalsContact O-CZ 3.23Å; V1286-R1291 PolarHBondContact O-NE 2.82Å; P1287-R1291 PolarHBondContact O-N 2.85Å; E1288-R1291 IonicContact OE1-CZ 2.89Å; E1288-R1291 IonicContact OE1-NH1 3.71Å; E1288-R1291 PolarHBondContact OE1-NH1 2.91Å; R1291-V1293 PolarHBondContact O-N 2.87Å |
| 1292 | P | 80.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 133.5 | 171 | -23.5 | 34.5 | 0 | 0 | 0 | 111.3 | F1142 L1244 L1294 P1357 Y1362 | F1142-P1292 HydrophobicContact CE1-CG 3.95Å; F1142-P1292 HydrophobicContact CZ-CG 4.13Å; L1244-P1292 HydrophobicContact CD1-CG 4.27Å; P1292-L1294 PolarHBondContact O-N 2.56Å; P1292-P1357 HydrophobicContact CB-CB 3.7Å; P1292-P1357 HydrophobicContact CB-CG 3.75Å; P1292-P1357 HydrophobicContact CG-CG 4.39Å; P1292-Y1362 HydrophobicContact CB-CD2 3.56Å; P1292-Y1362 HydrophobicContact CB-CE2 4.44Å; P1292-Y1362 HydrophobicContact CB-CG 3.76Å; P1292-Y1362 VanDerWaalsContact CG-CB 3.48Å; P1292-Y1362 HydrophobicContact CG-CD1 4.14Å; P1292-Y1362 HydrophobicContact CG-CD2 3.74Å; P1292-Y1362 HydrophobicContact CG-CE2 4.49Å; P1292-Y1362 HydrophobicContact CG-CG 3.52Å |
| 1293 | V | 82.1 | Confident | 87.3 | Confident | 95 Ų | 95 | 32.5 Ų | 32.5 | 58% | 0.576 | 18% | 0.183 | S | C | * | . | P | Polyproline II helix | trans | -68.6 | 118.4 | 176 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | R1291 P1357 K1358 | R1291-V1293 PolarHBondContact O-N 2.87Å; V1293-P1357 CarbonylContact O-C 3.53Å; V1293-P1357 WeakPolarHBondContact O-CA 3.14Å; V1293-K1358 PolarHBondContact O-N 3.32Å |
| 1294 | L | 86.9 | Confident | 87.9 | Confident | 96 Ų | 96 | 30.2 Ų | 30.2 | 50% | 0.503 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 138.2 | 179.9 | -57.1 | -180 | 0 | 0 | 0 | 111 | P1292 L1355 L1356 P1357 | P1292-L1294 PolarHBondContact O-N 2.56Å; L1294-L1355 HydrophobicContact CB-CB 4.22Å; L1294-L1355 HydrophobicContact CD1-CB 4.13Å; L1294-L1356 CarbonylContact C-O 3.57Å; L1294-L1356 WeakPolarHBondContact CA-O 3.44Å; L1294-P1357 HydrophobicContact CD2-CG 3.88Å |
| 1295 | Q | 88.6 | Confident | 88.4 | Confident | 60 Ų | 60 | 30 Ų | 30 | 28% | 0.28 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 146.5 | 169.3 | 67.7 | 179.1 | 4.7 | 0 | 0 | 109.7 | T1297 L1356 K1358 | Q1295-T1297 PolarHBondContact O-N 2.93Å; Q1295-T1297 PolarHBondContact O-OG1 3Å; Q1295-T1297 VanDerWaalsContact O-OG1 3.09Å; Q1295-L1356 PolarHBondContact N-O 3.43Å; Q1295-L1356 PolarHBondContact O-N 3.44Å; Q1295-K1358 HydrophobicContact CB-CB 4.45Å; Q1295-K1358 HydrophobicContact CG-CB 4.2Å |
| 1296 | R | 91.9 | Very high | 88.7 | Confident | 36 Ų | 36 | 29 Ų | 29 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 120 | 174.7 | -164.4 | 178.1 | 168.1 | -149.1 | 6.7 | 109.1 | D1353 L1355 L1532 P1533 P1536 | R1296-D1353 VanDerWaalsContact CG-OD1 3.26Å; R1296-D1353 WeakPolarHBondContact CG-OD1 3.34Å; R1296-D1353 IonicContact CZ-OD2 2.81Å; R1296-D1353 VanDerWaalsContact CZ-OD2 3.24Å; R1296-D1353 IonicContact NE-OD1 2.71Å; R1296-D1353 PolarHBondContact NE-OD1 2.83Å; R1296-D1353 IonicContact NE-OD2 3.4Å; R1296-D1353 PolarHBondContact NE-OD2 2.8Å; R1296-D1353 IonicContact NH2-OD2 2.81Å; R1296-D1353 PolarHBondContact NH2-OD2 3.38Å; R1296-L1355 HydrophobicContact CB-CD2 4.16Å; R1296-L1532 HydrophobicContact CB-CB 4.37Å; R1296-L1532 HydrophobicContact CG-CB 4.08Å; R1296-L1532 HydrophobicContact CG-CD1 4.25Å; R1296-L1532 PolarHBondContact O-N 2.98Å; R1296-P1533 PolarHBondContact NH1-O 3.37Å; R1296-P1536 VanDerWaalsContact NH1-CA 3.26Å |
| 1297 | T | 92.5 | Very high | 89 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.4 | -171.2 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | Q1295 V1354 L1356 I1529 Y1530 | Q1295-T1297 PolarHBondContact O-N 2.93Å; Q1295-T1297 PolarHBondContact O-OG1 3Å; Q1295-T1297 VanDerWaalsContact O-OG1 3.09Å; T1297-V1354 PolarHBondContact N-O 3.48Å; T1297-V1354 PolarHBondContact O-N 3.17Å; T1297-V1354 VanDerWaalsContact O-O 3.1Å; T1297-L1356 HydrophobicContact CG2-CD1 4.08Å; T1297-I1529 HydrophobicContact CG2-CG2 3.52Å; T1297-Y1530 WeakPolarHBondContact CG2-O 3.32Å |
| 1298 | G | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L1352 I1529 Y1530 | G1298-L1352 CarbonylContact C-O 3.51Å; G1298-L1352 WeakPolarHBondContact CA-O 3.37Å; G1298-I1529 WeakPolarHBondContact O-CA 3.06Å; G1298-Y1530 PolarHBondContact N-O 2.75Å; G1298-Y1530 PolarHBondContact O-N 3.05Å |
| 1299 | I | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 108.2 | 167.2 | -51.8 | 174.5 | 0 | 0 | 0 | 107.1 | I1301 I1326 F1351 L1352 V1354 L1356 F1527 R1528 I1529 | I1299-I1301 HydrophobicContact CG2-CG1 3.85Å; I1299-I1326 HydrophobicContact CD1-CD1 4Å; I1299-I1326 HydrophobicContact CD1-CG2 3.58Å; I1299-F1351 WeakPolarHBondContact O-CA 3.46Å; I1299-L1352 HydrophobicContact CB-CB 4.17Å; I1299-L1352 HydrophobicContact CD1-CD1 4.4Å; I1299-L1352 PolarHBondContact N-O 2.79Å; I1299-L1352 PolarHBondContact O-N 2.65Å; I1299-V1354 HydrophobicContact CD1-CG1 3.82Å; I1299-V1354 HydrophobicContact CG1-CG1 4.11Å; I1299-L1356 HydrophobicContact CD1-CD1 4.01Å; I1299-L1356 HydrophobicContact CG1-CD1 4.47Å; I1299-F1527 HydrophobicContact CG2-CD1 4.32Å; I1299-R1528 WeakPolarHBondContact CA-O 3.35Å; I1299-I1529 HydrophobicContact CG1-CG1 4.22Å; I1299-I1529 HydrophobicContact CG1-CG2 4.39Å; I1299-I1529 HydrophobicContact CG2-CG1 4.19Å |
| 1300 | E | 94 | Very high | 90.3 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 132.2 | 164 | -64.5 | -179 | -130.8 | 0 | 0 | 109.2 | F1351 F1527 R1528 Y1530 R1543 Y1544 F1545 | E1300-F1351 HydrophobicContact CG-CD2 3.78Å; E1300-F1351 HydrophobicContact CG-CE2 4.12Å; E1300-F1527 CarbonylContact O-C 3.43Å; E1300-F1527 VanDerWaalsContact O-CA 3.29Å; E1300-F1527 WeakPolarHBondContact O-CA 3.2Å; E1300-R1528 HydrophobicContact CB-CB 4.25Å; E1300-R1528 PolarHBondContact N-O 3.43Å; E1300-R1528 PolarHBondContact O-N 3.25Å; E1300-Y1530 HydrophobicContact CG-CE1 3.88Å; E1300-Y1530 WeakPolarHBondContact OE1-CE1 3.43Å; E1300-Y1530 PolarHBondContact OE1-OH 3.1Å; E1300-R1543 HydrophobicContact CG-CG 4.48Å; E1300-R1543 WeakPolarHBondContact OE1-CA 3.31Å; E1300-R1543 WeakPolarHBondContact OE2-CB 3.26Å; E1300-Y1544 VanDerWaalsContact CD-N 3.27Å; E1300-Y1544 PolarHBondContact OE1-N 2.8Å; E1300-Y1544 PolarHBondContact OE2-N 2.86Å; E1300-F1545 HydrophobicContact CB-CD2 3.64Å; E1300-F1545 HydrophobicContact CB-CE2 3.85Å; E1300-F1545 PolarHBondContact OE2-N 3.45Å |
| 1301 | I | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.9 | -178.4 | -53.7 | 166.4 | 0 | 0 | 0 | 108 | I1299 C1303 F1324 V1331 L1350 L1352 F1527 | I1299-I1301 HydrophobicContact CG2-CG1 3.85Å; I1301-C1303 HydrophobicContact CG2-CB 4.18Å; I1301-F1324 HydrophobicContact CD1-CB 3.98Å; I1301-F1324 HydrophobicContact CD1-CD1 4.33Å; I1301-F1324 HydrophobicContact CD1-CD2 4.09Å; I1301-F1324 HydrophobicContact CD1-CG 3.88Å; I1301-F1324 HydrophobicContact CG2-CD1 4.26Å; I1301-F1324 HydrophobicContact CG2-CD2 4.32Å; I1301-F1324 HydrophobicContact CG2-CE1 3.86Å; I1301-F1324 HydrophobicContact CG2-CE2 3.93Å; I1301-F1324 HydrophobicContact CG2-CG 4.48Å; I1301-F1324 HydrophobicContact CG2-CZ 3.68Å; I1301-V1331 HydrophobicContact CD1-CG1 3.64Å; I1301-L1350 HydrophobicContact CB-CB 4.11Å; I1301-L1350 HydrophobicContact CD1-CB 4.33Å; I1301-L1350 PolarHBondContact N-O 3.25Å; I1301-L1350 PolarHBondContact O-N 3.13Å; I1301-L1352 HydrophobicContact CD1-CD1 3.94Å; I1301-L1352 HydrophobicContact CD1-CG 4.24Å; I1301-F1527 HydrophobicContact CB-CD1 4.24Å; I1301-F1527 HydrophobicContact CB-CE1 4.35Å; I1301-F1527 HydrophobicContact CG1-CD1 3.88Å; I1301-F1527 HydrophobicContact CG1-CE1 4.08Å; I1301-F1527 HydrophobicContact CG2-CD1 4.03Å; I1301-F1527 HydrophobicContact CG2-CE1 3.7Å |
| 1302 | L | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 93.8 | 162.3 | 179.1 | 60.4 | 0 | 0 | 0 | 108 | W1304 P1348 L1349 F1500 C1501 G1525 T1526 F1545 L1548 | L1302-W1304 HydrophobicContact CD1-CE3 4.17Å; L1302-W1304 PolarHBondContact O-N 3.02Å; L1302-P1348 HydrophobicContact CD1-CB 4.18Å; L1302-P1348 HydrophobicContact CD1-CG 4.49Å; L1302-L1349 HydrophobicContact CD1-CD2 3.74Å; L1302-F1500 HydrophobicContact CD2-CD1 4.38Å; L1302-F1500 HydrophobicContact CD2-CE1 3.95Å; L1302-F1500 HydrophobicContact CD2-CE2 4.28Å; L1302-F1500 HydrophobicContact CD2-CZ 3.9Å; L1302-C1501 HydrophobicContact CD2-CB 4.4Å; L1302-G1525 CarbonylContact O-C 3.59Å; L1302-G1525 WeakPolarHBondContact O-CA 3.43Å; L1302-T1526 HydrophobicContact CB-CG2 4.01Å; L1302-T1526 HydrophobicContact CD2-CG2 4.14Å; L1302-T1526 PolarHBondContact N-O 3.27Å; L1302-T1526 PolarHBondContact O-N 2.97Å; L1302-T1526 VanDerWaalsContact O-N 3.09Å; L1302-F1545 HydrophobicContact CB-CD2 4.26Å; L1302-F1545 HydrophobicContact CB-CE1 4.49Å; L1302-F1545 HydrophobicContact CB-CE2 3.99Å; L1302-F1545 HydrophobicContact CB-CZ 4.12Å; L1302-L1548 HydrophobicContact CD1-CD1 4.04Å; L1302-L1548 HydrophobicContact CD1-CD2 3.98Å |
| 1303 | C | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 82.4 | 175 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | I1301 F1324 F1345 P1348 L1350 F1523 | I1301-C1303 HydrophobicContact CG2-CB 4.18Å; C1303-F1324 HydrophobicContact CB-CE2 3.83Å; C1303-F1324 HydrophobicContact CB-CZ 3.87Å; C1303-F1324 VanDerWaalsContact SG-CE2 3.58Å; C1303-F1345 VanDerWaalsContact O-CD2 3.29Å; C1303-F1345 WeakPolarHBondContact O-CD2 3.11Å; C1303-F1345 WeakPolarHBondContact SG-CD2 3.47Å; C1303-F1345 WeakPolarHBondContact SG-CE2 3.39Å; C1303-P1348 WeakPolarHBondContact CA-O 3.32Å; C1303-P1348 WeakPolarHBondContact CB-O 3.41Å; C1303-P1348 PolarHBondContact N-O 3.35Å; C1303-P1348 VanDerWaalsContact O-CA 3.24Å; C1303-P1348 WeakPolarHBondContact O-CA 3.43Å; C1303-P1348 WeakPolarHBondContact O-CB 3.46Å; C1303-L1350 HydrophobicContact CB-CD1 3.99Å; C1303-L1350 HydrophobicContact CB-CG 4.46Å; C1303-F1523 HydrophobicContact CB-CE2 4.49Å |
| 1304 | W | 94.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -54.2 | -168.4 | -172.3 | -118.7 | 0 | 0 | 0 | 113 | L1302 N1344 F1345 P1348 F1500 K1524 V1550 S1551 E1646 L1650 | L1302-W1304 HydrophobicContact CD1-CE3 4.17Å; L1302-W1304 PolarHBondContact O-N 3.02Å; W1304-N1344 VanDerWaalsContact O-CA 3.23Å; W1304-N1344 WeakPolarHBondContact O-CA 3.34Å; W1304-N1344 WeakPolarHBondContact O-CB 3.5Å; W1304-F1345 PolarHBondContact O-N 3.39Å; W1304-P1348 HydrophobicContact CE3-CB 4.34Å; W1304-P1348 HydrophobicContact CE3-CG 4.46Å; W1304-F1500 AromaticContact CD2-CE1 3.81Å; W1304-F1500 HydrophobicContact CD2-CE1 3.81Å; W1304-F1500 HydrophobicContact CD2-CZ 4.3Å; W1304-F1500 AromaticContact CE2-CE1 3.9Å; W1304-F1500 AromaticContact CE3-CE1 3.94Å; W1304-F1500 HydrophobicContact CE3-CE1 3.94Å; W1304-F1500 AromaticContact CE3-CZ 3.97Å; W1304-F1500 HydrophobicContact CE3-CZ 3.97Å; W1304-F1500 HydrophobicContact CG-CE1 4.31Å; W1304-F1500 HydrophobicContact CH2-CE1 4.22Å; W1304-F1500 AromaticContact CH2-CZ 3.97Å; W1304-F1500 HydrophobicContact CH2-CZ 3.97Å; W1304-F1500 HydrophobicContact CZ2-CE1 4.11Å; W1304-F1500 HydrophobicContact CZ2-CZ 4.3Å; W1304-F1500 HydrophobicContact CZ3-CE1 4.15Å; W1304-F1500 AromaticContact CZ3-CZ 3.8Å; W1304-F1500 HydrophobicContact CZ3-CZ 3.8Å; W1304-K1524 HydrophobicContact CB-CB 4.42Å; W1304-K1524 VanDerWaalsContact CB-O 3.3Å; W1304-K1524 WeakPolarHBondContact CB-O 3.39Å; W1304-K1524 PolarHBondContact N-O 2.88Å; W1304-K1524 VanDerWaalsContact N-O 3.07Å; W1304-V1550 HydrophobicContact CH2-CG1 4.42Å; W1304-S1551 WeakPolarHBondContact CH2-O 3.44Å; W1304-E1646 PolarHBondContact NE1-OE1 3.45Å; W1304-L1650 HydrophobicContact CZ2-CD1 4.37Å; W1304-L1650 HydrophobicContact CZ2-CD2 4.2Å |
| 1305 | G | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | -174.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1343 F1523 K1524 | G1305-P1343 VanDerWaalsContact CA-O 3.23Å; G1305-P1343 WeakPolarHBondContact CA-O 3.39Å; G1305-F1523 WeakPolarHBondContact O-CD2 3.45Å; G1305-K1524 PolarHBondContact N-O 2.96Å; G1305-K1524 PolarHBondContact O-N 3.36Å |
| 1306 | V | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 148.8 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | M1309 P1320 V1322 I1336 V1339 P1343 F1345 V1370 E1522 | V1306-M1309 HydrophobicContact CB-CG 4.04Å; V1306-M1309 HydrophobicContact CB-SD 4.06Å; V1306-M1309 HydrophobicContact CG2-CG 3.99Å; V1306-P1320 HydrophobicContact CG2-CG 3.74Å; V1306-V1322 HydrophobicContact CG1-CG2 4.33Å; V1306-I1336 HydrophobicContact CG2-CD1 4.12Å; V1306-V1339 HydrophobicContact CG2-CG1 4.37Å; V1306-V1339 HydrophobicContact CG2-CG2 4.09Å; V1306-P1343 PolarHBondContact N-O 2.83Å; V1306-P1343 WeakPolarHBondContact O-CB 3.28Å; V1306-F1345 HydrophobicContact CG1-CE2 4.48Å; V1306-F1345 HydrophobicContact CG1-CZ 4.39Å; V1306-V1370 HydrophobicContact CG1-CG1 4.27Å; V1306-V1370 HydrophobicContact CG1-CG2 4.45Å; V1306-E1522 CarbonylContact C-O 3.53Å; V1306-E1522 VanDerWaalsContact CA-O 3.28Å; V1306-E1522 WeakPolarHBondContact CA-O 3.35Å |
| 1307 | R | 93.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.3 | 179.6 | -55.2 | -67.9 | 176.2 | -91.4 | -3.4 | 110.7 | M1309 P1343 N1344 E1522 K1524 K1620 E1646 | R1307-M1309 PolarHBondContact O-N 2.86Å; R1307-P1343 PolarHBondContact NH1-O 2.91Å; R1307-N1344 PolarHBondContact NH1-OD1 3.48Å; R1307-N1344 PolarHBondContact NH2-OD1 3.12Å; R1307-E1522 HydrophobicContact CB-CB 3.93Å; R1307-E1522 PolarHBondContact N-O 3.41Å; R1307-E1522 PolarHBondContact O-N 3.15Å; R1307-K1524 HydrophobicContact CG-CD 4.35Å; R1307-K1524 HydrophobicContact CG-CG 4.35Å; R1307-K1620 HydrophobicContact CG-CD 4.2Å; R1307-E1646 IonicContact CZ-OE1 3.25Å; R1307-E1646 IonicContact CZ-OE2 3.35Å; R1307-E1646 IonicContact NE-OE1 3.47Å; R1307-E1646 IonicContact NE-OE2 3.6Å; R1307-E1646 PolarHBondContact NE-OE2 3.08Å; R1307-E1646 VanDerWaalsContact NH2-CD 3.34Å; R1307-E1646 IonicContact NH2-OE1 3.13Å; R1307-E1646 PolarHBondContact NH2-OE1 3.48Å; R1307-E1646 IonicContact NH2-OE2 3.64Å; R1307-E1646 PolarHBondContact NH2-OE2 3.05Å |
| 1308 | A | 89 | Confident | 90.8 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 47.7 | 30.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1310 Y1519 G1521 | A1308-R1310 PolarHBondContact O-N 3.32Å; A1308-Y1519 HydrophobicContact CB-CE1 4.45Å; A1308-Y1519 VanDerWaalsContact CB-OH 3.24Å; A1308-Y1519 WeakPolarHBondContact CB-OH 3.48Å; A1308-G1521 WeakPolarHBondContact O-CA 3.18Å |
| 1309 | M | 91.9 | Very high | 90.9 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 16% | 0.163 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -65 | 117.6 | -174.7 | -64.8 | -59.5 | -64 | 0 | 0 | 111.5 | V1306 R1307 V1317 V1370 V1382 L1506 | V1306-M1309 HydrophobicContact CB-CG 4.04Å; V1306-M1309 HydrophobicContact CB-SD 4.06Å; V1306-M1309 HydrophobicContact CG2-CG 3.99Å; R1307-M1309 PolarHBondContact O-N 2.86Å; M1309-V1317 HydrophobicContact CB-CB 4.06Å; M1309-V1317 HydrophobicContact CB-CG1 4.41Å; M1309-V1317 HydrophobicContact CB-CG2 4.42Å; M1309-V1317 HydrophobicContact CE-CG1 4.27Å; M1309-V1317 HydrophobicContact CE-CG2 4.37Å; M1309-V1317 HydrophobicContact CG-CG1 4.48Å; M1309-V1370 HydrophobicContact CE-CB 4.43Å; M1309-V1370 HydrophobicContact CE-CG1 3.93Å; M1309-V1382 HydrophobicContact CE-CG2 3.64Å; M1309-L1506 HydrophobicContact CE-CD1 4.1Å; M1309-L1506 HydrophobicContact SD-CD1 3.74Å |
| 1310 | R | 89 | Confident | 91 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -74.3 | 152.2 | 177.6 | -66.2 | -160.8 | -179.5 | 167.6 | -2.8 | 111.7 | A1308 Y1312 R1508 D1517 Y1519 A1520 | A1308-R1310 PolarHBondContact O-N 3.32Å; R1310-Y1312 PolarHBondContact O-N 2.78Å; R1310-R1508 PolarHBondContact O-NH1 3.47Å; R1310-D1517 IonicContact CZ-OD2 3.17Å; R1310-D1517 VanDerWaalsContact NH1-CG 3.3Å; R1310-D1517 IonicContact NH1-OD1 2.7Å; R1310-D1517 IonicContact NH1-OD2 2.65Å; R1310-D1517 PolarHBondContact NH1-OD2 3.42Å; R1310-D1517 IonicContact NH2-OD2 2.85Å; R1310-D1517 PolarHBondContact NH2-OD2 2.92Å; R1310-Y1519 VanDerWaalsContact CD-O 3.28Å; R1310-Y1519 WeakPolarHBondContact CD-O 2.86Å; R1310-Y1519 HydrophobicContact CG-CD1 4.13Å; R1310-Y1519 HydrophobicContact CG-CE1 4.39Å; R1310-Y1519 VanDerWaalsContact NE-CD1 3.34Å; R1310-Y1519 PolarHBondContact NH1-O 2.74Å; R1310-A1520 PolarHBondContact N-O 2.79Å |
| 1311 | K | 88.5 | Confident | 91.1 | Very high | 132 Ų | 132 | 42.6 Ų | 42.6 | 57% | 0.574 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -56.9 | 134 | 174.7 | -66.9 | -179.4 | -178.8 | 175.5 | 0 | 110.6 | A1315 R1508 | K1311-A1315 CarbonylContact C-O 3.56Å; K1311-A1315 VanDerWaalsContact CA-O 3.3Å; K1311-A1315 WeakPolarHBondContact CA-O 3.29Å; K1311-R1508 VanDerWaalsContact O-CZ 3.23Å; K1311-R1508 PolarHBondContact O-NH1 2.95Å; K1311-R1508 PolarHBondContact O-NH2 2.84Å |
| 1312 | Y | 83.4 | Confident | 91.2 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 18% | 0.18 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -114.6 | 123 | 176.4 | 177.3 | -95.3 | 0 | 0 | 0 | 110 | R1310 L1314 A1315 R1374 P1380 V1382 | R1310-Y1312 PolarHBondContact O-N 2.78Å; Y1312-L1314 VanDerWaalsContact C-N 3.34Å; Y1312-L1314 PolarHBondContact O-N 2.9Å; Y1312-A1315 PolarHBondContact N-O 3.37Å; Y1312-A1315 PolarHBondContact O-N 3.06Å; Y1312-R1374 PolarHBondContact O-NH1 3.16Å; Y1312-R1374 PolarHBondContact O-NH2 3.44Å; Y1312-P1380 HydrophobicContact CD1-CB 4.08Å; Y1312-P1380 HydrophobicContact CD1-CG 4.32Å; Y1312-P1380 HydrophobicContact CE1-CB 3.51Å; Y1312-P1380 HydrophobicContact CE1-CG 4.19Å; Y1312-V1382 HydrophobicContact CD1-CG1 3.96Å; Y1312-V1382 HydrophobicContact CD2-CG1 4.39Å; Y1312-V1382 HydrophobicContact CG-CB 4.36Å; Y1312-V1382 HydrophobicContact CG-CG1 3.79Å |
| 1313 | K | 81.8 | Confident | 91.2 | Very high | 161 Ų | 161 | 43.6 Ų | 43.6 | 70% | 0.7 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 52.8 | -171 | -63.9 | -177.2 | 177 | -179.3 | 0 | 111.7 | A1315 | K1313-A1315 PolarHBondContact O-N 3.46Š|
| 1314 | L | 80.6 | Confident | 91.1 | Very high | 170 Ų | 170 | 43.6 Ų | 43.6 | 89% | 0.89 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -4 | -177.8 | -57.3 | 170.3 | 0 | 0 | 0 | 116.3 | Y1312 | Y1312-L1314 VanDerWaalsContact C-N 3.34Å; Y1312-L1314 PolarHBondContact O-N 2.9Å |
| 1315 | A | 86.2 | Confident | 90.9 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -100.4 | 138.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1311 Y1312 K1313 | K1311-A1315 CarbonylContact C-O 3.56Å; K1311-A1315 VanDerWaalsContact CA-O 3.3Å; K1311-A1315 WeakPolarHBondContact CA-O 3.29Å; Y1312-A1315 PolarHBondContact N-O 3.37Å; Y1312-A1315 PolarHBondContact O-N 3.06Å; K1313-A1315 PolarHBondContact O-N 3.46Å |
| 1316 | S | 89.5 | Confident | 90.6 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 138.2 | 173.3 | -66.7 | 0 | 0 | 0 | 0 | 111.2 | N1318 | S1316-N1318 PolarHBondContact O-N 3.13Š|
| 1317 | V | 91.5 | Very high | 89.9 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 121.7 | 169.9 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | M1309 P1320 D1372 V1382 | M1309-V1317 HydrophobicContact CB-CB 4.06Å; M1309-V1317 HydrophobicContact CB-CG1 4.41Å; M1309-V1317 HydrophobicContact CB-CG2 4.42Å; M1309-V1317 HydrophobicContact CE-CG1 4.27Å; M1309-V1317 HydrophobicContact CE-CG2 4.37Å; M1309-V1317 HydrophobicContact CG-CG1 4.48Å; V1317-P1320 HydrophobicContact CG1-CB 4.04Å; V1317-P1320 HydrophobicContact CG1-CG 4.22Å; V1317-D1372 HydrophobicContact CG1-CB 4.02Å; V1317-V1382 HydrophobicContact CG1-CG2 4.23Å; V1317-V1382 HydrophobicContact CG2-CB 3.95Å; V1317-V1382 HydrophobicContact CG2-CG1 3.94Å; V1317-V1382 HydrophobicContact CG2-CG2 3.98Å |
| 1318 | N | 93.1 | Very high | 89 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | trans | -128.9 | -28.2 | -176.4 | 179.4 | 78.1 | 0 | 0 | 0 | 113.3 | S1316 P1320 S1338 V1339 D1372 | S1316-N1318 PolarHBondContact O-N 3.13Å; N1318-P1320 WeakPolarHBondContact O-CD 3.5Å; N1318-S1338 VanDerWaalsContact O-CA 3.32Å; N1318-S1338 WeakPolarHBondContact O-CA 3.41Å; N1318-S1338 PolarHBondContact OD1-OG 3.29Å; N1318-S1338 VanDerWaalsContact OD1-OG 3.13Å; N1318-V1339 WeakPolarHBondContact O-CG2 3.48Å; N1318-V1339 PolarHBondContact O-N 2.78Å; N1318-D1372 PolarHBondContact N-OD1 2.78Å | ||
| 1319 | S | 95.1 | Very high | 88.9 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -127 | 61.5 | -175.5 | -51.6 | 0 | 0 | 0 | 0 | 112.4 | I1336 D1372 H1373 | S1319-I1336 WeakPolarHBondContact CA-O 3.44Å; S1319-D1372 PolarHBondContact N-OD1 3.09Å; S1319-H1373 WeakPolarHBondContact CB-O 3.42Å; S1319-H1373 WeakPolarHBondContact O-CB 3.34Å; S1319-H1373 PolarHBondContact O-CD2 3.49Å; S1319-H1373 PolarHBondContact O-N 3.22Å |
| 1320 | P | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 150.4 | -173.2 | 30.7 | -33.9 | 0 | 0 | 0 | 114.1 | V1306 V1317 N1318 I1336 V1339 V1370 R1371 | V1306-P1320 HydrophobicContact CG2-CG 3.74Å; V1317-P1320 HydrophobicContact CG1-CB 4.04Å; V1317-P1320 HydrophobicContact CG1-CG 4.22Å; N1318-P1320 WeakPolarHBondContact O-CD 3.5Å; P1320-I1336 HydrophobicContact CG-CB 4.1Å; P1320-I1336 HydrophobicContact CG-CD1 4.06Å; P1320-I1336 PolarHBondContact O-N 3.49Å; P1320-V1339 HydrophobicContact CG-CG2 3.36Å; P1320-V1370 HydrophobicContact CB-CG1 3.83Å; P1320-R1371 CarbonylContact C-O 3.19Å; P1320-R1371 WeakPolarHBondContact CA-O 3.41Å |
| 1321 | S | 96.1 | Very high | 89 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.6 | 159.6 | 64.2 | 0 | 0 | 0 | 0 | 109.3 | V1370 R1371 H1373 | S1321-V1370 WeakPolarHBondContact O-CA 3.3Å; S1321-R1371 PolarHBondContact N-O 3.17Å; S1321-R1371 PolarHBondContact O-N 2.94Å; S1321-H1373 PolarHBondContact OG-NE2 3.31Å |
| 1322 | V | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.6 | 176.5 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | V1306 F1324 E1332 S1333 F1345 I1368 C1369 V1370 F1523 | V1306-V1322 HydrophobicContact CG1-CG2 4.33Å; V1322-F1324 HydrophobicContact CB-CE2 4.07Å; V1322-F1324 HydrophobicContact CB-CZ 4.32Å; V1322-F1324 HydrophobicContact CG1-CD2 4.11Å; V1322-F1324 HydrophobicContact CG1-CE1 4.07Å; V1322-F1324 HydrophobicContact CG1-CE2 3.57Å; V1322-F1324 HydrophobicContact CG1-CZ 3.54Å; V1322-E1332 WeakPolarHBondContact O-CA 3.31Å; V1322-S1333 PolarHBondContact N-OG 2.98Å; V1322-S1333 PolarHBondContact O-N 2.89Å; V1322-S1333 PolarHBondContact O-OG 3.44Å; V1322-F1345 HydrophobicContact CB-CZ 4.27Å; V1322-F1345 HydrophobicContact CG2-CE2 3.76Å; V1322-F1345 HydrophobicContact CG2-CZ 3.44Å; V1322-F1345 VanDerWaalsContact CG2-CZ 3.44Å; V1322-I1368 HydrophobicContact CG1-CG2 3.63Å; V1322-C1369 CarbonylContact C-O 3.54Å; V1322-C1369 WeakPolarHBondContact CA-O 3.42Å; V1322-V1370 HydrophobicContact CG2-CG2 3.98Å; V1322-F1523 HydrophobicContact CG1-CE2 4.45Å; V1322-F1523 HydrophobicContact CG2-CD2 3.97Å; V1322-F1523 HydrophobicContact CG2-CE2 4.21Å |
| 1323 | E | 94 | Very high | 89.8 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.8 | 172.5 | -52.2 | -178.9 | 169.9 | 0 | 0 | 107.7 | V1330 E1332 C1369 R1371 | E1323-V1330 HydrophobicContact CB-CG1 4.22Å; E1323-E1332 HydrophobicContact CG-CG 3.93Å; E1323-C1369 HydrophobicContact CB-CB 4.3Å; E1323-C1369 PolarHBondContact N-O 2.67Å; E1323-C1369 PolarHBondContact O-N 3.23Å; E1323-R1371 WeakPolarHBondContact OE1-CD 3.34Å; E1323-R1371 IonicContact OE1-CZ 3.66Å; E1323-R1371 IonicContact OE1-NE 2.98Å; E1323-R1371 PolarHBondContact OE1-NE 2.93Å; E1323-R1371 IonicContact OE1-NH2 2.79Å; E1323-R1371 IonicContact OE2-CZ 2.83Å; E1323-R1371 IonicContact OE2-NE 3.91Å; E1323-R1371 PolarHBondContact OE2-NE 3.06Å; E1323-R1371 IonicContact OE2-NH2 3.94Å; E1323-R1371 PolarHBondContact OE2-NH2 3.37Å |
| 1324 | F | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.8 | 172.4 | -59 | -93.2 | 0 | 0 | 0 | 108.6 | I1301 C1303 V1322 V1330 V1331 L1350 M1366 N1367 I1368 F1523 F1527 | I1301-F1324 HydrophobicContact CD1-CB 3.98Å; I1301-F1324 HydrophobicContact CD1-CD1 4.33Å; I1301-F1324 HydrophobicContact CD1-CD2 4.09Å; I1301-F1324 HydrophobicContact CD1-CG 3.88Å; I1301-F1324 HydrophobicContact CG2-CD1 4.26Å; I1301-F1324 HydrophobicContact CG2-CD2 4.32Å; I1301-F1324 HydrophobicContact CG2-CE1 3.86Å; I1301-F1324 HydrophobicContact CG2-CE2 3.93Å; I1301-F1324 HydrophobicContact CG2-CG 4.48Å; I1301-F1324 HydrophobicContact CG2-CZ 3.68Å; C1303-F1324 HydrophobicContact CB-CE2 3.83Å; C1303-F1324 HydrophobicContact CB-CZ 3.87Å; C1303-F1324 VanDerWaalsContact SG-CE2 3.58Å; V1322-F1324 HydrophobicContact CB-CE2 4.07Å; V1322-F1324 HydrophobicContact CB-CZ 4.32Å; V1322-F1324 HydrophobicContact CG1-CD2 4.11Å; V1322-F1324 HydrophobicContact CG1-CE1 4.07Å; V1322-F1324 HydrophobicContact CG1-CE2 3.57Å; V1322-F1324 HydrophobicContact CG1-CZ 3.54Å; F1324-V1330 CarbonylContact O-C 3.53Å; F1324-V1330 VanDerWaalsContact O-CA 3.27Å; F1324-V1330 WeakPolarHBondContact O-CA 3.33Å; F1324-V1331 HydrophobicContact CB-CG1 3.93Å; F1324-V1331 HydrophobicContact CD2-CG1 4.21Å; F1324-V1331 HydrophobicContact CG-CG1 4.49Å; F1324-V1331 PolarHBondContact N-O 2.72Å; F1324-V1331 PolarHBondContact O-N 3.34Å; F1324-L1350 HydrophobicContact CD2-CD1 3.91Å; F1324-L1350 HydrophobicContact CE2-CD1 3.75Å; F1324-M1366 HydrophobicContact CD1-SD 4.36Å; F1324-N1367 WeakPolarHBondContact CA-O 3.41Å; F1324-I1368 HydrophobicContact CD1-CG1 4Å; F1324-I1368 HydrophobicContact CD1-CG2 4.26Å; F1324-I1368 HydrophobicContact CE1-CD1 4.4Å; F1324-I1368 HydrophobicContact CE1-CG1 4.15Å; F1324-I1368 HydrophobicContact CE1-CG2 3.87Å; F1324-F1523 AromaticContact CE1-CE1 3.77Å; F1324-F1523 HydrophobicContact CE1-CE1 3.77Å; F1324-F1523 AromaticContact CE1-CZ 3.69Å; F1324-F1523 HydrophobicContact CE1-CZ 3.69Å; F1324-F1523 AromaticContact CZ-CE1 3.97Å; F1324-F1523 HydrophobicContact CZ-CE1 3.97Å; F1324-F1523 AromaticContact CZ-CE2 3.93Å; F1324-F1523 HydrophobicContact CZ-CE2 3.93Å; F1324-F1523 AromaticContact CZ-CZ 3.39Å; F1324-F1523 HydrophobicContact CZ-CZ 3.39Å; F1324-F1527 AromaticContact CD1-CE1 3.91Å; F1324-F1527 HydrophobicContact CD1-CE1 3.91Å; F1324-F1527 HydrophobicContact CD1-CZ 4.23Å; F1324-F1527 AromaticContact CE1-CE1 3.81Å; F1324-F1527 HydrophobicContact CE1-CE1 3.81Å; F1324-F1527 AromaticContact CE1-CZ 3.94Å; F1324-F1527 HydrophobicContact CE1-CZ 3.94Å |
| 1325 | E | 89.8 | Confident | 91.1 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.4 | 179.3 | 178.6 | -173.9 | -160.3 | 0 | 0 | 110.2 | K1329 V1330 M1366 N1367 | E1325-K1329 WeakPolarHBondContact CA-O 3.01Å; E1325-V1330 HydrophobicContact CB-CG2 4.05Å; E1325-V1330 HydrophobicContact CG-CG2 3.94Å; E1325-M1366 CarbonylContact O-C 3.57Å; E1325-M1366 WeakPolarHBondContact O-CA 3.24Å; E1325-N1367 HydrophobicContact CB-CB 4.25Å; E1325-N1367 PolarHBondContact N-O 3.43Å; E1325-N1367 PolarHBondContact O-N 2.82Å; E1325-N1367 PolarHBondContact OE2-ND2 2.79Å |
| 1326 | I | 88.5 | Confident | 91.4 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 137.5 | 172.1 | -170.7 | 179.3 | 0 | 0 | 0 | 109.4 | I1299 G1328 K1329 L1352 L1356 P1364 M1366 F1390 | I1299-I1326 HydrophobicContact CD1-CD1 4Å; I1299-I1326 HydrophobicContact CD1-CG2 3.58Å; I1326-G1328 PolarHBondContact O-N 3.38Å; I1326-G1328 VanDerWaalsContact O-N 3.17Å; I1326-K1329 PolarHBondContact N-O 2.98Å; I1326-K1329 VanDerWaalsContact N-O 3.07Å; I1326-K1329 PolarHBondContact O-N 3.25Å; I1326-L1352 HydrophobicContact CG2-CD1 3.82Å; I1326-L1356 HydrophobicContact CD1-CD1 4.01Å; I1326-L1356 HydrophobicContact CD1-CD2 4.05Å; I1326-L1356 HydrophobicContact CG1-CD2 3.99Å; I1326-P1364 HydrophobicContact CG1-CG 4.04Å; I1326-M1366 HydrophobicContact CB-CB 4.14Å; I1326-M1366 HydrophobicContact CB-CG 4.15Å; I1326-M1366 HydrophobicContact CD1-CB 4.17Å; I1326-M1366 HydrophobicContact CG1-CB 4.36Å; I1326-F1390 HydrophobicContact CD1-CE1 3.9Å; I1326-F1390 HydrophobicContact CD1-CZ 3.7Å |
| 1327 | G | 79.4 | Confident | 91.4 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 31.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1329 | G1327-K1329 PolarHBondContact O-N 3.46Š|
| 1328 | G | 76.2 | Confident | 91.4 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 68% | 0.68 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 1.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1326 | I1326-G1328 PolarHBondContact O-N 3.38Å; I1326-G1328 VanDerWaalsContact O-N 3.17Å |
| 1329 | K | 87 | Confident | 91.3 | Very high | 97 Ų | 97 | 44.5 Ų | 44.5 | 42% | 0.422 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.2 | 169.8 | -72 | -163.7 | 177.8 | -173.3 | 0 | 110 | E1325 I1326 G1327 L1352 D1353 V1354 | E1325-K1329 WeakPolarHBondContact CA-O 3.01Å; I1326-K1329 PolarHBondContact N-O 2.98Å; I1326-K1329 VanDerWaalsContact N-O 3.07Å; I1326-K1329 PolarHBondContact O-N 3.25Å; G1327-K1329 PolarHBondContact O-N 3.46Å; K1329-L1352 HydrophobicContact CB-CD2 4.14Å; K1329-D1353 WeakPolarHBondContact CD-O 3.5Å; K1329-D1353 WeakPolarHBondContact CE-O 3.44Å; K1329-D1353 PolarHBondContact NZ-O 3.1Å; K1329-V1354 HydrophobicContact CB-CG2 4.39Å; K1329-V1354 HydrophobicContact CD-CB 4.08Å; K1329-V1354 HydrophobicContact CD-CG2 4.24Å; K1329-V1354 HydrophobicContact CG-CG2 4.29Å |
| 1330 | V | 89 | Confident | 91 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135 | 176 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | E1323 F1324 E1325 E1332 | E1323-V1330 HydrophobicContact CB-CG1 4.22Å; F1324-V1330 CarbonylContact O-C 3.53Å; F1324-V1330 VanDerWaalsContact O-CA 3.27Å; F1324-V1330 WeakPolarHBondContact O-CA 3.33Å; E1325-V1330 HydrophobicContact CB-CG2 4.05Å; E1325-V1330 HydrophobicContact CG-CG2 3.94Å; V1330-E1332 HydrophobicContact CG1-CG 4.38Å |
| 1331 | V | 93.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.9 | 165.2 | 65.4 | 0 | 0 | 0 | 0 | 109.4 | I1301 F1324 L1350 L1352 | I1301-V1331 HydrophobicContact CD1-CG1 3.64Å; F1324-V1331 HydrophobicContact CB-CG1 3.93Å; F1324-V1331 HydrophobicContact CD2-CG1 4.21Å; F1324-V1331 HydrophobicContact CG-CG1 4.49Å; F1324-V1331 PolarHBondContact N-O 2.72Å; F1324-V1331 PolarHBondContact O-N 3.34Å; V1331-L1350 HydrophobicContact CG1-CB 4.39Å; V1331-L1350 HydrophobicContact CG1-CD1 4.3Å; V1331-L1350 HydrophobicContact CG2-CB 4.1Å; V1331-L1350 HydrophobicContact CG2-CD1 4.28Å; V1331-L1350 HydrophobicContact CG2-CD2 4.28Å; V1331-L1350 HydrophobicContact CG2-CG 4.46Å; V1331-L1352 HydrophobicContact CB-CD2 3.68Å; V1331-L1352 HydrophobicContact CB-CG 4.16Å; V1331-L1352 HydrophobicContact CG1-CD1 3.9Å; V1331-L1352 HydrophobicContact CG1-CD2 3.73Å; V1331-L1352 HydrophobicContact CG1-CG 3.66Å |
| 1332 | E | 93.8 | Very high | 90.6 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.8 | -179.7 | -52.5 | -170.2 | 176.7 | 0 | 0 | 110.2 | V1322 E1323 V1330 | V1322-E1332 WeakPolarHBondContact O-CA 3.31Å; E1323-E1332 HydrophobicContact CG-CG 3.93Å; V1330-E1332 HydrophobicContact CG1-CG 4.38Å |
| 1333 | S | 95.7 | Very high | 90.5 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 163.6 | 170.5 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | V1322 F1345 | V1322-S1333 PolarHBondContact N-OG 2.98Å; V1322-S1333 PolarHBondContact O-N 2.89Å; V1322-S1333 PolarHBondContact O-OG 3.44Å; S1333-F1345 WeakPolarHBondContact OG-CD1 3.31Å; S1333-F1345 WeakPolarHBondContact OG-CE1 3.34Å; S1333-F1345 WeakPolarHBondContact OG-CZ 3.17Å |
| 1334 | T | 94.3 | Very high | 90.5 | Very high | 55 Ų | 55 | 60 Ų | 60 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 156.6 | 167.8 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | F1345 | T1334-F1345 WeakPolarHBondContact O-CD1 3.37Å; T1334-F1345 WeakPolarHBondContact O-CE1 3.32Å |
| 1335 | I | 93.6 | Very high | 90.5 | Very high | 82 Ų | 82 | 60 Ų | 60 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 129.1 | 176.6 | -56.6 | 165.7 | 0 | 0 | 0 | 110 | K1337 H1373 | I1335-K1337 PolarHBondContact O-N 3.27Å; I1335-H1373 VanDerWaalsContact CD1-CE1 3.48Å; I1335-H1373 WeakPolarHBondContact CD1-CE1 3.45Å; I1335-H1373 WeakPolarHBondContact CD1-ND1 3.45Å; I1335-H1373 HydrophobicContact CG2-CB 4.37Å |
| 1336 | I | 93.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 120.2 | 165.9 | -74.6 | 164.6 | 0 | 0 | 0 | 108.2 | V1306 S1319 P1320 S1338 V1339 N1342 P1343 F1345 | V1306-I1336 HydrophobicContact CG2-CD1 4.12Å; S1319-I1336 WeakPolarHBondContact CA-O 3.44Å; P1320-I1336 HydrophobicContact CG-CB 4.1Å; P1320-I1336 HydrophobicContact CG-CD1 4.06Å; P1320-I1336 PolarHBondContact O-N 3.49Å; I1336-S1338 VanDerWaalsContact C-N 3.34Å; I1336-S1338 PolarHBondContact O-N 2.96Å; I1336-V1339 HydrophobicContact CG2-CG2 3.89Å; I1336-N1342 WeakPolarHBondContact CG2-O 3.37Å; I1336-P1343 VanDerWaalsContact CD1-O 3.25Å; I1336-P1343 WeakPolarHBondContact CD1-O 3.45Å; I1336-F1345 HydrophobicContact CD1-CD1 3.79Å; I1336-F1345 HydrophobicContact CD1-CD2 4.19Å; I1336-F1345 HydrophobicContact CD1-CE1 3.5Å; I1336-F1345 VanDerWaalsContact CD1-CE1 3.5Å; I1336-F1345 HydrophobicContact CD1-CE2 3.92Å; I1336-F1345 HydrophobicContact CD1-CG 4.14Å; I1336-F1345 HydrophobicContact CD1-CZ 3.56Å; I1336-F1345 HydrophobicContact CG1-CD1 3.54Å; I1336-F1345 HydrophobicContact CG1-CE1 3.56Å; I1336-F1345 HydrophobicContact CG1-CG 4.15Å; I1336-F1345 HydrophobicContact CG1-CZ 4.17Å |
| 1337 | K | 90.1 | Very high | 90.5 | Very high | 198 Ų | 198 | 63.1 Ų | 63.1 | 86% | 0.861 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -65.9 | -35.3 | -177.3 | -67.5 | -179.2 | -179.1 | 174.2 | 0 | 113.2 | I1335 | I1335-K1337 PolarHBondContact O-N 3.27Š|
| 1338 | S | 91 | Very high | 91.1 | Very high | 27 Ų | 27 | 62 Ų | 62 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | trans | -162.1 | 110 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | N1318 I1336 K1340 K1341 N1342 | N1318-S1338 VanDerWaalsContact O-CA 3.32Å; N1318-S1338 WeakPolarHBondContact O-CA 3.41Å; N1318-S1338 PolarHBondContact OD1-OG 3.29Å; N1318-S1338 VanDerWaalsContact OD1-OG 3.13Å; I1336-S1338 VanDerWaalsContact C-N 3.34Å; I1336-S1338 PolarHBondContact O-N 2.96Å; S1338-K1340 PolarHBondContact O-N 2.87Å; S1338-K1341 PolarHBondContact O-N 2.98Å; S1338-N1342 PolarHBondContact O-N 3.43Å; S1338-N1342 VanDerWaalsContact O-O 3.13Å | ||
| 1339 | V | 90.7 | Very high | 91.9 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -38.1 | 178 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | V1306 N1318 P1320 I1336 K1341 N1342 P1343 | V1306-V1339 HydrophobicContact CG2-CG1 4.37Å; V1306-V1339 HydrophobicContact CG2-CG2 4.09Å; N1318-V1339 WeakPolarHBondContact O-CG2 3.48Å; N1318-V1339 PolarHBondContact O-N 2.78Å; P1320-V1339 HydrophobicContact CG-CG2 3.36Å; I1336-V1339 HydrophobicContact CG2-CG2 3.89Å; V1339-K1341 VanDerWaalsContact C-N 3.28Å; V1339-K1341 PolarHBondContact O-N 3.48Å; V1339-N1342 CarbonylContact O-C 3.56Å; V1339-P1343 HydrophobicContact CG1-CB 3.99Å |
| 1340 | K | 88.1 | Confident | 92.2 | Very high | 156 Ų | 156 | 59 Ų | 59 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.6 | 178.8 | -66.4 | -172.9 | 177.9 | -174.3 | 0 | 113.8 | S1338 | S1338-K1340 PolarHBondContact O-N 2.87Š|
| 1341 | K | 90.7 | Very high | 92.4 | Very high | 170 Ų | 170 | 57.6 Ų | 57.6 | 74% | 0.739 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -41.5 | 179.7 | -70.7 | -171.4 | 176 | -174.5 | 0 | 112.3 | S1338 V1339 I1618 | S1338-K1341 PolarHBondContact O-N 2.98Å; V1339-K1341 VanDerWaalsContact C-N 3.28Å; V1339-K1341 PolarHBondContact O-N 3.48Å; K1341-I1618 WeakPolarHBondContact O-CD1 3.25Å |
| 1342 | N | 94.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | trans | -152.2 | 110.9 | 174.4 | -177.7 | -0.4 | 0 | 0 | 0 | 108 | I1336 S1338 V1339 N1344 P1554 | I1336-N1342 WeakPolarHBondContact CG2-O 3.37Å; S1338-N1342 PolarHBondContact O-N 3.43Å; S1338-N1342 VanDerWaalsContact O-O 3.13Å; V1339-N1342 CarbonylContact O-C 3.56Å; N1342-N1344 PolarHBondContact O-N 2.66Å; N1342-N1344 WeakPolarHBondContact OD1-CB 3.19Å; N1342-N1344 PolarHBondContact OD1-N 2.96Å; N1342-P1554 HydrophobicContact CB-CG 3.78Å; N1342-P1554 VanDerWaalsContact CG-CD 3.47Å | ||
| 1343 | P | 94.2 | Very high | 92.2 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.045 | 28% | 0.284 | C | S | . | . | trans | -83.9 | 5.6 | -180 | 37 | -39 | 0 | 0 | 0 | 113.4 | G1305 V1306 R1307 I1336 V1339 P1617 | G1305-P1343 VanDerWaalsContact CA-O 3.23Å; G1305-P1343 WeakPolarHBondContact CA-O 3.39Å; V1306-P1343 PolarHBondContact N-O 2.83Å; V1306-P1343 WeakPolarHBondContact O-CB 3.28Å; R1307-P1343 PolarHBondContact NH1-O 2.91Å; I1336-P1343 VanDerWaalsContact CD1-O 3.25Å; I1336-P1343 WeakPolarHBondContact CD1-O 3.45Å; V1339-P1343 HydrophobicContact CG1-CB 3.99Å; P1343-P1617 HydrophobicContact CG-CG 3.87Å | ||
| 1344 | N | 94.8 | Very high | 92 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 152.3 | 177 | -63.5 | -21.9 | 0 | 0 | 0 | 112.5 | W1304 R1307 N1342 S1552 | W1304-N1344 VanDerWaalsContact O-CA 3.23Å; W1304-N1344 WeakPolarHBondContact O-CA 3.34Å; W1304-N1344 WeakPolarHBondContact O-CB 3.5Å; R1307-N1344 PolarHBondContact NH1-OD1 3.48Å; R1307-N1344 PolarHBondContact NH2-OD1 3.12Å; N1342-N1344 PolarHBondContact O-N 2.66Å; N1342-N1344 WeakPolarHBondContact OD1-CB 3.19Å; N1342-N1344 PolarHBondContact OD1-N 2.96Å; N1344-S1552 WeakPolarHBondContact CB-O 3.37Å; N1344-S1552 PolarHBondContact ND2-O 2.77Å |
| 1345 | F | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -76.7 | 137.4 | 175.4 | -65.2 | -74.4 | 0 | 0 | 0 | 111.2 | C1303 W1304 V1306 V1322 S1333 T1334 I1336 S1347 | C1303-F1345 VanDerWaalsContact O-CD2 3.29Å; C1303-F1345 WeakPolarHBondContact O-CD2 3.11Å; C1303-F1345 WeakPolarHBondContact SG-CD2 3.47Å; C1303-F1345 WeakPolarHBondContact SG-CE2 3.39Å; W1304-F1345 PolarHBondContact O-N 3.39Å; V1306-F1345 HydrophobicContact CG1-CE2 4.48Å; V1306-F1345 HydrophobicContact CG1-CZ 4.39Å; V1322-F1345 HydrophobicContact CB-CZ 4.27Å; V1322-F1345 HydrophobicContact CG2-CE2 3.76Å; V1322-F1345 HydrophobicContact CG2-CZ 3.44Å; V1322-F1345 VanDerWaalsContact CG2-CZ 3.44Å; S1333-F1345 WeakPolarHBondContact OG-CD1 3.31Å; S1333-F1345 WeakPolarHBondContact OG-CE1 3.34Å; S1333-F1345 WeakPolarHBondContact OG-CZ 3.17Å; T1334-F1345 WeakPolarHBondContact O-CD1 3.37Å; T1334-F1345 WeakPolarHBondContact O-CE1 3.32Å; I1336-F1345 HydrophobicContact CD1-CD1 3.79Å; I1336-F1345 HydrophobicContact CD1-CD2 4.19Å; I1336-F1345 HydrophobicContact CD1-CE1 3.5Å; I1336-F1345 VanDerWaalsContact CD1-CE1 3.5Å; I1336-F1345 HydrophobicContact CD1-CE2 3.92Å; I1336-F1345 HydrophobicContact CD1-CG 4.14Å; I1336-F1345 HydrophobicContact CD1-CZ 3.56Å; I1336-F1345 HydrophobicContact CG1-CD1 3.54Å; I1336-F1345 HydrophobicContact CG1-CE1 3.56Å; I1336-F1345 HydrophobicContact CG1-CG 4.15Å; I1336-F1345 HydrophobicContact CG1-CZ 4.17Å; F1345-S1347 VanDerWaalsContact C-N 3.3Å; F1345-S1347 PolarHBondContact O-N 3.25Å | ||
| 1346 | A | 88.3 | Confident | 91.5 | Very high | 79 Ų | 79 | 52 Ų | 52 | 65% | 0.653 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -68.6 | -29.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1347 | S | 89.7 | Confident | 91.2 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -123.6 | 82.2 | 172.8 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | F1345 L1349 | F1345-S1347 VanDerWaalsContact C-N 3.3Å; F1345-S1347 PolarHBondContact O-N 3.25Å; S1347-L1349 VanDerWaalsContact C-N 3.29Å; S1347-L1349 PolarHBondContact O-N 3.08Å |
| 1348 | P | 91.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 8% | 0.078 | 26% | 0.26 | C | S | . | . | trans | -77.4 | -13.7 | -170.2 | 31.2 | -36.4 | 0 | 0 | 0 | 113.6 | L1302 C1303 W1304 L1548 | L1302-P1348 HydrophobicContact CD1-CB 4.18Å; L1302-P1348 HydrophobicContact CD1-CG 4.49Å; C1303-P1348 WeakPolarHBondContact CA-O 3.32Å; C1303-P1348 WeakPolarHBondContact CB-O 3.41Å; C1303-P1348 PolarHBondContact N-O 3.35Å; C1303-P1348 VanDerWaalsContact O-CA 3.24Å; C1303-P1348 WeakPolarHBondContact O-CA 3.43Å; C1303-P1348 WeakPolarHBondContact O-CB 3.46Å; W1304-P1348 HydrophobicContact CE3-CB 4.34Å; W1304-P1348 HydrophobicContact CE3-CG 4.46Å; P1348-L1548 HydrophobicContact CG-CD1 3.8Å | ||
| 1349 | L | 92.6 | Very high | 90 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 36% | 0.356 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.7 | -176.3 | -59.2 | 179.9 | 0 | 0 | 0 | 111.3 | L1302 S1347 F1545 L1548 | L1302-L1349 HydrophobicContact CD1-CD2 3.74Å; S1347-L1349 VanDerWaalsContact C-N 3.29Å; S1347-L1349 PolarHBondContact O-N 3.08Å; L1349-F1545 HydrophobicContact CD1-CB 4.42Å; L1349-F1545 WeakPolarHBondContact CD1-O 3.48Å; L1349-F1545 HydrophobicContact CD2-CB 3.52Å; L1349-F1545 HydrophobicContact CD2-CD2 4.44Å; L1349-F1545 HydrophobicContact CD2-CG 4.18Å; L1349-L1548 HydrophobicContact CD1-CD1 4.16Å; L1349-L1548 HydrophobicContact CD1-CG 4.2Å; L1349-L1548 HydrophobicContact CD2-CD1 3.8Å; L1349-L1548 HydrophobicContact CD2-CD2 4.22Å; L1349-L1548 HydrophobicContact CD2-CG 4.06Å; L1349-L1548 HydrophobicContact CG-CD1 3.92Å; L1349-L1548 HydrophobicContact CG-CG 4.37Å |
| 1350 | L | 94 | Very high | 89.1 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 158.9 | 174.2 | -48.7 | 169.3 | 0 | 0 | 0 | 109.8 | I1301 C1303 F1324 V1331 | I1301-L1350 HydrophobicContact CB-CB 4.11Å; I1301-L1350 HydrophobicContact CD1-CB 4.33Å; I1301-L1350 PolarHBondContact N-O 3.25Å; I1301-L1350 PolarHBondContact O-N 3.13Å; C1303-L1350 HydrophobicContact CB-CD1 3.99Å; C1303-L1350 HydrophobicContact CB-CG 4.46Å; F1324-L1350 HydrophobicContact CD2-CD1 3.91Å; F1324-L1350 HydrophobicContact CE2-CD1 3.75Å; V1331-L1350 HydrophobicContact CG1-CB 4.39Å; V1331-L1350 HydrophobicContact CG1-CD1 4.3Å; V1331-L1350 HydrophobicContact CG2-CB 4.1Å; V1331-L1350 HydrophobicContact CG2-CD1 4.28Å; V1331-L1350 HydrophobicContact CG2-CD2 4.28Å; V1331-L1350 HydrophobicContact CG2-CG 4.46Å |
| 1351 | F | 92.6 | Very high | 88.3 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 128.9 | 179 | -179 | -105.2 | 0 | 0 | 0 | 110.2 | I1299 E1300 D1353 L1532 | I1299-F1351 WeakPolarHBondContact O-CA 3.46Å; E1300-F1351 HydrophobicContact CG-CD2 3.78Å; E1300-F1351 HydrophobicContact CG-CE2 4.12Å; F1351-D1353 HydrophobicContact CE1-CB 4.02Å; F1351-L1532 HydrophobicContact CZ-CD1 4.09Å |
| 1352 | L | 92.1 | Very high | 87.6 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.6 | 169.4 | -71 | 168 | 0 | 0 | 0 | 109.2 | G1298 I1299 I1301 I1326 K1329 V1331 V1354 | G1298-L1352 CarbonylContact C-O 3.51Å; G1298-L1352 WeakPolarHBondContact CA-O 3.37Å; I1299-L1352 HydrophobicContact CB-CB 4.17Å; I1299-L1352 HydrophobicContact CD1-CD1 4.4Å; I1299-L1352 PolarHBondContact N-O 2.79Å; I1299-L1352 PolarHBondContact O-N 2.65Å; I1301-L1352 HydrophobicContact CD1-CD1 3.94Å; I1301-L1352 HydrophobicContact CD1-CG 4.24Å; I1326-L1352 HydrophobicContact CG2-CD1 3.82Å; K1329-L1352 HydrophobicContact CB-CD2 4.14Å; V1331-L1352 HydrophobicContact CB-CD2 3.68Å; V1331-L1352 HydrophobicContact CB-CG 4.16Å; V1331-L1352 HydrophobicContact CG1-CD1 3.9Å; V1331-L1352 HydrophobicContact CG1-CD2 3.73Å; V1331-L1352 HydrophobicContact CG1-CG 3.66Å; L1352-V1354 HydrophobicContact CB-CG1 4.41Å |
| 1353 | D | 91.7 | Very high | 87 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 107.4 | 160.6 | 178.2 | -17 | 0 | 0 | 0 | 106.1 | R1296 K1329 F1351 L1532 | R1296-D1353 VanDerWaalsContact CG-OD1 3.26Å; R1296-D1353 WeakPolarHBondContact CG-OD1 3.34Å; R1296-D1353 IonicContact CZ-OD2 2.81Å; R1296-D1353 VanDerWaalsContact CZ-OD2 3.24Å; R1296-D1353 IonicContact NE-OD1 2.71Å; R1296-D1353 PolarHBondContact NE-OD1 2.83Å; R1296-D1353 IonicContact NE-OD2 3.4Å; R1296-D1353 PolarHBondContact NE-OD2 2.8Å; R1296-D1353 IonicContact NH2-OD2 2.81Å; R1296-D1353 PolarHBondContact NH2-OD2 3.38Å; K1329-D1353 WeakPolarHBondContact CD-O 3.5Å; K1329-D1353 WeakPolarHBondContact CE-O 3.44Å; K1329-D1353 PolarHBondContact NZ-O 3.1Å; F1351-D1353 HydrophobicContact CE1-CB 4.02Å; D1353-L1532 HydrophobicContact CB-CD1 4.35Å |
| 1354 | V | 91 | Very high | 86.3 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.9 | -171.8 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | T1297 I1299 K1329 L1352 L1356 | T1297-V1354 PolarHBondContact N-O 3.48Å; T1297-V1354 PolarHBondContact O-N 3.17Å; T1297-V1354 VanDerWaalsContact O-O 3.1Å; I1299-V1354 HydrophobicContact CD1-CG1 3.82Å; I1299-V1354 HydrophobicContact CG1-CG1 4.11Å; K1329-V1354 HydrophobicContact CB-CG2 4.39Å; K1329-V1354 HydrophobicContact CD-CB 4.08Å; K1329-V1354 HydrophobicContact CD-CG2 4.24Å; K1329-V1354 HydrophobicContact CG-CG2 4.29Å; L1352-V1354 HydrophobicContact CB-CG1 4.41Å; V1354-L1356 HydrophobicContact CB-CG 4.5Å; V1354-L1356 HydrophobicContact CG1-CD1 3.79Å; V1354-L1356 HydrophobicContact CG1-CD2 4.27Å; V1354-L1356 HydrophobicContact CG1-CG 3.75Å; V1354-L1356 HydrophobicContact CG2-CD2 3.96Å; V1354-L1356 HydrophobicContact CG2-CG 4.14Å; V1354-L1356 PolarHBondContact O-N 3.36Å |
| 1355 | L | 89.8 | Confident | 85.7 | Confident | 100 Ų | 100 | 43.8 Ų | 43.8 | 52% | 0.524 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.2 | 171.2 | -70.3 | 172 | 0 | 0 | 0 | 107.9 | L1294 R1296 | L1294-L1355 HydrophobicContact CB-CB 4.22Å; L1294-L1355 HydrophobicContact CD1-CB 4.13Å; R1296-L1355 HydrophobicContact CB-CD2 4.16Å |
| 1356 | L | 88.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 152.8 | 178.9 | -66.6 | 177.6 | 0 | 0 | 0 | 110.6 | L1294 Q1295 T1297 I1299 I1326 V1354 K1358 L1363 P1364 | L1294-L1356 CarbonylContact C-O 3.57Å; L1294-L1356 WeakPolarHBondContact CA-O 3.44Å; Q1295-L1356 PolarHBondContact N-O 3.43Å; Q1295-L1356 PolarHBondContact O-N 3.44Å; T1297-L1356 HydrophobicContact CG2-CD1 4.08Å; I1299-L1356 HydrophobicContact CD1-CD1 4.01Å; I1299-L1356 HydrophobicContact CG1-CD1 4.47Å; I1326-L1356 HydrophobicContact CD1-CD1 4.01Å; I1326-L1356 HydrophobicContact CD1-CD2 4.05Å; I1326-L1356 HydrophobicContact CG1-CD2 3.99Å; V1354-L1356 HydrophobicContact CB-CG 4.5Å; V1354-L1356 HydrophobicContact CG1-CD1 3.79Å; V1354-L1356 HydrophobicContact CG1-CD2 4.27Å; V1354-L1356 HydrophobicContact CG1-CG 3.75Å; V1354-L1356 HydrophobicContact CG2-CD2 3.96Å; V1354-L1356 HydrophobicContact CG2-CG 4.14Å; V1354-L1356 PolarHBondContact O-N 3.36Å; L1356-K1358 PolarHBondContact O-N 2.81Å; L1356-L1363 HydrophobicContact CB-CD2 3.91Å; L1356-L1363 HydrophobicContact CD1-CD2 4.21Å; L1356-P1364 HydrophobicContact CD2-CG 3.86Å |
| 1357 | P | 86.8 | Confident | 85.4 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 136.4 | 174.1 | -31.1 | 39.4 | 0 | 0 | 0 | 113.2 | P1292 V1293 L1294 Y1362 | P1292-P1357 HydrophobicContact CB-CB 3.7Å; P1292-P1357 HydrophobicContact CB-CG 3.75Å; P1292-P1357 HydrophobicContact CG-CG 4.39Å; V1293-P1357 CarbonylContact O-C 3.53Å; V1293-P1357 WeakPolarHBondContact O-CA 3.14Å; L1294-P1357 HydrophobicContact CD2-CG 3.88Å; P1357-Y1362 WeakPolarHBondContact CG-O 3.33Å |
| 1358 | K | 80.2 | Confident | 85.5 | Confident | 142 Ų | 142 | 37.5 Ų | 37.5 | 62% | 0.617 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -67.7 | -39.3 | 174.5 | -177.9 | 172.2 | -177.7 | -178.5 | 0 | 111.5 | V1293 Q1295 L1356 | V1293-K1358 PolarHBondContact O-N 3.32Å; Q1295-K1358 HydrophobicContact CB-CB 4.45Å; Q1295-K1358 HydrophobicContact CG-CB 4.2Å; L1356-K1358 PolarHBondContact O-N 2.81Å |
| 1359 | E | 75.3 | Confident | 85.4 | Confident | 92 Ų | 92 | 37.8 Ų | 37.8 | 43% | 0.43 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -82.1 | 129.7 | 176.6 | -62.3 | 136.9 | 155.1 | 0 | 0 | 110.4 | I1361 Y1362 | E1359-I1361 VanDerWaalsContact C-N 3.29Å; E1359-I1361 HydrophobicContact CB-CG1 4.23Å; E1359-I1361 PolarHBondContact O-N 3.47Å; E1359-Y1362 HydrophobicContact CB-CD2 3.74Å; E1359-Y1362 HydrophobicContact CB-CE2 4.07Å; E1359-Y1362 PolarHBondContact O-N 2.84Å; E1359-Y1362 VanDerWaalsContact O-N 3.12Å; E1359-Y1362 WeakPolarHBondContact OE2-CD2 3.45Å; E1359-Y1362 WeakPolarHBondContact OE2-CE2 3.13Å |
| 1360 | E | 70.8 | Confident | 85.5 | Confident | 84 Ų | 84 | 34.5 Ų | 34.5 | 39% | 0.393 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -60.9 | -37.5 | -175.2 | 176.8 | 148.9 | -125.6 | 0 | 0 | 113.6 | Y1362 L1363 K1394 | E1360-Y1362 PolarHBondContact O-N 3.12Å; E1360-L1363 HydrophobicContact CG-CD1 4.39Å; E1360-L1363 PolarHBondContact O-N 2.56Å; E1360-L1363 VanDerWaalsContact O-N 3.11Å; E1360-K1394 VanDerWaalsContact CG-NZ 3.35Å; E1360-K1394 IonicContact OE1-NZ 3.87Å; E1360-K1394 PolarHBondContact OE1-NZ 3.1Å; E1360-K1394 IonicContact OE2-NZ 2.74Å; E1360-K1394 PolarHBondContact OE2-NZ 3.45Å |
| 1361 | I | 71.6 | Confident | 85.5 | Confident | 91 Ų | 91 | 36.5 Ų | 36.5 | 47% | 0.467 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -59.7 | -14.2 | 179.2 | 60.6 | 167.5 | 0 | 0 | 0 | 112.7 | W1246 E1359 | W1246-I1361 PolarHBondContact NE1-O 3.37Å; E1359-I1361 VanDerWaalsContact C-N 3.29Å; E1359-I1361 HydrophobicContact CB-CG1 4.23Å; E1359-I1361 PolarHBondContact O-N 3.47Å |
| 1362 | Y | 77.4 | Confident | 85.5 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -108.4 | -3.1 | -179.4 | -58.3 | -43.1 | 0 | 0 | 0 | 114.7 | Q1143 V1243 L1244 L1260 P1292 P1357 E1359 E1360 | Q1143-Y1362 PolarHBondContact NE2-O 3.07Å; V1243-Y1362 WeakPolarHBondContact CG1-OH 3.41Å; L1244-Y1362 HydrophobicContact CB-CD1 4.42Å; L1244-Y1362 HydrophobicContact CB-CE1 3.71Å; L1244-Y1362 WeakPolarHBondContact O-CE1 3.48Å; L1244-Y1362 PolarHBondContact O-OH 3.27Å; L1260-Y1362 HydrophobicContact CD1-CD1 4.04Å; L1260-Y1362 HydrophobicContact CD1-CE1 4.06Å; L1260-Y1362 HydrophobicContact CD2-CD1 3.65Å; L1260-Y1362 HydrophobicContact CD2-CE1 4.38Å; L1260-Y1362 HydrophobicContact CG-CD1 4.45Å; P1292-Y1362 HydrophobicContact CB-CD2 3.56Å; P1292-Y1362 HydrophobicContact CB-CE2 4.44Å; P1292-Y1362 HydrophobicContact CB-CG 3.76Å; P1292-Y1362 VanDerWaalsContact CG-CB 3.48Å; P1292-Y1362 HydrophobicContact CG-CD1 4.14Å; P1292-Y1362 HydrophobicContact CG-CD2 3.74Å; P1292-Y1362 HydrophobicContact CG-CE2 4.49Å; P1292-Y1362 HydrophobicContact CG-CG 3.52Å; P1357-Y1362 WeakPolarHBondContact CG-O 3.33Å; E1359-Y1362 HydrophobicContact CB-CD2 3.74Å; E1359-Y1362 HydrophobicContact CB-CE2 4.07Å; E1359-Y1362 PolarHBondContact O-N 2.84Å; E1359-Y1362 VanDerWaalsContact O-N 3.12Å; E1359-Y1362 WeakPolarHBondContact OE2-CD2 3.45Å; E1359-Y1362 WeakPolarHBondContact OE2-CE2 3.13Å; E1360-Y1362 PolarHBondContact O-N 3.12Å |
| 1363 | L | 79.5 | Confident | 85.5 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 125.4 | -177.9 | -77.3 | 169.5 | 0 | 0 | 0 | 110.7 | L1356 E1360 F1390 K1394 | L1356-L1363 HydrophobicContact CB-CD2 3.91Å; L1356-L1363 HydrophobicContact CD1-CD2 4.21Å; E1360-L1363 HydrophobicContact CG-CD1 4.39Å; E1360-L1363 PolarHBondContact O-N 2.56Å; E1360-L1363 VanDerWaalsContact O-N 3.11Å; L1363-F1390 HydrophobicContact CB-CD2 3.94Å; L1363-F1390 HydrophobicContact CB-CE2 4.1Å; L1363-F1390 HydrophobicContact CD1-CB 4.16Å; L1363-F1390 HydrophobicContact CD1-CD2 4.02Å; L1363-F1390 HydrophobicContact CD1-CG 4.34Å; L1363-K1394 VanDerWaalsContact CD1-CE 3.49Å |
| 1364 | P | 79.8 | Confident | 85.4 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 146.6 | 172.8 | 29.9 | -34 | 0 | 0 | 0 | 108.8 | I1181 I1326 L1356 F1390 | I1181-P1364 HydrophobicContact CD1-CB 4.16Å; I1326-P1364 HydrophobicContact CG1-CG 4.04Å; L1356-P1364 HydrophobicContact CD2-CG 3.86Å; P1364-F1390 WeakPolarHBondContact O-CE2 3.33Å; P1364-F1390 VanDerWaalsContact O-CZ 3.23Å; P1364-F1390 WeakPolarHBondContact O-CZ 3.45Å |
| 1365 | P | 83.7 | Confident | 85 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -66 | 159.3 | 174.7 | 30.3 | -35.2 | 0 | 0 | 0 | 111.2 | R1145 C1179 V1386 L1387 T1388 | R1145-P1365 HydrophobicContact CB-CG 4.15Å; C1179-P1365 HydrophobicContact CB-CB 4.43Å; C1179-P1365 HydrophobicContact CB-CG 3.28Å; C1179-P1365 WeakPolarHBondContact SG-CG 3.43Å; P1365-V1386 HydrophobicContact CB-CG1 3.89Å; P1365-L1387 CarbonylContact C-O 3.52Å; P1365-L1387 WeakPolarHBondContact CA-O 3.42Å; P1365-L1387 VanDerWaalsContact CB-O 3.3Å; P1365-L1387 WeakPolarHBondContact CB-O 3.42Å; P1365-T1388 HydrophobicContact CB-CG2 4.03Å |
| 1366 | M | 88.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121 | 176.7 | -179.2 | 167.6 | 52.2 | 0 | 0 | 110.1 | F1324 E1325 I1326 L1387 F1390 F1527 | F1324-M1366 HydrophobicContact CD1-SD 4.36Å; E1325-M1366 CarbonylContact O-C 3.57Å; E1325-M1366 WeakPolarHBondContact O-CA 3.24Å; I1326-M1366 HydrophobicContact CB-CB 4.14Å; I1326-M1366 HydrophobicContact CB-CG 4.15Å; I1326-M1366 HydrophobicContact CD1-CB 4.17Å; I1326-M1366 HydrophobicContact CG1-CB 4.36Å; M1366-L1387 HydrophobicContact CB-CB 4.34Å; M1366-L1387 HydrophobicContact CE-CB 4.49Å; M1366-L1387 HydrophobicContact CE-CD2 3.6Å; M1366-L1387 PolarHBondContact N-O 2.54Å; M1366-L1387 PolarHBondContact O-N 3.25Å; M1366-F1390 HydrophobicContact CB-CE1 3.96Å; M1366-F1390 HydrophobicContact CB-CZ 3.96Å; M1366-F1390 HydrophobicContact CE-CE1 4.25Å; M1366-F1527 HydrophobicContact CE-CD1 3.58Å; M1366-F1527 HydrophobicContact CE-CD2 3.74Å; M1366-F1527 HydrophobicContact CE-CE1 3.26Å; M1366-F1527 HydrophobicContact CE-CE2 3.44Å; M1366-F1527 VanDerWaalsContact CE-CE2 3.44Å; M1366-F1527 HydrophobicContact CE-CG 3.81Å; M1366-F1527 HydrophobicContact CE-CZ 3.2Å; M1366-F1527 HydrophobicContact SD-CD1 4.24Å; M1366-F1527 HydrophobicContact SD-CE1 3.84Å; M1366-F1527 HydrophobicContact SD-CZ 4.22Å |
| 1367 | N | 86.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 129.7 | 173.9 | -59.1 | -37.5 | 0 | 0 | 0 | 109.4 | F1324 E1325 | F1324-N1367 WeakPolarHBondContact CA-O 3.41Å; E1325-N1367 HydrophobicContact CB-CB 4.25Å; E1325-N1367 PolarHBondContact N-O 3.43Å; E1325-N1367 PolarHBondContact O-N 2.82Å; E1325-N1367 PolarHBondContact OE2-ND2 2.79Å |
| 1368 | I | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 99.6 | 175.8 | -52.4 | 175.6 | 0 | 0 | 0 | 107 | V1322 F1324 V1384 H1385 F1504 F1523 F1527 | V1322-I1368 HydrophobicContact CG1-CG2 3.63Å; F1324-I1368 HydrophobicContact CD1-CG1 4Å; F1324-I1368 HydrophobicContact CD1-CG2 4.26Å; F1324-I1368 HydrophobicContact CE1-CD1 4.4Å; F1324-I1368 HydrophobicContact CE1-CG1 4.15Å; F1324-I1368 HydrophobicContact CE1-CG2 3.87Å; I1368-V1384 CarbonylContact O-C 3.59Å; I1368-V1384 WeakPolarHBondContact O-CA 3.27Å; I1368-H1385 HydrophobicContact CB-CB 4.3Å; I1368-H1385 PolarHBondContact N-O 3Å; I1368-H1385 PolarHBondContact O-N 2.75Å; I1368-F1504 HydrophobicContact CD1-CD2 4.41Å; I1368-F1504 HydrophobicContact CD1-CG 4.34Å; I1368-F1523 HydrophobicContact CD1-CD1 4.13Å; I1368-F1523 HydrophobicContact CD1-CE1 4.19Å; I1368-F1523 HydrophobicContact CG2-CD1 3.65Å; I1368-F1523 HydrophobicContact CG2-CE1 4.03Å; I1368-F1523 HydrophobicContact CG2-CG 4.02Å; I1368-F1527 HydrophobicContact CD1-CE2 4.29Å; I1368-F1527 HydrophobicContact CD1-CZ 3.82Å |
| 1369 | C | 90.1 | Very high | 84.6 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.3 | -172.6 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | V1322 E1323 | V1322-C1369 CarbonylContact C-O 3.54Å; V1322-C1369 WeakPolarHBondContact CA-O 3.42Å; E1323-C1369 HydrophobicContact CB-CB 4.3Å; E1323-C1369 PolarHBondContact N-O 2.67Å; E1323-C1369 PolarHBondContact O-N 3.23Å |
| 1370 | V | 94.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.5 | 175.9 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | V1306 M1309 P1320 S1321 V1322 M1381 V1382 G1383 L1506 | V1306-V1370 HydrophobicContact CG1-CG1 4.27Å; V1306-V1370 HydrophobicContact CG1-CG2 4.45Å; M1309-V1370 HydrophobicContact CE-CB 4.43Å; M1309-V1370 HydrophobicContact CE-CG1 3.93Å; P1320-V1370 HydrophobicContact CB-CG1 3.83Å; S1321-V1370 WeakPolarHBondContact O-CA 3.3Å; V1322-V1370 HydrophobicContact CG2-CG2 3.98Å; V1370-M1381 CarbonylContact O-C 3.5Å; V1370-M1381 WeakPolarHBondContact O-CA 3.38Å; V1370-V1382 HydrophobicContact CB-CG2 4.11Å; V1370-V1382 HydrophobicContact CG1-CG2 3.79Å; V1370-V1382 WeakPolarHBondContact O-CG2 3.3Å; V1370-V1382 PolarHBondContact O-N 3.07Å; V1370-G1383 PolarHBondContact N-O 3.36Å; V1370-L1506 HydrophobicContact CB-CD1 4.33Å; V1370-L1506 HydrophobicContact CG2-CD1 3.55Å; V1370-L1506 HydrophobicContact CG2-CD2 3.91Å; V1370-L1506 HydrophobicContact CG2-CG 4.41Å |
| 1371 | R | 92.7 | Very high | 86 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 28% | 0.275 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.5 | 175.3 | -62.7 | -165.3 | -172.5 | -119.9 | 3.4 | 111.7 | P1320 S1321 E1323 P1380 M1381 | P1320-R1371 CarbonylContact C-O 3.19Å; P1320-R1371 WeakPolarHBondContact CA-O 3.41Å; S1321-R1371 PolarHBondContact N-O 3.17Å; S1321-R1371 PolarHBondContact O-N 2.94Å; E1323-R1371 WeakPolarHBondContact OE1-CD 3.34Å; E1323-R1371 IonicContact OE1-CZ 3.66Å; E1323-R1371 IonicContact OE1-NE 2.98Å; E1323-R1371 PolarHBondContact OE1-NE 2.93Å; E1323-R1371 IonicContact OE1-NH2 2.79Å; E1323-R1371 IonicContact OE2-CZ 2.83Å; E1323-R1371 IonicContact OE2-NE 3.91Å; E1323-R1371 PolarHBondContact OE2-NE 3.06Å; E1323-R1371 IonicContact OE2-NH2 3.94Å; E1323-R1371 PolarHBondContact OE2-NH2 3.37Å; R1371-P1380 CarbonylContact C-O 3.59Å; R1371-P1380 VanDerWaalsContact CA-O 3.29Å; R1371-P1380 WeakPolarHBondContact CA-O 3.17Å; R1371-M1381 HydrophobicContact CG-CB 4.44Å |
| 1372 | D | 93.6 | Very high | 86.8 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.6 | 178.1 | -176 | 42.9 | 0 | 0 | 0 | 110.9 | V1317 N1318 S1319 R1374 K1379 P1380 V1382 | V1317-D1372 HydrophobicContact CG1-CB 4.02Å; N1318-D1372 PolarHBondContact N-OD1 2.78Å; S1319-D1372 PolarHBondContact N-OD1 3.09Å; D1372-R1374 PolarHBondContact O-N 3.49Å; D1372-R1374 IonicContact OD2-CZ 2.77Å; D1372-R1374 IonicContact OD2-NE 3.11Å; D1372-R1374 PolarHBondContact OD2-NE 3.01Å; D1372-R1374 IonicContact OD2-NH2 3.55Å; D1372-R1374 PolarHBondContact OD2-NH2 3.11Å; D1372-K1379 WeakPolarHBondContact O-CA 3.44Å; D1372-P1380 PolarHBondContact N-O 3.08Å; D1372-P1380 VanDerWaalsContact O-CD 3.24Å; D1372-P1380 WeakPolarHBondContact O-CD 3.3Å; D1372-V1382 HydrophobicContact CB-CG1 3.64Å; D1372-V1382 HydrophobicContact CB-CG2 4.36Å |
| 1373 | H | 92.8 | Very high | 87.3 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | trans | -85.8 | 106.5 | -178.8 | -69.3 | -113.3 | 0 | 0 | 0 | 110.8 | S1319 S1321 I1335 | S1319-H1373 WeakPolarHBondContact CB-O 3.42Å; S1319-H1373 WeakPolarHBondContact O-CB 3.34Å; S1319-H1373 PolarHBondContact O-CD2 3.49Å; S1319-H1373 PolarHBondContact O-N 3.22Å; S1321-H1373 PolarHBondContact OG-NE2 3.31Å; I1335-H1373 VanDerWaalsContact CD1-CE1 3.48Å; I1335-H1373 WeakPolarHBondContact CD1-CE1 3.45Å; I1335-H1373 WeakPolarHBondContact CD1-ND1 3.45Å; I1335-H1373 HydrophobicContact CG2-CB 4.37Å | ||
| 1374 | R | 88.3 | Confident | 87.7 | Confident | 59 Ų | 59 | 42 Ų | 42 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | trans | -105.5 | 173.9 | -175.3 | -61.5 | -179 | 177 | -168.8 | -3.9 | 112.1 | Y1312 D1372 Q1378 | Y1312-R1374 PolarHBondContact O-NH1 3.16Å; Y1312-R1374 PolarHBondContact O-NH2 3.44Å; D1372-R1374 PolarHBondContact O-N 3.49Å; D1372-R1374 IonicContact OD2-CZ 2.77Å; D1372-R1374 IonicContact OD2-NE 3.11Å; D1372-R1374 PolarHBondContact OD2-NE 3.01Å; D1372-R1374 IonicContact OD2-NH2 3.55Å; D1372-R1374 PolarHBondContact OD2-NH2 3.11Å; R1374-Q1378 HydrophobicContact CB-CB 4.2Å; R1374-Q1378 PolarHBondContact N-O 2.89Å | ||
| 1375 | A | 83.7 | Confident | 88.2 | Confident | 70 Ų | 70 | 43.7 Ų | 43.7 | 58% | 0.579 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -57.1 | 155.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1377 | A1375-G1377 PolarHBondContact O-N 3.03Š|
| 1376 | F | 85.6 | Confident | 88.2 | Confident | 207 Ų | 207 | 44.8 Ų | 44.8 | 91% | 0.908 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | 60.5 | 23.2 | -178.8 | -48.4 | -77 | 0 | 0 | 0 | 115.1 | Q1378 | F1376-Q1378 VanDerWaalsContact C-N 3.31Å; F1376-Q1378 PolarHBondContact O-N 2.82Å |
| 1377 | G | 80.8 | Confident | 88.1 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | 77.4 | 11.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1375 K1379 | A1375-G1377 PolarHBondContact O-N 3.03Å; G1377-K1379 PolarHBondContact O-N 3.33Å |
| 1378 | Q | 82.5 | Confident | 87.6 | Confident | 121 Ų | 121 | 47 Ų | 47 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | trans | -71.1 | 127.7 | 175.2 | -68.4 | -169.8 | 3.6 | 0 | 0 | 110.9 | R1374 F1376 P1380 | R1374-Q1378 HydrophobicContact CB-CB 4.2Å; R1374-Q1378 PolarHBondContact N-O 2.89Å; F1376-Q1378 VanDerWaalsContact C-N 3.31Å; F1376-Q1378 PolarHBondContact O-N 2.82Å; Q1378-P1380 VanDerWaalsContact C-CD 3.46Å | ||
| 1379 | K | 87.1 | Confident | 87.1 | Confident | 104 Ų | 104 | 51.2 Ų | 51.2 | 45% | 0.452 | 27% | 0.273 | S | S | . | . | trans | -125 | 62.2 | 176.5 | 56.5 | 168.9 | -174.3 | 170 | 0 | 113 | D1372 G1377 | D1372-K1379 WeakPolarHBondContact O-CA 3.44Å; G1377-K1379 PolarHBondContact O-N 3.33Å | ||
| 1380 | P | 88.4 | Confident | 86.8 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 17% | 0.169 | 27% | 0.268 | C | S | . | . | trans | -59.4 | 141.3 | 178.1 | 25.5 | -36.4 | 0 | 0 | 0 | 111.8 | Y1312 R1371 D1372 Q1378 | Y1312-P1380 HydrophobicContact CD1-CB 4.08Å; Y1312-P1380 HydrophobicContact CD1-CG 4.32Å; Y1312-P1380 HydrophobicContact CE1-CB 3.51Å; Y1312-P1380 HydrophobicContact CE1-CG 4.19Å; R1371-P1380 CarbonylContact C-O 3.59Å; R1371-P1380 VanDerWaalsContact CA-O 3.29Å; R1371-P1380 WeakPolarHBondContact CA-O 3.17Å; D1372-P1380 PolarHBondContact N-O 3.08Å; D1372-P1380 VanDerWaalsContact O-CD 3.24Å; D1372-P1380 WeakPolarHBondContact O-CD 3.3Å; Q1378-P1380 VanDerWaalsContact C-CD 3.46Å | ||
| 1381 | M | 86.5 | Confident | 86.1 | Confident | 37 Ų | 37 | 57 Ų | 57 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 125.6 | 165.3 | -173.7 | -115.9 | -70.5 | 0 | 0 | 108.5 | L1155 V1370 R1371 V1384 | L1155-M1381 HydrophobicContact CD1-CE 3.3Å; L1155-M1381 HydrophobicContact CG-CE 3.86Å; V1370-M1381 CarbonylContact O-C 3.5Å; V1370-M1381 WeakPolarHBondContact O-CA 3.38Å; R1371-M1381 HydrophobicContact CG-CB 4.44Å; M1381-V1384 HydrophobicContact SD-CB 4.22Å |
| 1382 | V | 89 | Confident | 85.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -14.4 | -170.7 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | M1309 Y1312 V1317 V1370 D1372 A1520 | M1309-V1382 HydrophobicContact CE-CG2 3.64Å; Y1312-V1382 HydrophobicContact CD1-CG1 3.96Å; Y1312-V1382 HydrophobicContact CD2-CG1 4.39Å; Y1312-V1382 HydrophobicContact CG-CB 4.36Å; Y1312-V1382 HydrophobicContact CG-CG1 3.79Å; V1317-V1382 HydrophobicContact CG1-CG2 4.23Å; V1317-V1382 HydrophobicContact CG2-CB 3.95Å; V1317-V1382 HydrophobicContact CG2-CG1 3.94Å; V1317-V1382 HydrophobicContact CG2-CG2 3.98Å; V1370-V1382 HydrophobicContact CB-CG2 4.11Å; V1370-V1382 HydrophobicContact CG1-CG2 3.79Å; V1370-V1382 WeakPolarHBondContact O-CG2 3.3Å; V1370-V1382 PolarHBondContact O-N 3.07Å; D1372-V1382 HydrophobicContact CB-CG1 3.64Å; D1372-V1382 HydrophobicContact CB-CG2 4.36Å; V1382-A1520 WeakPolarHBondContact O-CB 3.41Å |
| 1383 | G | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 154.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1370 S1507 | V1370-G1383 PolarHBondContact N-O 3.36Å; G1383-S1507 WeakPolarHBondContact CA-O 3.23Å |
| 1384 | V | 87.7 | Confident | 85 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.7 | -179.1 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | L1155 I1368 M1381 L1506 S1507 | L1155-V1384 HydrophobicContact CD2-CG1 4.27Å; I1368-V1384 CarbonylContact O-C 3.59Å; I1368-V1384 WeakPolarHBondContact O-CA 3.27Å; M1381-V1384 HydrophobicContact SD-CB 4.22Å; V1384-L1506 WeakPolarHBondContact O-CA 3.36Å; V1384-S1507 PolarHBondContact N-O 2.9Å; V1384-S1507 PolarHBondContact O-N 2.85Å |
| 1385 | H | 89 | Confident | 84.8 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 20% | 0.199 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.8 | 166.2 | -175.9 | 88.9 | 0 | 0 | 0 | 109.6 | I1368 F1504 T1505 L1506 | I1368-H1385 HydrophobicContact CB-CB 4.3Å; I1368-H1385 PolarHBondContact N-O 3Å; I1368-H1385 PolarHBondContact O-N 2.75Å; H1385-F1504 HydrophobicContact CB-CB 4.42Å; H1385-F1504 AromaticContact CD2-CD1 3.79Å; H1385-F1504 AromaticContact NE2-CD1 3.51Å; H1385-T1505 PolarHBondContact ND1-O 3.27Å; H1385-L1506 HydrophobicContact CB-CD2 4.01Å |
| 1386 | V | 83.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 111.6 | -179.9 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | C1179 P1365 T1388 | C1179-V1386 WeakPolarHBondContact SG-CG1 3.02Å; P1365-V1386 HydrophobicContact CB-CG1 3.89Å; V1386-T1388 HydrophobicContact CG1-CG2 4.14Å |
| 1387 | L | 86.2 | Confident | 84.4 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118 | 176.4 | -177.5 | 67.8 | 0 | 0 | 0 | 110.4 | P1365 M1366 D1389 F1390 F1393 F1504 F1527 | P1365-L1387 CarbonylContact C-O 3.52Å; P1365-L1387 WeakPolarHBondContact CA-O 3.42Å; P1365-L1387 VanDerWaalsContact CB-O 3.3Å; P1365-L1387 WeakPolarHBondContact CB-O 3.42Å; M1366-L1387 HydrophobicContact CB-CB 4.34Å; M1366-L1387 HydrophobicContact CE-CB 4.49Å; M1366-L1387 HydrophobicContact CE-CD2 3.6Å; M1366-L1387 PolarHBondContact N-O 2.54Å; M1366-L1387 PolarHBondContact O-N 3.25Å; L1387-D1389 WeakPolarHBondContact CD1-O 3.23Å; L1387-F1390 HydrophobicContact CD2-CD1 4.1Å; L1387-F1390 HydrophobicContact CD2-CE1 3.98Å; L1387-F1390 HydrophobicContact CG-CE1 4.36Å; L1387-F1393 HydrophobicContact CD1-CE2 3.96Å; L1387-F1393 HydrophobicContact CD2-CD2 3.92Å; L1387-F1393 HydrophobicContact CD2-CE2 3.63Å; L1387-F1393 HydrophobicContact CD2-CZ 4.44Å; L1387-F1393 HydrophobicContact CG-CE2 4.37Å; L1387-F1504 HydrophobicContact CD1-CE1 4.09Å; L1387-F1527 HydrophobicContact CD2-CD2 3.97Å; L1387-F1527 HydrophobicContact CD2-CE2 3.88Å |
| 1388 | T | 76.9 | Confident | 84.2 | Confident | 47 Ų | 47 | 48.9 Ų | 48.9 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | trans | -107.8 | -25.5 | -178.2 | 53.2 | 0 | 0 | 0 | 0 | 114 | R1145 P1365 V1386 | R1145-T1388 HydrophobicContact CB-CG2 4.46Å; P1365-T1388 HydrophobicContact CB-CG2 4.03Å; V1386-T1388 HydrophobicContact CG1-CG2 4.14Å | ||
| 1389 | D | 80 | Confident | 83.6 | Confident | 89 Ų | 89 | 49.6 Ų | 49.6 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | trans | -104.3 | 119.3 | 178.3 | -177.5 | 9.6 | 0 | 0 | 0 | 110.4 | L1387 Q1391 | L1387-D1389 WeakPolarHBondContact CD1-O 3.23Å; D1389-Q1391 VanDerWaalsContact OD1-CB 3.26Å; D1389-Q1391 WeakPolarHBondContact OD1-CB 3.37Å; D1389-Q1391 PolarHBondContact OD1-N 3.01Å | ||
| 1390 | F | 84.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | trans | -104.8 | -3.8 | -178.1 | -64.1 | -79 | 0 | 0 | 0 | 113.2 | I1326 L1363 P1364 M1366 L1387 A1392 F1393 K1394 I1529 | I1326-F1390 HydrophobicContact CD1-CE1 3.9Å; I1326-F1390 HydrophobicContact CD1-CZ 3.7Å; L1363-F1390 HydrophobicContact CB-CD2 3.94Å; L1363-F1390 HydrophobicContact CB-CE2 4.1Å; L1363-F1390 HydrophobicContact CD1-CB 4.16Å; L1363-F1390 HydrophobicContact CD1-CD2 4.02Å; L1363-F1390 HydrophobicContact CD1-CG 4.34Å; P1364-F1390 WeakPolarHBondContact O-CE2 3.33Å; P1364-F1390 VanDerWaalsContact O-CZ 3.23Å; P1364-F1390 WeakPolarHBondContact O-CZ 3.45Å; M1366-F1390 HydrophobicContact CB-CE1 3.96Å; M1366-F1390 HydrophobicContact CB-CZ 3.96Å; M1366-F1390 HydrophobicContact CE-CE1 4.25Å; L1387-F1390 HydrophobicContact CD2-CD1 4.1Å; L1387-F1390 HydrophobicContact CD2-CE1 3.98Å; L1387-F1390 HydrophobicContact CG-CE1 4.36Å; F1390-A1392 VanDerWaalsContact C-N 3.27Å; F1390-A1392 PolarHBondContact O-N 3.14Å; F1390-F1393 PolarHBondContact O-N 3.47Å; F1390-K1394 PolarHBondContact O-N 2.82Å; F1390-I1529 HydrophobicContact CB-CD1 4.15Å; F1390-I1529 HydrophobicContact CD1-CD1 3.43Å; F1390-I1529 VanDerWaalsContact CD1-CD1 3.43Å; F1390-I1529 HydrophobicContact CE1-CD1 4.2Å; F1390-I1529 HydrophobicContact CG-CD1 4.15Å | ||
| 1391 | Q | 80.2 | Confident | 81.2 | Confident | 136 Ų | 136 | 51.9 Ų | 51.9 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -59.7 | -40 | -169.2 | -167.7 | 173.4 | -5.6 | 0 | 0 | 111.5 | D1389 F1393 | D1389-Q1391 VanDerWaalsContact OD1-CB 3.26Å; D1389-Q1391 WeakPolarHBondContact OD1-CB 3.37Å; D1389-Q1391 PolarHBondContact OD1-N 3.01Å; Q1391-F1393 PolarHBondContact O-N 3.03Å |
| 1392 | A | 81 | Confident | 79.6 | Confident | 83 Ų | 83 | 54.3 Ų | 54.3 | 69% | 0.686 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -67.7 | -14.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1390 | F1390-A1392 VanDerWaalsContact C-N 3.27Å; F1390-A1392 PolarHBondContact O-N 3.14Å |
| 1393 | F | 88.6 | Confident | 77.5 | Confident | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.057 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -110.5 | -9.1 | -174 | -54.2 | -67.3 | 0 | 0 | 0 | 114 | L1387 F1390 Q1391 N1502 F1504 F1527 R1528 I1529 | L1387-F1393 HydrophobicContact CD1-CE2 3.96Å; L1387-F1393 HydrophobicContact CD2-CD2 3.92Å; L1387-F1393 HydrophobicContact CD2-CE2 3.63Å; L1387-F1393 HydrophobicContact CD2-CZ 4.44Å; L1387-F1393 HydrophobicContact CG-CE2 4.37Å; F1390-F1393 PolarHBondContact O-N 3.47Å; Q1391-F1393 PolarHBondContact O-N 3.03Å; F1393-N1502 WeakPolarHBondContact CE1-OD1 3.41Å; F1393-F1504 HydrophobicContact CE1-CZ 4.42Å; F1393-F1504 HydrophobicContact CZ-CE1 4.25Å; F1393-F1504 AromaticContact CZ-CZ 3.91Å; F1393-F1504 HydrophobicContact CZ-CZ 3.91Å; F1393-F1527 HydrophobicContact CB-CB 3.94Å; F1393-F1527 HydrophobicContact CD1-CB 3.96Å; F1393-F1527 AromaticContact CD1-CD2 4Å; F1393-F1527 HydrophobicContact CD1-CD2 4Å; F1393-F1527 HydrophobicContact CD1-CG 4.48Å; F1393-F1527 HydrophobicContact CD2-CD2 4.31Å; F1393-F1527 HydrophobicContact CE1-CD2 4.01Å; F1393-F1527 HydrophobicContact CE2-CD2 4.35Å; F1393-F1527 HydrophobicContact CG-CB 3.95Å; F1393-F1527 HydrophobicContact CG-CD2 4.15Å; F1393-F1527 HydrophobicContact CZ-CD2 4.19Å; F1393-R1528 WeakPolarHBondContact O-CA 3.49Å; F1393-I1529 HydrophobicContact CB-CD1 4.14Å; F1393-I1529 HydrophobicContact CB-CG1 4.26Å; F1393-I1529 PolarHBondContact O-N 3.02Å |
| 1394 | K | 85.6 | Confident | 75.4 | Confident | 76 Ų | 76 | 64 Ų | 64 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 131.1 | 177.5 | -77.2 | 178.4 | 178 | 165.3 | 0 | 111.3 | E1360 L1363 F1390 I1529 | E1360-K1394 VanDerWaalsContact CG-NZ 3.35Å; E1360-K1394 IonicContact OE1-NZ 3.87Å; E1360-K1394 PolarHBondContact OE1-NZ 3.1Å; E1360-K1394 IonicContact OE2-NZ 2.74Å; E1360-K1394 PolarHBondContact OE2-NZ 3.45Å; L1363-K1394 VanDerWaalsContact CD1-CE 3.49Å; F1390-K1394 PolarHBondContact O-N 2.82Å; K1394-I1529 WeakPolarHBondContact CA-O 3.3Å; K1394-I1529 HydrophobicContact CG-CB 4.29Å; K1394-I1529 HydrophobicContact CG-CG2 4.49Å |
| 1395 | V | 84 | Confident | 73.3 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 22% | 0.218 | 40% | 0.396 | C | S | . | . | trans | -137.2 | 157.4 | 178.9 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | R1528 I1529 Y1530 Y1544 | V1395-R1528 HydrophobicContact CG2-CB 3.82Å; V1395-R1528 HydrophobicContact CG2-CG 4.38Å; V1395-I1529 PolarHBondContact N-O 3.23Å; V1395-Y1530 HydrophobicContact CG2-CD1 4.03Å; V1395-Y1530 WeakPolarHBondContact O-CB 3.47Å; V1395-Y1544 HydrophobicContact CB-CE2 4.24Å; V1395-Y1544 HydrophobicContact CG2-CD2 4Å; V1395-Y1544 HydrophobicContact CG2-CE2 3.48Å; V1395-Y1544 VanDerWaalsContact CG2-CE2 3.48Å | ||
| 1396 | P | 80.5 | Confident | 71.5 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 56% | 0.558 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -67 | 157.2 | 172.5 | 27 | -33.8 | 0 | 0 | 0 | 111.7 | R1398 Y1544 | P1396-R1398 PolarHBondContact O-N 3.24Å; P1396-Y1544 WeakPolarHBondContact O-CE2 3.35Å; P1396-Y1544 PolarHBondContact O-OH 2.67Å |
| 1397 | A | 80.9 | Confident | 70 | Confident | 38 Ų | 38 | 71.4 Ų | 71.4 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 127.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1530 P1541 | A1397-Y1530 HydrophobicContact CB-CD2 4.21Å; A1397-P1541 HydrophobicContact CB-CB 4.17Å; A1397-P1541 HydrophobicContact CB-CG 3.94Å |
| 1398 | R | 76.6 | Confident | 68.7 | Low | 38 Ų | 38 | 70.9 Ų | 70.9 | 14% | 0.143 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 123 | -175.5 | -170.7 | -179.5 | -178.4 | 171.5 | 10.2 | 111.9 | P1396 S1400 Q1401 I1542 R1543 Y1544 | P1396-R1398 PolarHBondContact O-N 3.24Å; R1398-S1400 WeakPolarHBondContact CG-O 3.28Å; R1398-S1400 PolarHBondContact NE-O 2.9Å; R1398-S1400 VanDerWaalsContact NE-O 3.12Å; R1398-Q1401 PolarHBondContact NH2-O 2.92Å; R1398-I1542 HydrophobicContact CB-CB 4.47Å; R1398-I1542 WeakPolarHBondContact CB-O 2.99Å; R1398-I1542 HydrophobicContact CG-CB 4.28Å; R1398-I1542 PolarHBondContact O-N 3.32Å; R1398-R1543 PolarHBondContact NH1-O 2.95Å; R1398-Y1544 HydrophobicContact CB-CE2 3.99Å |
| 1399 | T | 69.3 | Low | 67.8 | Low | 136 Ų | 136 | 72.1 Ų | 72.1 | 83% | 0.834 | 40% | 0.404 | S | S | * | . | trans | -104.4 | -15.2 | -176.2 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1400 | S | 65 | Low | 66.9 | Low | 37 Ų | 37 | 70.7 Ų | 70.7 | 26% | 0.259 | 40% | 0.398 | S | S | . | . | trans | -135.6 | 145.3 | -177 | 163.5 | 0 | 0 | 0 | 0 | 111.4 | R1398 T1402 | R1398-S1400 WeakPolarHBondContact CG-O 3.28Å; R1398-S1400 PolarHBondContact NE-O 2.9Å; R1398-S1400 VanDerWaalsContact NE-O 3.12Å; S1400-T1402 WeakPolarHBondContact CB-O 3.39Å; S1400-T1402 PolarHBondContact OG-N 3.39Å; S1400-T1402 PolarHBondContact OG-O 2.81Å; S1400-T1402 PolarHBondContact OG-OG1 3.05Å; S1400-T1402 VanDerWaalsContact OG-OG1 3.1Å | ||
| 1401 | Q | 60.9 | Low | 65.8 | Low | 142 Ų | 142 | 70.7 Ų | 70.7 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -66.9 | -42.7 | 172.8 | -74.9 | -173.3 | -11.5 | 0 | 0 | 111.3 | R1398 D1403 I1542 | R1398-Q1401 PolarHBondContact NH2-O 2.92Å; Q1401-D1403 PolarHBondContact O-N 2.81Å; Q1401-I1542 HydrophobicContact CG-CD1 3.91Å |
| 1402 | T | 53.1 | Low | 64.7 | Low | 88 Ų | 88 | 64.7 Ų | 64.7 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -72.1 | 114.1 | 168.9 | 18 | 0 | 0 | 0 | 0 | 108.6 | S1400 V1404 | S1400-T1402 WeakPolarHBondContact CB-O 3.39Å; S1400-T1402 PolarHBondContact OG-N 3.39Å; S1400-T1402 PolarHBondContact OG-O 2.81Å; S1400-T1402 PolarHBondContact OG-OG1 3.05Å; S1400-T1402 VanDerWaalsContact OG-OG1 3.1Å; T1402-V1404 PolarHBondContact O-N 2.91Å |
| 1403 | D | 45.4 | Very low | 63.8 | Low | 77 Ų | 77 | 64.6 Ų | 64.6 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | trans | -64 | 117.4 | 177.1 | -159.4 | -6.7 | 0 | 0 | 0 | 108.9 | Q1401 L1405 | Q1401-D1403 PolarHBondContact O-N 2.81Å; D1403-L1405 PolarHBondContact O-N 2.83Å; D1403-L1405 WeakPolarHBondContact OD1-CB 3.49Å; D1403-L1405 PolarHBondContact OD1-N 2.87Å | ||
| 1404 | V | 45 | Very low | 62.4 | Low | 127 Ų | 127 | 67.2 Ų | 67.2 | 77% | 0.77 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.8 | 174.3 | -167.5 | 0 | 0 | 0 | 0 | 109.7 | T1402 M1406 | T1402-V1404 PolarHBondContact O-N 2.91Å; V1404-M1406 PolarHBondContact O-N 3.36Å |
| 1405 | L | 43.8 | Very low | 60.9 | Low | 123 Ų | 123 | 63.9 Ų | 63.9 | 64% | 0.644 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.9 | -176.1 | -122.1 | 94.3 | 0 | 0 | 0 | 114.3 | D1403 | D1403-L1405 PolarHBondContact O-N 2.83Å; D1403-L1405 WeakPolarHBondContact OD1-CB 3.49Å; D1403-L1405 PolarHBondContact OD1-N 2.87Å |
| 1406 | M | 49.3 | Very low | 59.6 | Low | 45 Ų | 45 | 66.6 Ų | 66.6 | 22% | 0.222 | 38% | 0.379 | C | S | . | . | trans | -146.8 | 89.9 | -179.2 | -63.2 | -168.8 | 113.8 | 0 | 0 | 112 | V1404 V1410 L1411 I1414 Y1688 | V1404-M1406 PolarHBondContact O-N 3.36Å; M1406-V1410 HydrophobicContact CE-CG1 4.43Å; M1406-L1411 HydrophobicContact CB-CD1 4.05Å; M1406-L1411 HydrophobicContact CB-CG 3.97Å; M1406-L1411 HydrophobicContact CE-CB 4.34Å; M1406-L1411 HydrophobicContact CE-CD2 3.25Å; M1406-L1411 HydrophobicContact CE-CG 3.5Å; M1406-L1411 HydrophobicContact CG-CG 4.2Å; M1406-L1411 HydrophobicContact SD-CD1 4.23Å; M1406-L1411 HydrophobicContact SD-CD2 3.39Å; M1406-L1411 WeakPolarHBondContact SD-CD2 3.35Å; M1406-L1411 HydrophobicContact SD-CG 3.59Å; M1406-L1411 VanDerWaalsContact SD-CG 3.59Å; M1406-I1414 HydrophobicContact CE-CD1 3.39Å; M1406-Y1688 HydrophobicContact SD-CE1 4.45Å | ||
| 1407 | D | 52.9 | Low | 58.3 | Low | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 38% | 0.384 | S | S | . | . | trans | -58.2 | 146.8 | 145.6 | -166 | -2.6 | 0 | 0 | 0 | 107.1 | Q1409 V1410 L1411 | D1407-Q1409 HydrophobicContact CB-CB 4.29Å; D1407-Q1409 PolarHBondContact O-N 2.95Å; D1407-V1410 WeakPolarHBondContact O-CB 3.17Å; D1407-V1410 PolarHBondContact O-N 3.48Å; D1407-L1411 PolarHBondContact O-N 2.82Å | ||
| 1408 | I | 60.3 | Low | 56.8 | Low | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.015 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -53 | -27.4 | 175.1 | -92.3 | 173.7 | 0 | 0 | 0 | 111 | L1411 T1412 L1690 V1709 R1712 F1714 L1744 | I1408-L1411 HydrophobicContact CG1-CD1 4.45Å; I1408-L1411 PolarHBondContact O-N 2.83Å; I1408-T1412 HydrophobicContact CG2-CG2 4.31Å; I1408-T1412 WeakPolarHBondContact O-CG2 3.21Å; I1408-T1412 PolarHBondContact O-N 2.78Å; I1408-T1412 PolarHBondContact O-OG1 3.03Å; I1408-L1690 HydrophobicContact CD1-CD1 4.06Å; I1408-L1690 HydrophobicContact CG1-CD1 4.05Å; I1408-V1709 HydrophobicContact CD1-CB 3.47Å; I1408-V1709 VanDerWaalsContact CD1-CB 3.47Å; I1408-V1709 HydrophobicContact CD1-CG1 3.17Å; I1408-R1712 HydrophobicContact CG2-CB 4.49Å; I1408-F1714 HydrophobicContact CG2-CE2 4.07Å; I1408-F1714 HydrophobicContact CG2-CZ 3.67Å; I1408-L1744 HydrophobicContact CG1-CD2 4.45Å |
| 1409 | Q | 58 | Low | 55.6 | Low | 73 Ų | 73 | 71.2 Ų | 71.2 | 34% | 0.341 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.2 | -49.4 | 170.3 | -170.4 | 56.5 | 41.7 | 0 | 0 | 112.7 | D1407 T1412 D1413 | D1407-Q1409 HydrophobicContact CB-CB 4.29Å; D1407-Q1409 PolarHBondContact O-N 2.95Å; Q1409-T1412 WeakPolarHBondContact CA-OG1 3.47Å; Q1409-T1412 PolarHBondContact O-N 2.94Å; Q1409-T1412 PolarHBondContact O-OG1 2.8Å; Q1409-D1413 VanDerWaalsContact NE2-CG 3.28Å; Q1409-D1413 PolarHBondContact NE2-OD1 2.78Å; Q1409-D1413 PolarHBondContact NE2-OD2 2.91Å; Q1409-D1413 WeakPolarHBondContact O-CB 3.4Å; Q1409-D1413 PolarHBondContact O-N 2.69Å |
| 1410 | V | 60.4 | Low | 54.6 | Low | 60 Ų | 60 | 69.3 Ų | 69.3 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | M1406 D1407 T1412 D1413 I1414 | M1406-V1410 HydrophobicContact CE-CG1 4.43Å; D1407-V1410 WeakPolarHBondContact O-CB 3.17Å; D1407-V1410 PolarHBondContact O-N 3.48Å; V1410-T1412 VanDerWaalsContact C-N 3.34Å; V1410-T1412 PolarHBondContact O-N 3.04Å; V1410-D1413 PolarHBondContact O-N 2.94Å; V1410-I1414 HydrophobicContact CG1-CD1 3.76Å; V1410-I1414 HydrophobicContact CG1-CG1 4.38Å; V1410-I1414 WeakPolarHBondContact O-CB 3.15Å; V1410-I1414 VanDerWaalsContact O-CG1 3.25Å; V1410-I1414 WeakPolarHBondContact O-CG1 3.44Å; V1410-I1414 PolarHBondContact O-N 3.04Å |
| 1411 | L | 60.5 | Low | 53.9 | Low | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 173.7 | -82.9 | 161 | 0 | 0 | 0 | 111.9 | M1406 D1407 I1408 A1415 Y1688 L1744 P1745 | M1406-L1411 HydrophobicContact CB-CD1 4.05Å; M1406-L1411 HydrophobicContact CB-CG 3.97Å; M1406-L1411 HydrophobicContact CE-CB 4.34Å; M1406-L1411 HydrophobicContact CE-CD2 3.25Å; M1406-L1411 HydrophobicContact CE-CG 3.5Å; M1406-L1411 HydrophobicContact CG-CG 4.2Å; M1406-L1411 HydrophobicContact SD-CD1 4.23Å; M1406-L1411 HydrophobicContact SD-CD2 3.39Å; M1406-L1411 WeakPolarHBondContact SD-CD2 3.35Å; M1406-L1411 HydrophobicContact SD-CG 3.59Å; M1406-L1411 VanDerWaalsContact SD-CG 3.59Å; D1407-L1411 PolarHBondContact O-N 2.82Å; I1408-L1411 HydrophobicContact CG1-CD1 4.45Å; I1408-L1411 PolarHBondContact O-N 2.83Å; L1411-A1415 WeakPolarHBondContact O-CB 3.48Å; L1411-A1415 PolarHBondContact O-N 3.12Å; L1411-Y1688 HydrophobicContact CD1-CD1 4.37Å; L1411-Y1688 HydrophobicContact CD1-CE1 4.44Å; L1411-Y1688 HydrophobicContact CD2-CE1 4.14Å; L1411-L1744 HydrophobicContact CB-CD2 4.01Å; L1411-L1744 HydrophobicContact CD1-CD2 4.31Å; L1411-P1745 HydrophobicContact CD2-CG 3.78Å |
| 1412 | T | 58.4 | Low | 53.6 | Low | 9 Ų | 9 | 69.1 Ų | 69.1 | 6% | 0.055 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 177.6 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | I1408 Q1409 V1410 A1415 C1416 R1712 K1743 | I1408-T1412 HydrophobicContact CG2-CG2 4.31Å; I1408-T1412 WeakPolarHBondContact O-CG2 3.21Å; I1408-T1412 PolarHBondContact O-N 2.78Å; I1408-T1412 PolarHBondContact O-OG1 3.03Å; Q1409-T1412 WeakPolarHBondContact CA-OG1 3.47Å; Q1409-T1412 PolarHBondContact O-N 2.94Å; Q1409-T1412 PolarHBondContact O-OG1 2.8Å; V1410-T1412 VanDerWaalsContact C-N 3.34Å; V1410-T1412 PolarHBondContact O-N 3.04Å; T1412-A1415 PolarHBondContact O-N 3.01Å; T1412-C1416 WeakPolarHBondContact O-CB 3.31Å; T1412-C1416 PolarHBondContact O-N 3.48Å; T1412-R1712 PolarHBondContact OG1-NH1 3.3Å; T1412-R1712 VanDerWaalsContact OG1-NH1 3.13Å; T1412-K1743 HydrophobicContact CG2-CB 3.79Å; T1412-K1743 WeakPolarHBondContact CG2-O 3.15Å |
| 1413 | D | 62.1 | Low | 53.4 | Low | 82 Ų | 82 | 69.3 Ų | 69.3 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.1 | -41.5 | -179.8 | -68.2 | -21.9 | 0 | 0 | 0 | 110.8 | Q1409 V1410 C1416 S1417 | Q1409-D1413 VanDerWaalsContact NE2-CG 3.28Å; Q1409-D1413 PolarHBondContact NE2-OD1 2.78Å; Q1409-D1413 PolarHBondContact NE2-OD2 2.91Å; Q1409-D1413 WeakPolarHBondContact O-CB 3.4Å; Q1409-D1413 PolarHBondContact O-N 2.69Å; V1410-D1413 PolarHBondContact O-N 2.94Å; D1413-C1416 WeakPolarHBondContact O-CB 3.48Å; D1413-C1416 PolarHBondContact O-N 2.86Å; D1413-C1416 VanDerWaalsContact O-N 3.13Å; D1413-S1417 PolarHBondContact O-N 3.3Å; D1413-S1417 PolarHBondContact O-OG 3.29Å |
| 1414 | I | 57.9 | Low | 53.2 | Low | 68 Ų | 68 | 69.2 Ų | 69.2 | 35% | 0.349 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 171.8 | -68.9 | 164.8 | 0 | 0 | 0 | 110.4 | M1406 V1410 C1416 S1417 T1418 | M1406-I1414 HydrophobicContact CE-CD1 3.39Å; V1410-I1414 HydrophobicContact CG1-CD1 3.76Å; V1410-I1414 HydrophobicContact CG1-CG1 4.38Å; V1410-I1414 WeakPolarHBondContact O-CB 3.15Å; V1410-I1414 VanDerWaalsContact O-CG1 3.25Å; V1410-I1414 WeakPolarHBondContact O-CG1 3.44Å; V1410-I1414 PolarHBondContact O-N 3.04Å; I1414-C1416 PolarHBondContact O-N 3.41Å; I1414-S1417 WeakPolarHBondContact CA-OG 3.35Å; I1414-S1417 PolarHBondContact O-N 3.39Å; I1414-S1417 VanDerWaalsContact O-N 3.08Å; I1414-S1417 PolarHBondContact O-OG 2.71Å; I1414-T1418 HydrophobicContact CG2-CG2 4.28Å; I1414-T1418 PolarHBondContact O-N 2.86Å; I1414-T1418 PolarHBondContact O-OG1 2.76Å; I1414-T1418 VanDerWaalsContact O-OG1 3.08Å |
| 1415 | A | 55.3 | Low | 52.9 | Low | 6 Ų | 6 | 71.5 Ų | 71.5 | 5% | 0.05 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.8 | -23 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1411 T1412 Q1419 P1745 | L1411-A1415 WeakPolarHBondContact O-CB 3.48Å; L1411-A1415 PolarHBondContact O-N 3.12Å; T1412-A1415 PolarHBondContact O-N 3.01Å; A1415-Q1419 VanDerWaalsContact O-CG 3.31Å; A1415-Q1419 WeakPolarHBondContact O-CG 3.41Å; A1415-Q1419 PolarHBondContact O-NE2 3.29Å; A1415-P1745 HydrophobicContact CB-CB 4.29Å |
| 1416 | C | 56.4 | Low | 52.6 | Low | 93 Ų | 93 | 68.5 Ų | 68.5 | 63% | 0.628 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -82.6 | -30.2 | 172.8 | -87.9 | 0 | 0 | 0 | 0 | 112.9 | T1412 D1413 I1414 | T1412-C1416 WeakPolarHBondContact O-CB 3.31Å; T1412-C1416 PolarHBondContact O-N 3.48Å; D1413-C1416 WeakPolarHBondContact O-CB 3.48Å; D1413-C1416 PolarHBondContact O-N 2.86Å; D1413-C1416 VanDerWaalsContact O-N 3.13Å; I1414-C1416 PolarHBondContact O-N 3.41Å |
| 1417 | S | 53.1 | Low | 52 | Low | 95 Ų | 95 | 76.4 Ų | 76.4 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -81.4 | -27.8 | 178.7 | 58.8 | 0 | 0 | 0 | 0 | 114 | D1413 I1414 | D1413-S1417 PolarHBondContact O-N 3.3Å; D1413-S1417 PolarHBondContact O-OG 3.29Å; I1414-S1417 WeakPolarHBondContact CA-OG 3.35Å; I1414-S1417 PolarHBondContact O-N 3.39Å; I1414-S1417 VanDerWaalsContact O-N 3.08Å; I1414-S1417 PolarHBondContact O-OG 2.71Å |
| 1418 | T | 49.6 | Very low | 51.1 | Low | 47 Ų | 47 | 78 Ų | 78 | 29% | 0.288 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -99.7 | 8 | -172.6 | 61.8 | 0 | 0 | 0 | 0 | 114.9 | I1414 E1420 | I1414-T1418 HydrophobicContact CG2-CG2 4.28Å; I1414-T1418 PolarHBondContact O-N 2.86Å; I1414-T1418 PolarHBondContact O-OG1 2.76Å; I1414-T1418 VanDerWaalsContact O-OG1 3.08Å; T1418-E1420 PolarHBondContact O-N 3.5Å; T1418-E1420 VanDerWaalsContact O-N 3.1Å |
| 1419 | Q | 50.8 | Low | 49.6 | Very low | 116 Ų | 116 | 86.3 Ų | 86.3 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | trans | -78.5 | 98.8 | 179.9 | -85.1 | 175.8 | 32.9 | 0 | 0 | 110.9 | A1415 K1748 | A1415-Q1419 VanDerWaalsContact O-CG 3.31Å; A1415-Q1419 WeakPolarHBondContact O-CG 3.41Å; A1415-Q1419 PolarHBondContact O-NE2 3.29Å; Q1419-K1748 VanDerWaalsContact CD-NZ 3.31Å | ||
| 1420 | E | 49.1 | Very low | 48.4 | Very low | 96 Ų | 96 | 90 Ų | 90 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | trans | -51.6 | 145.3 | 159.8 | -93 | -169.3 | 141.3 | 0 | 0 | 110.6 | T1418 C1422 | T1418-E1420 PolarHBondContact O-N 3.5Å; T1418-E1420 VanDerWaalsContact O-N 3.1Å; E1420-C1422 PolarHBondContact O-N 2.89Å | ||
| 1421 | P | 49.8 | Very low | 46.9 | Very low | 124 Ų | 124 | 95.6 Ų | 95.6 | 81% | 0.805 | 52% | 0.519 | S | S | * | . | trans | -64 | 109.7 | 167.3 | 26.6 | -29.7 | 0 | 0 | 0 | 108.6 | ||||
| 1422 | C | 53.9 | Low | 45.3 | Very low | 51 Ų | 51 | 100.4 Ų | 100.4 | 35% | 0.345 | 55% | 0.553 | S | S | . | * | trans | -51 | 153.6 | 160 | -63 | 0 | 0 | 0 | 0 | 108.9 | E1420 A1424 | E1420-C1422 PolarHBondContact O-N 2.89Å; C1422-A1424 PolarHBondContact O-N 3.31Å | ||
| 1423 | L | 48.4 | Very low | 44.2 | Very low | 92 Ų | 92 | 105.5 Ų | 105.5 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -42 | 117.4 | 177.9 | -74.6 | 170.1 | 0 | 0 | 0 | 110.4 | V1483 | L1423-V1483 HydrophobicContact CD1-CB 4.42Å; L1423-V1483 HydrophobicContact CD1-CG1 4.13Å |
| 1424 | A | 42.5 | Very low | 42.8 | Very low | 75 Ų | 75 | 107.9 Ų | 107.9 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | trans | -19.1 | 121.4 | -158.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | C1422 P1426 | C1422-A1424 PolarHBondContact O-N 3.31Å; A1424-P1426 VanDerWaalsContact O-CD 3.25Å; A1424-P1426 WeakPolarHBondContact O-CD 3.42Å | ||
| 1425 | E | 38.6 | Very low | 41.5 | Very low | 175 Ų | 175 | 114.5 Ų | 114.5 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | -67.3 | 115.3 | 141.4 | -72.9 | -170.3 | 169.1 | 0 | 0 | 107.7 | K1427 | E1425-K1427 PolarHBondContact O-N 3.02Š| ||
| 1426 | P | 37.5 | Very low | 40.5 | Very low | 60 Ų | 60 | 119.1 Ų | 119.1 | 39% | 0.39 | 66% | 0.662 | S | S | . | * | trans | -63.5 | 125.1 | 170 | -11 | 26 | 0 | 0 | 0 | 107 | A1424 V1428 W1467 | A1424-P1426 VanDerWaalsContact O-CD 3.25Å; A1424-P1426 WeakPolarHBondContact O-CD 3.42Å; P1426-V1428 HydrophobicContact CB-CG2 4.44Å; P1426-V1428 PolarHBondContact O-N 3.36Å; P1426-W1467 HydrophobicContact CG-CZ2 3.76Å | ||
| 1427 | K | 35.8 | Very low | 39.2 | Very low | 211 Ų | 211 | 125.1 Ų | 125.1 | 92% | 0.917 | 68% | 0.677 | S | S | * | * | trans | -60.6 | 81.2 | 165.2 | -74.7 | -178.8 | 178.4 | 175 | 0 | 108.4 | E1425 E1429 | E1425-K1427 PolarHBondContact O-N 3.02Å; K1427-E1429 PolarHBondContact O-N 2.97Å | ||
| 1428 | V | 35.6 | Very low | 38.4 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 60% | 0.6 | 67% | 0.673 | S | S | * | * | trans | -76.1 | 106.8 | 163.4 | 180 | 0 | 0 | 0 | 0 | 104.8 | P1426 L1430 | P1426-V1428 HydrophobicContact CB-CG2 4.44Å; P1426-V1428 PolarHBondContact O-N 3.36Å; V1428-L1430 PolarHBondContact O-N 3.48Å | ||
| 1429 | E | 28.1 | Very low | 37.7 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | trans | -52.1 | 93.4 | 161.7 | -71.9 | -178 | 159.8 | 0 | 0 | 107.5 | K1427 Q1431 | K1427-E1429 PolarHBondContact O-N 2.97Å; E1429-Q1431 PolarHBondContact O-N 2.79Å | ||
| 1430 | L | 31.8 | Very low | 36.9 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | trans | -64.1 | 95.3 | 167.1 | -97.2 | 109.2 | 0 | 0 | 0 | 106.1 | V1428 S1432 | V1428-L1430 PolarHBondContact O-N 3.48Å; L1430-S1432 PolarHBondContact O-N 2.78Å | ||
| 1431 | Q | 29 | Very low | 36.3 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | -47.9 | 111.2 | 163.5 | -71.8 | -179.5 | -4.8 | 0 | 0 | 107.1 | E1429 P1433 | E1429-Q1431 PolarHBondContact O-N 2.79Å; Q1431-P1433 WeakPolarHBondContact O-CD 3.35Å; Q1431-P1433 VanDerWaalsContact O-N 3.13Å | ||
| 1432 | S | 27.7 | Very low | 35.8 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 119.5 | -174.9 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | L1430 V1434 | L1430-S1432 PolarHBondContact O-N 2.78Å; S1432-V1434 PolarHBondContact O-N 2.84Å |
| 1433 | P | 35 | Very low | 35.2 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 123 | -179.8 | 22.8 | -28.7 | 0 | 0 | 0 | 109.2 | Q1431 K1435 | Q1431-P1433 WeakPolarHBondContact O-CD 3.35Å; Q1431-P1433 VanDerWaalsContact O-N 3.13Å; P1433-K1435 PolarHBondContact O-N 3.38Å |
| 1434 | V | 32.2 | Very low | 35 | Very low | 132 Ų | 132 | 150 Ų | 150 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 124.4 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | S1432 S1436 | S1432-V1434 PolarHBondContact O-N 2.84Å; V1434-S1436 PolarHBondContact O-N 3.09Å |
| 1435 | K | 31.2 | Very low | 35.4 | Very low | 207 Ų | 207 | 150.3 Ų | 150.3 | 90% | 0.9 | 75% | 0.746 | S | S | * | * | trans | -50.5 | 94.6 | 175.5 | -67.3 | 173.3 | 178.5 | 171.5 | 0 | 111.1 | P1433 | P1433-K1435 PolarHBondContact O-N 3.38Š| ||
| 1436 | S | 33.8 | Very low | 36.1 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -115 | 106.2 | 161.6 | 64.2 | 0 | 0 | 0 | 0 | 109.4 | V1434 S1438 | V1434-S1436 PolarHBondContact O-N 3.09Å; S1436-S1438 PolarHBondContact O-N 3.06Å; S1436-S1438 VanDerWaalsContact O-N 3.09Å | ||
| 1437 | K | 29.8 | Very low | 36.8 | Very low | 219 Ų | 219 | 149 Ų | 149 | 95% | 0.952 | 74% | 0.741 | S | S | * | * | trans | -69.3 | 97.7 | 174.5 | -70.9 | 176.2 | 176.4 | 175.1 | 0 | 108.5 | ||||
| 1438 | S | 36.2 | Very low | 37.7 | Very low | 82 Ų | 82 | 147.9 Ų | 147.9 | 57% | 0.573 | 74% | 0.736 | S | S | * | * | trans | -135.3 | 120.3 | 156.3 | 70.9 | 0 | 0 | 0 | 0 | 109.4 | S1436 Q1440 | S1436-S1438 PolarHBondContact O-N 3.06Å; S1436-S1438 VanDerWaalsContact O-N 3.09Å; S1438-Q1440 PolarHBondContact O-N 2.81Å | ||
| 1439 | K | 34.5 | Very low | 38.6 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 96% | 0.957 | 74% | 0.735 | S | S | * | * | trans | -70.5 | 71.8 | 174.9 | -73.3 | 178.1 | 173.7 | 179.3 | 0 | 108.6 | K1441 | K1439-K1441 PolarHBondContact O-N 3.49Š| ||
| 1440 | Q | 34.4 | Very low | 40 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -78.9 | 115.9 | 167.2 | -83.6 | -177.2 | -18 | 0 | 0 | 108.1 | S1438 K1442 | S1438-Q1440 PolarHBondContact O-N 2.81Å; Q1440-K1442 PolarHBondContact O-N 2.73Å | ||
| 1441 | K | 36.3 | Very low | 41.3 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 87% | 0.874 | 68% | 0.679 | S | S | * | * | trans | -50.6 | 111.8 | 166.8 | -77.8 | 177.4 | 172 | 179.3 | 0 | 107.5 | K1439 K1443 | K1439-K1441 PolarHBondContact O-N 3.49Å; K1441-K1443 VanDerWaalsContact C-N 3.33Å; K1441-K1443 PolarHBondContact O-N 3.34Å | ||
| 1442 | K | 39.1 | Very low | 43.1 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | trans | -59.2 | 95.7 | 172.2 | -79.1 | -175.7 | 171.5 | -171.9 | 0 | 107.6 | Q1440 F1444 M1723 P1725 | Q1440-K1442 PolarHBondContact O-N 2.73Å; K1442-F1444 PolarHBondContact O-N 3.11Å; K1442-M1723 PolarHBondContact NZ-O 3.18Å; K1442-P1725 HydrophobicContact CB-CG 4.4Å; K1442-P1725 HydrophobicContact CD-CG 4.13Å | ||
| 1443 | K | 41.3 | Very low | 45.2 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 84% | 0.839 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 123.7 | 163.8 | -101.7 | -175.7 | 172.1 | -176.3 | 0 | 106 | K1441 M1445 | K1441-K1443 VanDerWaalsContact C-N 3.33Å; K1441-K1443 PolarHBondContact O-N 3.34Å; K1443-M1445 PolarHBondContact O-N 3.21Å |
| 1444 | F | 45.6 | Very low | 47.3 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 61% | 0.605 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 132.2 | 161.6 | -94.5 | -96.8 | 0 | 0 | 0 | 107.8 | K1442 D1446 P1725 | K1442-F1444 PolarHBondContact O-N 3.11Å; F1444-D1446 PolarHBondContact O-N 3.04Å; F1444-P1725 HydrophobicContact CD1-CB 3.99Å; F1444-P1725 HydrophobicContact CE1-CB 4.11Å; F1444-P1725 HydrophobicContact CG-CB 4.21Å; F1444-P1725 HydrophobicContact CZ-CB 4.44Å |
| 1445 | M | 50.1 | Low | 49.7 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 40% | 0.399 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 127.8 | 171.8 | -151.3 | 164.8 | 174.4 | 0 | 0 | 107 | K1443 Q1449 F1476 | K1443-M1445 PolarHBondContact O-N 3.21Å; M1445-Q1449 HydrophobicContact CE-CB 3.82Å; M1445-Q1449 VanDerWaalsContact CE-OE1 3.31Å; M1445-Q1449 HydrophobicContact CG-CB 4.01Å; M1445-F1476 HydrophobicContact CE-CE1 3.91Å; M1445-F1476 HydrophobicContact SD-CD1 4.43Å; M1445-F1476 HydrophobicContact SD-CE1 3.92Å |
| 1446 | D | 53 | Low | 52.5 | Low | 100 Ų | 100 | 119.3 Ų | 119.3 | 54% | 0.535 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 140.4 | -178.9 | -166.2 | -2.5 | 0 | 0 | 0 | 109 | F1444 K1448 Q1449 | F1444-D1446 PolarHBondContact O-N 3.04Å; D1446-K1448 PolarHBondContact O-N 3.19Å; D1446-Q1449 PolarHBondContact O-N 3.45Å |
| 1447 | L | 51.8 | Low | 55.1 | Low | 108 Ų | 108 | 114.5 Ų | 114.5 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -53 | -24.2 | -177.8 | -80.9 | 143.9 | 0 | 0 | 0 | 112.4 | Q1449 I1450 P1727 | L1447-Q1449 PolarHBondContact O-N 2.85Å; L1447-I1450 HydrophobicContact CB-CD1 4.29Å; L1447-I1450 HydrophobicContact CD2-CD1 3.73Å; L1447-I1450 HydrophobicContact CG-CD1 4.35Å; L1447-I1450 WeakPolarHBondContact O-CD1 3.48Å; L1447-I1450 WeakPolarHBondContact O-CG1 3.28Å; L1447-I1450 PolarHBondContact O-N 3.42Å; L1447-P1727 HydrophobicContact CD2-CB 4.08Å; L1447-P1727 HydrophobicContact CG-CB 4.12Å |
| 1448 | K | 54.8 | Low | 57.8 | Low | 187 Ų | 187 | 104.1 Ų | 104.1 | 81% | 0.813 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -71 | -8.9 | 175.6 | -64.6 | -174.4 | 177.6 | -176.7 | 0 | 115.2 | D1446 | D1446-K1448 PolarHBondContact O-N 3.19Š|
| 1449 | Q | 54.3 | Low | 60.4 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -100.6 | 2.9 | 177.3 | -64 | -173.8 | -1.5 | 0 | 0 | 113.3 | M1445 D1446 L1447 | M1445-Q1449 HydrophobicContact CE-CB 3.82Å; M1445-Q1449 VanDerWaalsContact CE-OE1 3.31Å; M1445-Q1449 HydrophobicContact CG-CB 4.01Å; D1446-Q1449 PolarHBondContact O-N 3.45Å; L1447-Q1449 PolarHBondContact O-N 2.85Å |
| 1450 | I | 57.7 | Low | 63.1 | Low | 34 Ų | 34 | 89.8 Ų | 89.8 | 17% | 0.174 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -71.7 | 136.3 | 175.4 | -61.2 | 168.5 | 0 | 0 | 0 | 107.9 | L1447 D1452 P1727 | L1447-I1450 HydrophobicContact CB-CD1 4.29Å; L1447-I1450 HydrophobicContact CD2-CD1 3.73Å; L1447-I1450 HydrophobicContact CG-CD1 4.35Å; L1447-I1450 WeakPolarHBondContact O-CD1 3.48Å; L1447-I1450 WeakPolarHBondContact O-CG1 3.28Å; L1447-I1450 PolarHBondContact O-N 3.42Å; I1450-D1452 PolarHBondContact O-N 3Å; I1450-D1452 VanDerWaalsContact O-OD1 3.07Å; I1450-P1727 HydrophobicContact CD1-CB 4.4Å; I1450-P1727 HydrophobicContact CD1-CG 3.58Å; I1450-P1727 HydrophobicContact CG1-CG 4.07Å |
| 1451 | D | 59.8 | Low | 65.7 | Low | 50 Ų | 50 | 81.9 Ų | 81.9 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | trans | -74.6 | 105.7 | 172.6 | -172.6 | -4.8 | 0 | 0 | 0 | 108.6 | K1453 I1454 | D1451-K1453 PolarHBondContact O-N 3.22Å; D1451-K1453 VanDerWaalsContact OD1-CB 3.27Å; D1451-K1453 WeakPolarHBondContact OD1-CB 3.44Å; D1451-K1453 WeakPolarHBondContact OD1-CG 2.99Å; D1451-K1453 PolarHBondContact OD1-N 2.65Å; D1451-I1454 HydrophobicContact CB-CD1 4.11Å; D1451-I1454 HydrophobicContact CB-CG1 4.12Å; D1451-I1454 PolarHBondContact O-N 3.48Å | ||
| 1452 | D | 65.7 | Low | 68 | Low | 159 Ų | 159 | 72.5 Ų | 72.5 | 85% | 0.85 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -16.2 | 178.4 | -35.3 | -9.8 | 0 | 0 | 0 | 112.9 | I1450 | I1450-D1452 PolarHBondContact O-N 3Å; I1450-D1452 VanDerWaalsContact O-OD1 3.07Å |
| 1453 | K | 72 | Confident | 70.4 | Confident | 127 Ų | 127 | 66.4 Ų | 66.4 | 55% | 0.552 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6.3 | -178.8 | -57.2 | 176.8 | -179.2 | 174.7 | 0 | 114.1 | D1451 D1455 L1471 | D1451-K1453 PolarHBondContact O-N 3.22Å; D1451-K1453 VanDerWaalsContact OD1-CB 3.27Å; D1451-K1453 WeakPolarHBondContact OD1-CB 3.44Å; D1451-K1453 WeakPolarHBondContact OD1-CG 2.99Å; D1451-K1453 PolarHBondContact OD1-N 2.65Å; K1453-D1455 PolarHBondContact O-N 3.15Å; K1453-L1471 HydrophobicContact CB-CD1 3.91Å; K1453-L1471 VanDerWaalsContact O-CD1 3.32Å; K1453-L1471 WeakPolarHBondContact O-CD1 3.4Å |
| 1454 | I | 79 | Confident | 72.5 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | trans | -73.7 | 114.2 | 176.9 | -69.3 | 175.9 | 0 | 0 | 0 | 109.7 | D1451 L1471 Y1473 F1476 Y1478 P1668 | D1451-I1454 HydrophobicContact CB-CD1 4.11Å; D1451-I1454 HydrophobicContact CB-CG1 4.12Å; D1451-I1454 PolarHBondContact O-N 3.48Å; I1454-L1471 HydrophobicContact CG1-CD1 4.35Å; I1454-Y1473 HydrophobicContact CG2-CD2 3.53Å; I1454-Y1473 HydrophobicContact CG2-CE2 4.1Å; I1454-F1476 HydrophobicContact CD1-CD2 3.53Å; I1454-F1476 HydrophobicContact CD1-CE2 3.57Å; I1454-Y1478 HydrophobicContact CD1-CE2 4.13Å; I1454-Y1478 HydrophobicContact CG2-CD2 4.47Å; I1454-Y1478 HydrophobicContact CG2-CE2 4.31Å; I1454-P1668 HydrophobicContact CG2-CB 4.39Å; I1454-P1668 HydrophobicContact CG2-CG 3.92Å | ||
| 1455 | D | 84.3 | Confident | 74.1 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | trans | -118.7 | -172.2 | -178.5 | 61.4 | 10.2 | 0 | 0 | 0 | 112.1 | K1453 W1457 S1458 R1792 | K1453-D1455 PolarHBondContact O-N 3.15Å; D1455-W1457 PolarHBondContact OD1-N 2.92Å; D1455-S1458 WeakPolarHBondContact O-CB 3.2Å; D1455-S1458 PolarHBondContact O-N 2.85Å; D1455-S1458 PolarHBondContact OD1-N 3.17Å; D1455-R1792 IonicContact OD1-CZ 2.66Å; D1455-R1792 IonicContact OD1-NE 3.51Å; D1455-R1792 PolarHBondContact OD1-NE 3Å; D1455-R1792 IonicContact OD1-NH2 2.78Å; D1455-R1792 PolarHBondContact OD1-NH2 3.48Å; D1455-R1792 VanDerWaalsContact OD2-CG 3.25Å; D1455-R1792 WeakPolarHBondContact OD2-CG 3.14Å; D1455-R1792 IonicContact OD2-CZ 3.74Å; D1455-R1792 IonicContact OD2-NE 3.1Å; D1455-R1792 PolarHBondContact OD2-NE 3.22Å; D1455-R1792 IonicContact OD2-NH2 3.82Å | ||
| 1456 | W | 88.8 | Confident | 75.5 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 4% | 0.038 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -33.6 | 176.9 | -179.4 | 90.8 | 0 | 0 | 0 | 112.8 | S1458 K1459 F1460 I1481 I1564 V1751 W1772 F1787 D1788 I1789 | W1456-S1458 VanDerWaalsContact C-N 3.26Å; W1456-S1458 PolarHBondContact O-N 2.85Å; W1456-K1459 WeakPolarHBondContact O-CA 3.29Å; W1456-K1459 VanDerWaalsContact O-CB 3.23Å; W1456-K1459 WeakPolarHBondContact O-CB 3.27Å; W1456-K1459 PolarHBondContact O-N 2.83Å; W1456-F1460 HydrophobicContact CE3-CB 4.26Å; W1456-F1460 HydrophobicContact CH2-CB 3.88Å; W1456-F1460 AromaticContact CH2-CD2 3.84Å; W1456-F1460 HydrophobicContact CH2-CD2 3.84Å; W1456-F1460 AromaticContact CH2-CG 3.96Å; W1456-F1460 HydrophobicContact CH2-CG 3.96Å; W1456-F1460 HydrophobicContact CZ2-CB 4.33Å; W1456-F1460 HydrophobicContact CZ2-CD2 4.39Å; W1456-F1460 HydrophobicContact CZ3-CB 3.86Å; W1456-F1460 HydrophobicContact CZ3-CD2 4.48Å; W1456-F1460 HydrophobicContact CZ3-CG 4.15Å; W1456-F1460 PolarHBondContact O-N 3.41Å; W1456-I1481 HydrophobicContact CZ2-CD1 4.33Å; W1456-I1564 HydrophobicContact CH2-CD1 3.78Å; W1456-I1564 HydrophobicContact CH2-CG1 3.81Å; W1456-I1564 HydrophobicContact CH2-CG2 4.2Å; W1456-I1564 HydrophobicContact CZ2-CD1 4.41Å; W1456-I1564 HydrophobicContact CZ3-CG2 4.29Å; W1456-V1751 HydrophobicContact CZ2-CG2 4.39Å; W1456-W1772 AromaticContact CE2-CH2 3.74Å; W1456-W1772 HydrophobicContact CH2-CH2 4.05Å; W1456-W1772 AromaticContact CH2-CZ3 3.79Å; W1456-W1772 HydrophobicContact CH2-CZ3 3.79Å; W1456-W1772 HydrophobicContact CZ2-CE3 4.49Å; W1456-W1772 AromaticContact CZ2-CH2 3.38Å; W1456-W1772 HydrophobicContact CZ2-CH2 3.38Å; W1456-W1772 HydrophobicContact CZ2-CZ2 4.48Å; W1456-W1772 AromaticContact CZ2-CZ3 3.39Å; W1456-W1772 HydrophobicContact CZ2-CZ3 3.39Å; W1456-F1787 AromaticContact CD1-CD2 3.6Å; W1456-F1787 AromaticContact CD1-CE2 3.87Å; W1456-F1787 AromaticContact CD1-CG 3.72Å; W1456-F1787 AromaticContact NE1-CD2 3.64Å; W1456-F1787 AromaticContact NE1-CE2 3.86Å; W1456-D1788 WeakPolarHBondContact CB-O 3.4Å; W1456-I1789 HydrophobicContact CB-CG2 4.29Å; W1456-I1789 HydrophobicContact CD2-CB 4.33Å; W1456-I1789 HydrophobicContact CD2-CG2 3.34Å; W1456-I1789 HydrophobicContact CE3-CB 3.96Å; W1456-I1789 HydrophobicContact CE3-CG2 3.46Å; W1456-I1789 VanDerWaalsContact CE3-CG2 3.46Å; W1456-I1789 HydrophobicContact CG-CG2 3.71Å; W1456-I1789 HydrophobicContact CH2-CG2 4.37Å; W1456-I1789 HydrophobicContact CZ2-CG2 4.27Å; W1456-I1789 HydrophobicContact CZ3-CB 4.29Å; W1456-I1789 HydrophobicContact CZ3-CG2 3.98Å |
| 1457 | W | 88.1 | Confident | 76.5 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 176.4 | -72.6 | 100.1 | 0 | 0 | 0 | 112.1 | D1455 K1459 F1460 Y1461 I1564 I1789 S1790 | D1455-W1457 PolarHBondContact OD1-N 2.92Å; W1457-K1459 PolarHBondContact O-N 2.85Å; W1457-F1460 HydrophobicContact CE3-CD1 4.02Å; W1457-F1460 HydrophobicContact CZ3-CD1 4.07Å; W1457-F1460 HydrophobicContact CZ3-CE1 4.33Å; W1457-F1460 PolarHBondContact O-N 2.7Å; W1457-Y1461 HydrophobicContact CB-CD2 4.21Å; W1457-Y1461 HydrophobicContact CB-CE2 3.97Å; W1457-Y1461 AromaticContact CE3-CE2 3.97Å; W1457-Y1461 HydrophobicContact CE3-CE2 3.97Å; W1457-Y1461 AromaticContact CE3-CZ 3.82Å; W1457-Y1461 WeakPolarHBondContact O-CB 3.21Å; W1457-Y1461 WeakPolarHBondContact O-CD2 3.47Å; W1457-Y1461 PolarHBondContact O-N 2.89Å; W1457-I1564 HydrophobicContact CH2-CG2 3.64Å; W1457-I1564 HydrophobicContact CZ3-CG2 3.94Å; W1457-I1789 PolarHBondContact NE1-O 2.9Å; W1457-S1790 PolarHBondContact NE1-O 3.03Å |
| 1458 | S | 87.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.2 | -39.3 | 171.4 | -93.7 | 0 | 0 | 0 | 0 | 112.3 | D1455 W1456 A1462 C1470 R1792 | D1455-S1458 WeakPolarHBondContact O-CB 3.2Å; D1455-S1458 PolarHBondContact O-N 2.85Å; D1455-S1458 PolarHBondContact OD1-N 3.17Å; W1456-S1458 VanDerWaalsContact C-N 3.26Å; W1456-S1458 PolarHBondContact O-N 2.85Å; S1458-A1462 VanDerWaalsContact O-CB 3.25Å; S1458-A1462 WeakPolarHBondContact O-CB 3.4Å; S1458-A1462 PolarHBondContact O-N 3.27Å; S1458-A1462 VanDerWaalsContact O-N 3.13Å; S1458-C1470 WeakPolarHBondContact CB-O 3.45Å; S1458-C1470 WeakPolarHBondContact O-CB 3.48Å; S1458-C1470 PolarHBondContact OG-O 3.44Å; S1458-R1792 VanDerWaalsContact N-NH2 3.17Å; S1458-R1792 PolarHBondContact OG-NH2 3.42Å |
| 1459 | K | 90.3 | Very high | 78.5 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -46.4 | 174.1 | -177.7 | 179.6 | -162.3 | 179.9 | 0 | 111.9 | W1456 W1457 A1462 S1463 Y1473 I1481 N1669 E1749 | W1456-K1459 WeakPolarHBondContact O-CA 3.29Å; W1456-K1459 VanDerWaalsContact O-CB 3.23Å; W1456-K1459 WeakPolarHBondContact O-CB 3.27Å; W1456-K1459 PolarHBondContact O-N 2.83Å; W1457-K1459 PolarHBondContact O-N 2.85Å; K1459-A1462 PolarHBondContact O-N 3.02Å; K1459-S1463 WeakPolarHBondContact O-CB 3.49Å; K1459-S1463 PolarHBondContact O-N 2.9Å; K1459-S1463 VanDerWaalsContact O-N 3.12Å; K1459-S1463 PolarHBondContact O-OG 3.46Å; K1459-Y1473 HydrophobicContact CB-CE1 4.21Å; K1459-Y1473 HydrophobicContact CB-CE2 3.8Å; K1459-Y1473 HydrophobicContact CG-CE1 4.3Å; K1459-Y1473 HydrophobicContact CG-CE2 4.46Å; K1459-Y1473 VanDerWaalsContact CG-OH 3.31Å; K1459-Y1473 WeakPolarHBondContact CG-OH 3.49Å; K1459-I1481 HydrophobicContact CD-CG2 4.04Å; K1459-I1481 VanDerWaalsContact CE-CG2 3.47Å; K1459-I1481 HydrophobicContact CG-CG2 4.34Å; K1459-N1669 WeakPolarHBondContact CD-OD1 3.32Å; K1459-N1669 WeakPolarHBondContact CE-OD1 3.48Å; K1459-N1669 PolarHBondContact NZ-OD1 2.8Å; K1459-E1749 IonicContact NZ-OE1 3.99Å; K1459-E1749 PolarHBondContact NZ-OE1 3.46Å; K1459-E1749 IonicContact NZ-OE2 3.15Å; K1459-E1749 PolarHBondContact NZ-OE2 2.81Å |
| 1460 | F | 90.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -51.6 | 179.4 | 178.8 | -105.2 | 0 | 0 | 0 | 111.8 | W1456 W1457 A1462 S1463 I1464 I1481 I1564 V1751 | W1456-F1460 HydrophobicContact CE3-CB 4.26Å; W1456-F1460 HydrophobicContact CH2-CB 3.88Å; W1456-F1460 AromaticContact CH2-CD2 3.84Å; W1456-F1460 HydrophobicContact CH2-CD2 3.84Å; W1456-F1460 AromaticContact CH2-CG 3.96Å; W1456-F1460 HydrophobicContact CH2-CG 3.96Å; W1456-F1460 HydrophobicContact CZ2-CB 4.33Å; W1456-F1460 HydrophobicContact CZ2-CD2 4.39Å; W1456-F1460 HydrophobicContact CZ3-CB 3.86Å; W1456-F1460 HydrophobicContact CZ3-CD2 4.48Å; W1456-F1460 HydrophobicContact CZ3-CG 4.15Å; W1456-F1460 PolarHBondContact O-N 3.41Å; W1457-F1460 HydrophobicContact CE3-CD1 4.02Å; W1457-F1460 HydrophobicContact CZ3-CD1 4.07Å; W1457-F1460 HydrophobicContact CZ3-CE1 4.33Å; W1457-F1460 PolarHBondContact O-N 2.7Å; F1460-A1462 PolarHBondContact O-N 2.88Å; F1460-S1463 WeakPolarHBondContact O-CA 3.18Å; F1460-S1463 WeakPolarHBondContact O-CB 3.43Å; F1460-S1463 PolarHBondContact O-N 2.96Å; F1460-I1464 HydrophobicContact CD1-CD1 4.35Å; F1460-I1464 HydrophobicContact CE1-CD1 3.83Å; F1460-I1464 HydrophobicContact CE2-CG2 4.35Å; F1460-I1464 HydrophobicContact CZ-CD1 4.25Å; F1460-I1464 HydrophobicContact CZ-CG2 4.32Å; F1460-I1464 PolarHBondContact O-N 3.15Å; F1460-I1464 VanDerWaalsContact O-N 3.12Å; F1460-I1481 HydrophobicContact CD2-CD1 3.96Å; F1460-I1564 HydrophobicContact CE2-CD1 4.22Å; F1460-I1564 HydrophobicContact CZ-CG2 4.48Å; F1460-V1751 HydrophobicContact CD2-CG2 4.34Å; F1460-V1751 HydrophobicContact CE2-CG1 4.36Å; F1460-V1751 HydrophobicContact CE2-CG2 4.34Å |
| 1461 | Y | 88.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 178.9 | -68.1 | -51.6 | 0 | 0 | 0 | 112.8 | W1457 S1463 I1464 G1465 E1466 K1469 | W1457-Y1461 HydrophobicContact CB-CD2 4.21Å; W1457-Y1461 HydrophobicContact CB-CE2 3.97Å; W1457-Y1461 AromaticContact CE3-CE2 3.97Å; W1457-Y1461 HydrophobicContact CE3-CE2 3.97Å; W1457-Y1461 AromaticContact CE3-CZ 3.82Å; W1457-Y1461 WeakPolarHBondContact O-CB 3.21Å; W1457-Y1461 WeakPolarHBondContact O-CD2 3.47Å; W1457-Y1461 PolarHBondContact O-N 2.89Å; Y1461-S1463 PolarHBondContact O-N 3.41Å; Y1461-I1464 HydrophobicContact CD1-CD1 4.11Å; Y1461-I1464 PolarHBondContact O-N 3.41Å; Y1461-G1465 PolarHBondContact O-N 3.02Å; Y1461-G1465 VanDerWaalsContact O-N 3.08Å; Y1461-E1466 HydrophobicContact CD1-CB 3.98Å; Y1461-E1466 HydrophobicContact CD1-CG 4.48Å; Y1461-E1466 WeakPolarHBondContact CD1-OE2 3.22Å; Y1461-E1466 HydrophobicContact CG-CB 4.36Å; Y1461-E1466 PolarHBondContact O-N 2.91Å; Y1461-K1469 HydrophobicContact CD1-CB 4.21Å; Y1461-K1469 HydrophobicContact CD1-CD 4.04Å; Y1461-K1469 HydrophobicContact CD2-CB 3.49Å; Y1461-K1469 VanDerWaalsContact CD2-CB 3.49Å; Y1461-K1469 HydrophobicContact CD2-CD 4.33Å; Y1461-K1469 HydrophobicContact CE1-CD 3.85Å; Y1461-K1469 HydrophobicContact CE2-CB 3.93Å; Y1461-K1469 HydrophobicContact CE2-CD 4.11Å; Y1461-K1469 HydrophobicContact CG-CB 3.66Å; Y1461-K1469 HydrophobicContact CG-CD 4.31Å |
| 1462 | A | 85.6 | Confident | 81.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -28.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1458 K1459 F1460 W1467 C1470 Y1473 | S1458-A1462 VanDerWaalsContact O-CB 3.25Å; S1458-A1462 WeakPolarHBondContact O-CB 3.4Å; S1458-A1462 PolarHBondContact O-N 3.27Å; S1458-A1462 VanDerWaalsContact O-N 3.13Å; K1459-A1462 PolarHBondContact O-N 3.02Å; F1460-A1462 PolarHBondContact O-N 2.88Å; A1462-W1467 HydrophobicContact CB-CZ3 4.26Å; A1462-W1467 WeakPolarHBondContact O-CH2 3.3Å; A1462-W1467 WeakPolarHBondContact O-CZ3 3.32Å; A1462-C1470 HydrophobicContact CB-CB 3.89Å; A1462-Y1473 HydrophobicContact CB-CD1 3.88Å; A1462-Y1473 HydrophobicContact CB-CE1 4.42Å |
| 1463 | S | 89.1 | Confident | 82.3 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -85.4 | -26.8 | -177.1 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | K1459 F1460 Y1461 T1480 I1481 | K1459-S1463 WeakPolarHBondContact O-CB 3.49Å; K1459-S1463 PolarHBondContact O-N 2.9Å; K1459-S1463 VanDerWaalsContact O-N 3.12Å; K1459-S1463 PolarHBondContact O-OG 3.46Å; F1460-S1463 WeakPolarHBondContact O-CA 3.18Å; F1460-S1463 WeakPolarHBondContact O-CB 3.43Å; F1460-S1463 PolarHBondContact O-N 2.96Å; Y1461-S1463 PolarHBondContact O-N 3.41Å; S1463-T1480 WeakPolarHBondContact OG-CA 3.42Å; S1463-T1480 WeakPolarHBondContact OG-CB 3.11Å; S1463-I1481 VanDerWaalsContact CB-CG1 3.49Å; S1463-I1481 WeakPolarHBondContact CB-O 3.27Å; S1463-I1481 WeakPolarHBondContact OG-CG1 3.49Å; S1463-I1481 PolarHBondContact OG-N 3.46Å |
| 1464 | I | 85.7 | Confident | 82.3 | Confident | 40 Ų | 40 | 35.4 Ų | 35.4 | 21% | 0.205 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -95.1 | 0.1 | 173.2 | 63.7 | 170.5 | 0 | 0 | 0 | 113.6 | F1460 Y1461 E1466 V1483 | F1460-I1464 HydrophobicContact CD1-CD1 4.35Å; F1460-I1464 HydrophobicContact CE1-CD1 3.83Å; F1460-I1464 HydrophobicContact CE2-CG2 4.35Å; F1460-I1464 HydrophobicContact CZ-CD1 4.25Å; F1460-I1464 HydrophobicContact CZ-CG2 4.32Å; F1460-I1464 PolarHBondContact O-N 3.15Å; F1460-I1464 VanDerWaalsContact O-N 3.12Å; Y1461-I1464 HydrophobicContact CD1-CD1 4.11Å; Y1461-I1464 PolarHBondContact O-N 3.41Å; I1464-E1466 HydrophobicContact CD1-CG 4Å; I1464-E1466 WeakPolarHBondContact CD1-OE1 3.49Å; I1464-E1466 HydrophobicContact CG1-CB 4.38Å; I1464-E1466 HydrophobicContact CG1-CG 4.08Å; I1464-V1483 HydrophobicContact CG2-CB 4.16Å; I1464-V1483 HydrophobicContact CG2-CG1 4.08Å; I1464-V1483 HydrophobicContact CG2-CG2 3.8Å |
| 1465 | G | 78.3 | Confident | 82.2 | Confident | 23 Ų | 23 | 41 Ų | 41 | 24% | 0.237 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 13.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y1461 W1467 | Y1461-G1465 PolarHBondContact O-N 3.02Å; Y1461-G1465 VanDerWaalsContact O-N 3.08Å; G1465-W1467 VanDerWaalsContact C-N 3.33Å; G1465-W1467 VanDerWaalsContact O-CD1 3.24Å; G1465-W1467 PolarHBondContact O-N 3.03Å; G1465-W1467 VanDerWaalsContact O-N 3.11Å; G1465-W1467 PolarHBondContact O-NE1 3.31Å |
| 1466 | E | 80.2 | Confident | 81.8 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | trans | -85 | 71.7 | 175.7 | -69.5 | -170.5 | -155.7 | 0 | 0 | 110.9 | Y1461 I1464 D1468 K1469 | Y1461-E1466 HydrophobicContact CD1-CB 3.98Å; Y1461-E1466 HydrophobicContact CD1-CG 4.48Å; Y1461-E1466 WeakPolarHBondContact CD1-OE2 3.22Å; Y1461-E1466 HydrophobicContact CG-CB 4.36Å; Y1461-E1466 PolarHBondContact O-N 2.91Å; I1464-E1466 HydrophobicContact CD1-CG 4Å; I1464-E1466 WeakPolarHBondContact CD1-OE1 3.49Å; I1464-E1466 HydrophobicContact CG1-CB 4.38Å; I1464-E1466 HydrophobicContact CG1-CG 4.08Å; E1466-D1468 VanDerWaalsContact C-N 3.28Å; E1466-D1468 PolarHBondContact O-N 2.98Å; E1466-K1469 PolarHBondContact O-N 2.84Å; E1466-K1469 VanDerWaalsContact O-N 3.16Å; E1466-K1469 VanDerWaalsContact OE2-CD 3.25Å; E1466-K1469 WeakPolarHBondContact OE2-CD 3.22Å; E1466-K1469 WeakPolarHBondContact OE2-CE 3.29Å; E1466-K1469 IonicContact OE2-NZ 2.71Å; E1466-K1469 PolarHBondContact OE2-NZ 3.29Å | ||
| 1467 | W | 73.5 | Confident | 81.1 | Confident | 98 Ų | 98 | 41.5 Ų | 41.5 | 37% | 0.371 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -62.1 | -31.5 | -171.3 | -49.6 | 111.8 | 0 | 0 | 0 | 114.1 | P1426 A1462 G1465 K1469 C1470 K1474 | P1426-W1467 HydrophobicContact CG-CZ2 3.76Å; A1462-W1467 HydrophobicContact CB-CZ3 4.26Å; A1462-W1467 WeakPolarHBondContact O-CH2 3.3Å; A1462-W1467 WeakPolarHBondContact O-CZ3 3.32Å; G1465-W1467 VanDerWaalsContact C-N 3.33Å; G1465-W1467 VanDerWaalsContact O-CD1 3.24Å; G1465-W1467 PolarHBondContact O-N 3.03Å; G1465-W1467 VanDerWaalsContact O-N 3.11Å; G1465-W1467 PolarHBondContact O-NE1 3.31Å; W1467-K1469 PolarHBondContact O-N 2.49Å; W1467-C1470 PolarHBondContact O-N 3.46Å; W1467-C1470 PolarHBondContact O-SG 3.14Å; W1467-K1474 HydrophobicContact CE3-CD 3.73Å; W1467-K1474 HydrophobicContact CH2-CD 4.08Å; W1467-K1474 VanDerWaalsContact CZ2-NZ 3.31Å; W1467-K1474 HydrophobicContact CZ3-CD 3.43Å; W1467-K1474 VanDerWaalsContact CZ3-CD 3.43Å; W1467-K1474 HydrophobicContact CZ3-CG 4.35Å; W1467-K1474 VanDerWaalsContact CZ3-NZ 3.28Å |
| 1468 | D | 70.7 | Confident | 81 | Confident | 121 Ų | 121 | 42.1 Ų | 42.1 | 65% | 0.647 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -66 | -21.8 | 179 | 57 | -54.4 | 0 | 0 | 0 | 113.1 | E1466 | E1466-D1468 VanDerWaalsContact C-N 3.28Å; E1466-D1468 PolarHBondContact O-N 2.98Å |
| 1469 | K | 77.8 | Confident | 80.9 | Confident | 46 Ų | 46 | 42.3 Ų | 42.3 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -102.6 | -4.9 | -179.7 | -57.6 | -174.8 | -169 | 164.3 | 0 | 114.2 | Y1461 E1466 W1467 R1792 A1865 E1866 | Y1461-K1469 HydrophobicContact CD1-CB 4.21Å; Y1461-K1469 HydrophobicContact CD1-CD 4.04Å; Y1461-K1469 HydrophobicContact CD2-CB 3.49Å; Y1461-K1469 VanDerWaalsContact CD2-CB 3.49Å; Y1461-K1469 HydrophobicContact CD2-CD 4.33Å; Y1461-K1469 HydrophobicContact CE1-CD 3.85Å; Y1461-K1469 HydrophobicContact CE2-CB 3.93Å; Y1461-K1469 HydrophobicContact CE2-CD 4.11Å; Y1461-K1469 HydrophobicContact CG-CB 3.66Å; Y1461-K1469 HydrophobicContact CG-CD 4.31Å; E1466-K1469 PolarHBondContact O-N 2.84Å; E1466-K1469 VanDerWaalsContact O-N 3.16Å; E1466-K1469 VanDerWaalsContact OE2-CD 3.25Å; E1466-K1469 WeakPolarHBondContact OE2-CD 3.22Å; E1466-K1469 WeakPolarHBondContact OE2-CE 3.29Å; E1466-K1469 IonicContact OE2-NZ 2.71Å; E1466-K1469 PolarHBondContact OE2-NZ 3.29Å; W1467-K1469 PolarHBondContact O-N 2.49Å; K1469-R1792 PolarHBondContact O-NH1 3.09Å; K1469-R1792 PolarHBondContact O-NH2 3.38Å; K1469-A1865 WeakPolarHBondContact CA-O 3.3Å; K1469-E1866 HydrophobicContact CB-CG 4.47Å; K1469-E1866 HydrophobicContact CD-CG 4.21Å; K1469-E1866 HydrophobicContact CG-CG 4.2Å |
| 1470 | C | 77.2 | Confident | 80.9 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -92.3 | 0.7 | -172.9 | 81.4 | 0 | 0 | 0 | 0 | 115 | S1458 A1462 W1467 Y1473 | S1458-C1470 WeakPolarHBondContact CB-O 3.45Å; S1458-C1470 WeakPolarHBondContact O-CB 3.48Å; S1458-C1470 PolarHBondContact OG-O 3.44Å; A1462-C1470 HydrophobicContact CB-CB 3.89Å; W1467-C1470 PolarHBondContact O-N 3.46Å; W1467-C1470 PolarHBondContact O-SG 3.14Å; C1470-Y1473 WeakPolarHBondContact O-CB 3.11Å; C1470-Y1473 PolarHBondContact O-N 2.77Å |
| 1471 | L | 80.6 | Confident | 80.8 | Confident | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -143 | -173.2 | -58.4 | 173.1 | 0 | 0 | 0 | 111 | K1453 I1454 Y1473 A1865 | K1453-L1471 HydrophobicContact CB-CD1 3.91Å; K1453-L1471 VanDerWaalsContact O-CD1 3.32Å; K1453-L1471 WeakPolarHBondContact O-CD1 3.4Å; I1454-L1471 HydrophobicContact CG1-CD1 4.35Å; L1471-Y1473 VanDerWaalsContact C-N 3.26Å; L1471-Y1473 PolarHBondContact O-N 2.79Å; L1471-A1865 HydrophobicContact CD1-CB 4.21Å; L1471-A1865 HydrophobicContact CD2-CB 3.77Å; L1471-A1865 HydrophobicContact CG-CB 4.06Å |
| 1472 | K | 77.7 | Confident | 80.9 | Confident | 108 Ų | 108 | 45.6 Ų | 45.6 | 47% | 0.47 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 15 | 175.7 | -63 | -173.7 | 177.8 | 179.4 | 0 | 113.6 | K1474 E1475 F1476 | K1472-K1474 VanDerWaalsContact C-N 3.32Å; K1472-K1474 PolarHBondContact O-N 2.84Å; K1472-E1475 HydrophobicContact CB-CB 4.32Å; K1472-E1475 WeakPolarHBondContact CG-OE2 3.18Å; K1472-E1475 WeakPolarHBondContact O-CB 3.4Å; K1472-E1475 PolarHBondContact O-N 2.94Å; K1472-F1476 HydrophobicContact CB-CD2 4.19Å; K1472-F1476 HydrophobicContact CB-CE2 3.82Å; K1472-F1476 HydrophobicContact CB-CZ 4.36Å; K1472-F1476 VanDerWaalsContact O-CD2 3.3Å; K1472-F1476 WeakPolarHBondContact O-CD2 2.84Å; K1472-F1476 PolarHBondContact O-N 2.84Å; K1472-F1476 VanDerWaalsContact O-N 3.15Å |
| 1473 | Y | 83.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -48.3 | -175.1 | -173.3 | -84.3 | 0 | 0 | 0 | 112.4 | I1454 K1459 A1462 C1470 L1471 F1476 Y1478 D1479 P1668 N1669 | I1454-Y1473 HydrophobicContact CG2-CD2 3.53Å; I1454-Y1473 HydrophobicContact CG2-CE2 4.1Å; K1459-Y1473 HydrophobicContact CB-CE1 4.21Å; K1459-Y1473 HydrophobicContact CB-CE2 3.8Å; K1459-Y1473 HydrophobicContact CG-CE1 4.3Å; K1459-Y1473 HydrophobicContact CG-CE2 4.46Å; K1459-Y1473 VanDerWaalsContact CG-OH 3.31Å; K1459-Y1473 WeakPolarHBondContact CG-OH 3.49Å; A1462-Y1473 HydrophobicContact CB-CD1 3.88Å; A1462-Y1473 HydrophobicContact CB-CE1 4.42Å; C1470-Y1473 WeakPolarHBondContact O-CB 3.11Å; C1470-Y1473 PolarHBondContact O-N 2.77Å; L1471-Y1473 VanDerWaalsContact C-N 3.26Å; L1471-Y1473 PolarHBondContact O-N 2.79Å; Y1473-F1476 PolarHBondContact O-N 3.39Å; Y1473-Y1478 AromaticContact CD2-CD2 3.7Å; Y1473-Y1478 HydrophobicContact CD2-CD2 3.7Å; Y1473-Y1478 HydrophobicContact CD2-CG 4.49Å; Y1473-Y1478 AromaticContact CE2-CD2 3.66Å; Y1473-Y1478 HydrophobicContact CE2-CD2 3.66Å; Y1473-Y1478 HydrophobicContact CE2-CG 4.23Å; Y1473-Y1478 HydrophobicContact CG-CD2 4.18Å; Y1473-D1479 WeakPolarHBondContact CE1-O 3.33Å; Y1473-D1479 PolarHBondContact OH-O 2.88Å; Y1473-P1668 HydrophobicContact CE2-CB 4.41Å; Y1473-P1668 HydrophobicContact CE2-CG 4.11Å; Y1473-N1669 PolarHBondContact OH-ND2 2.95Å; Y1473-N1669 PolarHBondContact OH-OD1 2.79Å |
| 1474 | K | 71.6 | Confident | 81.1 | Confident | 101 Ų | 101 | 46.1 Ų | 46.1 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -34.2 | 178.7 | -161.9 | -174 | -162.2 | 169.8 | 0 | 112.9 | W1467 K1472 F1476 G1477 | W1467-K1474 HydrophobicContact CE3-CD 3.73Å; W1467-K1474 HydrophobicContact CH2-CD 4.08Å; W1467-K1474 VanDerWaalsContact CZ2-NZ 3.31Å; W1467-K1474 HydrophobicContact CZ3-CD 3.43Å; W1467-K1474 VanDerWaalsContact CZ3-CD 3.43Å; W1467-K1474 HydrophobicContact CZ3-CG 4.35Å; W1467-K1474 VanDerWaalsContact CZ3-NZ 3.28Å; K1472-K1474 VanDerWaalsContact C-N 3.32Å; K1472-K1474 PolarHBondContact O-N 2.84Å; K1474-F1476 PolarHBondContact O-N 2.97Å; K1474-G1477 PolarHBondContact O-N 3.45Å |
| 1475 | E | 76.6 | Confident | 81.1 | Confident | 136 Ų | 136 | 47 Ų | 47 | 64% | 0.636 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -32.3 | 178.3 | -61.6 | -178 | -178.6 | 0 | 0 | 111.9 | K1472 G1477 | K1472-E1475 HydrophobicContact CB-CB 4.32Å; K1472-E1475 WeakPolarHBondContact CG-OE2 3.18Å; K1472-E1475 WeakPolarHBondContact O-CB 3.4Å; K1472-E1475 PolarHBondContact O-N 2.94Å; E1475-G1477 PolarHBondContact O-N 3.09Å |
| 1476 | F | 76.8 | Confident | 81.5 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.7 | 174.6 | -65.9 | -49.3 | 0 | 0 | 0 | 114.1 | M1445 I1454 K1472 Y1473 K1474 Y1478 | M1445-F1476 HydrophobicContact CE-CE1 3.91Å; M1445-F1476 HydrophobicContact SD-CD1 4.43Å; M1445-F1476 HydrophobicContact SD-CE1 3.92Å; I1454-F1476 HydrophobicContact CD1-CD2 3.53Å; I1454-F1476 HydrophobicContact CD1-CE2 3.57Å; K1472-F1476 HydrophobicContact CB-CD2 4.19Å; K1472-F1476 HydrophobicContact CB-CE2 3.82Å; K1472-F1476 HydrophobicContact CB-CZ 4.36Å; K1472-F1476 VanDerWaalsContact O-CD2 3.3Å; K1472-F1476 WeakPolarHBondContact O-CD2 2.84Å; K1472-F1476 PolarHBondContact O-N 2.84Å; K1472-F1476 VanDerWaalsContact O-N 3.15Å; Y1473-F1476 PolarHBondContact O-N 3.39Å; K1474-F1476 PolarHBondContact O-N 2.97Å; F1476-Y1478 VanDerWaalsContact C-N 3.33Å; F1476-Y1478 HydrophobicContact CB-CD1 3.94Å; F1476-Y1478 HydrophobicContact CB-CD2 4.26Å; F1476-Y1478 HydrophobicContact CB-CE1 3.75Å; F1476-Y1478 HydrophobicContact CB-CE2 4.09Å; F1476-Y1478 HydrophobicContact CB-CG 4.2Å; F1476-Y1478 HydrophobicContact CD2-CE2 4.23Å |
| 1477 | G | 73.9 | Confident | 82.1 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 37% | 0.371 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 34.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | K1474 E1475 | K1474-G1477 PolarHBondContact O-N 3.45Å; E1475-G1477 PolarHBondContact O-N 3.09Å |
| 1478 | Y | 86.2 | Confident | 83 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -78 | 156 | 176 | -67.6 | -13.1 | 0 | 0 | 0 | 112.4 | I1454 Y1473 F1476 P1668 N1726 H1728 | I1454-Y1478 HydrophobicContact CD1-CE2 4.13Å; I1454-Y1478 HydrophobicContact CG2-CD2 4.47Å; I1454-Y1478 HydrophobicContact CG2-CE2 4.31Å; Y1473-Y1478 AromaticContact CD2-CD2 3.7Å; Y1473-Y1478 HydrophobicContact CD2-CD2 3.7Å; Y1473-Y1478 HydrophobicContact CD2-CG 4.49Å; Y1473-Y1478 AromaticContact CE2-CD2 3.66Å; Y1473-Y1478 HydrophobicContact CE2-CD2 3.66Å; Y1473-Y1478 HydrophobicContact CE2-CG 4.23Å; Y1473-Y1478 HydrophobicContact CG-CD2 4.18Å; F1476-Y1478 VanDerWaalsContact C-N 3.33Å; F1476-Y1478 HydrophobicContact CB-CD1 3.94Å; F1476-Y1478 HydrophobicContact CB-CD2 4.26Å; F1476-Y1478 HydrophobicContact CB-CE1 3.75Å; F1476-Y1478 HydrophobicContact CB-CE2 4.09Å; F1476-Y1478 HydrophobicContact CB-CG 4.2Å; F1476-Y1478 HydrophobicContact CD2-CE2 4.23Å; Y1478-P1668 HydrophobicContact CD2-CG 4.34Å; Y1478-P1668 HydrophobicContact CE2-CG 4.32Å; Y1478-N1726 HydrophobicContact CE1-CB 4.42Å; Y1478-H1728 AromaticContact CZ-CD2 3.96Å; Y1478-H1728 PolarHBondContact OH-CD2 3.23Å; Y1478-H1728 PolarHBondContact OH-NE2 3.41Å |
| 1479 | D | 86 | Confident | 84 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 145.3 | -173 | -58.5 | -9.2 | 0 | 0 | 0 | 113.3 | Y1473 Q1661 S1662 | Y1473-D1479 WeakPolarHBondContact CE1-O 3.33Å; Y1473-D1479 PolarHBondContact OH-O 2.88Å; D1479-Q1661 HydrophobicContact CB-CB 4.03Å; D1479-Q1661 HydrophobicContact CB-CG 4.29Å; D1479-Q1661 PolarHBondContact OD2-N 3.42Å; D1479-S1662 WeakPolarHBondContact OD1-CB 3.49Å; D1479-S1662 PolarHBondContact OD1-OG 3.06Å; D1479-S1662 WeakPolarHBondContact OD2-CA 3.42Å; D1479-S1662 VanDerWaalsContact OD2-CB 3.27Å; D1479-S1662 WeakPolarHBondContact OD2-CB 3.39Å; D1479-S1662 PolarHBondContact OD2-N 3.35Å |
| 1480 | T | 88.2 | Confident | 84.5 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 28% | 0.282 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -98.8 | 160.2 | 167.9 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | S1463 Q1661 | S1463-T1480 WeakPolarHBondContact OG-CA 3.42Å; S1463-T1480 WeakPolarHBondContact OG-CB 3.11Å; T1480-Q1661 PolarHBondContact O-NE2 3.04Å; T1480-Q1661 VanDerWaalsContact O-NE2 3.09Å; T1480-Q1661 PolarHBondContact OG1-NE2 3.45Å |
| 1481 | I | 90.1 | Very high | 84.9 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -103.6 | 152.6 | 174.1 | 49.6 | 171.8 | 0 | 0 | 0 | 111.4 | W1456 K1459 F1460 S1463 V1483 E1749 V1751 | W1456-I1481 HydrophobicContact CZ2-CD1 4.33Å; K1459-I1481 HydrophobicContact CD-CG2 4.04Å; K1459-I1481 VanDerWaalsContact CE-CG2 3.47Å; K1459-I1481 HydrophobicContact CG-CG2 4.34Å; F1460-I1481 HydrophobicContact CD2-CD1 3.96Å; S1463-I1481 VanDerWaalsContact CB-CG1 3.49Å; S1463-I1481 WeakPolarHBondContact CB-O 3.27Å; S1463-I1481 WeakPolarHBondContact OG-CG1 3.49Å; S1463-I1481 PolarHBondContact OG-N 3.46Å; I1481-V1483 HydrophobicContact CD1-CG2 4.33Å; I1481-V1483 HydrophobicContact CG1-CG2 4.24Å; I1481-E1749 HydrophobicContact CG2-CB 4.21Å; I1481-E1749 HydrophobicContact CG2-CG 3.6Å; I1481-V1751 HydrophobicContact CD1-CG2 3.73Å |
| 1482 | C | 90 | Very high | 84.7 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 10% | 0.095 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 117.1 | 172.9 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | Y1484 E1749 H1750 V1751 | C1482-Y1484 HydrophobicContact CB-CE2 4.01Å; C1482-E1749 PolarHBondContact N-O 3.18Å; C1482-H1750 HydrophobicContact CB-CB 4.16Å; C1482-H1750 CarbonylContact O-C 3.54Å; C1482-H1750 WeakPolarHBondContact O-CA 3.31Å; C1482-H1750 VanDerWaalsContact O-CB 3.23Å; C1482-H1750 WeakPolarHBondContact O-CB 3.37Å; C1482-V1751 PolarHBondContact O-N 3.46Å |
| 1483 | V | 89.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 107.3 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | L1423 I1464 I1481 V1751 | L1423-V1483 HydrophobicContact CD1-CB 4.42Å; L1423-V1483 HydrophobicContact CD1-CG1 4.13Å; I1464-V1483 HydrophobicContact CG2-CB 4.16Å; I1464-V1483 HydrophobicContact CG2-CG1 4.08Å; I1464-V1483 HydrophobicContact CG2-CG2 3.8Å; I1481-V1483 HydrophobicContact CD1-CG2 4.33Å; I1481-V1483 HydrophobicContact CG1-CG2 4.24Å; V1483-V1751 WeakPolarHBondContact CA-O 3.49Å; V1483-V1751 HydrophobicContact CG1-CB 4.34Å; V1483-V1751 HydrophobicContact CG1-CG1 4.38Å; V1483-V1751 HydrophobicContact CG2-CB 4.37Å |
| 1484 | Y | 90.2 | Very high | 84.6 | Confident | 27 Ų | 27 | 44 Ų | 44 | 11% | 0.106 | 24% | 0.235 | C | C | . | . | trans | -89.3 | 136.9 | 179.5 | -59.1 | -71.4 | 0 | 0 | 0 | 110.8 | C1482 H1486 L1488 V1491 H1750 V1751 T1753 | C1482-Y1484 HydrophobicContact CB-CE2 4.01Å; Y1484-H1486 PolarHBondContact O-N 2.96Å; Y1484-L1488 HydrophobicContact CD2-CD1 3.82Å; Y1484-L1488 HydrophobicContact CE2-CD1 3.6Å; Y1484-V1491 HydrophobicContact CD1-CG1 4.37Å; Y1484-V1491 HydrophobicContact CD1-CG2 3.6Å; Y1484-V1491 HydrophobicContact CD2-CG2 4.34Å; Y1484-V1491 HydrophobicContact CE1-CG1 3.84Å; Y1484-V1491 HydrophobicContact CE1-CG2 3.78Å; Y1484-V1491 HydrophobicContact CE2-CG2 4.48Å; Y1484-V1491 HydrophobicContact CG-CG2 3.9Å; Y1484-H1750 HydrophobicContact CD2-CB 3.91Å; Y1484-H1750 HydrophobicContact CE2-CB 3.56Å; Y1484-V1751 PolarHBondContact N-O 2.81Å; Y1484-T1753 WeakPolarHBondContact O-CB 3.38Å; Y1484-T1753 PolarHBondContact O-N 2.69Å; Y1484-T1753 VanDerWaalsContact O-N 3.16Å; Y1484-T1753 PolarHBondContact O-OG1 2.75Å | ||
| 1485 | S | 84.3 | Confident | 85 | Confident | 58 Ų | 58 | 44.1 Ų | 44.1 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -82.6 | 2.5 | 175.9 | 50.9 | 0 | 0 | 0 | 0 | 114 | ||
| 1486 | H | 86.9 | Confident | 85.5 | Confident | 88 Ų | 88 | 39 Ų | 39 | 41% | 0.407 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -137.9 | 169.2 | -176 | -35.3 | 112 | 0 | 0 | 0 | 110.2 | Y1484 T1753 | Y1484-H1486 PolarHBondContact O-N 2.96Å; H1486-T1753 CarbonylContact C-O 3.58Å; H1486-T1753 VanDerWaalsContact CA-O 3.23Å; H1486-T1753 WeakPolarHBondContact CA-O 3.06Å; H1486-T1753 PolarHBondContact O-N 3.15Å |
| 1487 | P | 92.9 | Very high | 86.1 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 13% | 0.13 | 22% | 0.219 | C | C | . | . | trans | -48.9 | 142.5 | 166.4 | -31.8 | 40.3 | 0 | 0 | 0 | 112.9 | E1489 D1490 | P1487-E1489 VanDerWaalsContact C-N 3.28Å; P1487-E1489 HydrophobicContact CB-CG 4.19Å; P1487-E1489 PolarHBondContact O-N 2.94Å; P1487-D1490 PolarHBondContact O-N 3.38Å; P1487-D1490 VanDerWaalsContact O-N 3.13Å | ||
| 1488 | L | 92.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -61.7 | -36.3 | -177.1 | -173.7 | 71.8 | 0 | 0 | 0 | 112.9 | Y1484 D1490 V1491 F1494 F1497 A1655 V1747 E1752 | Y1484-L1488 HydrophobicContact CD2-CD1 3.82Å; Y1484-L1488 HydrophobicContact CE2-CD1 3.6Å; L1488-D1490 PolarHBondContact O-N 2.89Å; L1488-V1491 WeakPolarHBondContact O-CB 3.19Å; L1488-V1491 WeakPolarHBondContact O-CG2 3.46Å; L1488-V1491 PolarHBondContact O-N 3.19Å; L1488-F1494 HydrophobicContact CD1-CE2 4.25Å; L1488-F1497 HydrophobicContact CB-CE2 4.27Å; L1488-F1497 HydrophobicContact CD2-CE2 3.89Å; L1488-F1497 HydrophobicContact CD2-CZ 3.78Å; L1488-F1497 HydrophobicContact CG-CE2 3.91Å; L1488-F1497 HydrophobicContact CG-CZ 3.74Å; L1488-A1655 HydrophobicContact CD2-CB 4.24Å; L1488-V1747 HydrophobicContact CD1-CG1 4.35Å; L1488-V1747 HydrophobicContact CD2-CG1 4.07Å; L1488-V1747 HydrophobicContact CD2-CG2 4.43Å; L1488-E1752 HydrophobicContact CB-CB 4.29Å; L1488-E1752 WeakPolarHBondContact CB-OE2 3.16Å; L1488-E1752 PolarHBondContact N-OE2 3.21Å |
| 1489 | E | 91.2 | Very high | 86.7 | Confident | 35 Ų | 35 | 39 Ų | 39 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -63.8 | -23.1 | 177.9 | 54.1 | -91.3 | -155.9 | 0 | 0 | 114 | P1487 G1496 F1497 R1648 R1754 | P1487-E1489 VanDerWaalsContact C-N 3.28Å; P1487-E1489 HydrophobicContact CB-CG 4.19Å; P1487-E1489 PolarHBondContact O-N 2.94Å; E1489-G1496 WeakPolarHBondContact O-CA 3.41Å; E1489-G1496 PolarHBondContact O-N 3.43Å; E1489-G1496 VanDerWaalsContact O-N 3.12Å; E1489-F1497 HydrophobicContact CB-CD2 3.66Å; E1489-F1497 HydrophobicContact CB-CE2 3.9Å; E1489-R1648 IonicContact OE2-CZ 3.41Å; E1489-R1648 IonicContact OE2-NE 3.11Å; E1489-R1648 IonicContact OE2-NH2 2.85Å; E1489-R1648 PolarHBondContact OE2-NH2 3.1Å; E1489-R1754 IonicContact OE1-CZ 3.11Å; E1489-R1754 VanDerWaalsContact OE1-CZ 3.29Å; E1489-R1754 IonicContact OE1-NH1 3.1Å; E1489-R1754 PolarHBondContact OE1-NH1 3.01Å; E1489-R1754 IonicContact OE1-NH2 3.18Å; E1489-R1754 PolarHBondContact OE1-NH2 3.04Å; E1489-R1754 IonicContact OE2-NH1 3.69Å; E1489-R1754 PolarHBondContact OE2-NH1 3.37Å |
| 1490 | D | 89.3 | Confident | 86.8 | Confident | 110 Ų | 110 | 40.3 Ų | 40.3 | 59% | 0.588 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -88.5 | -3.5 | -178.6 | -63.8 | -23.8 | 0 | 0 | 0 | 113 | P1487 L1488 E1492 | P1487-D1490 PolarHBondContact O-N 3.38Å; P1487-D1490 VanDerWaalsContact O-N 3.13Å; L1488-D1490 PolarHBondContact O-N 2.89Å; D1490-E1492 PolarHBondContact O-N 3.01Å |
| 1491 | V | 84.5 | Confident | 86.7 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -66.6 | 131.8 | 178.6 | 177 | 0 | 0 | 0 | 0 | 110.4 | Y1484 L1488 G1493 F1494 | Y1484-V1491 HydrophobicContact CD1-CG1 4.37Å; Y1484-V1491 HydrophobicContact CD1-CG2 3.6Å; Y1484-V1491 HydrophobicContact CD2-CG2 4.34Å; Y1484-V1491 HydrophobicContact CE1-CG1 3.84Å; Y1484-V1491 HydrophobicContact CE1-CG2 3.78Å; Y1484-V1491 HydrophobicContact CE2-CG2 4.48Å; Y1484-V1491 HydrophobicContact CG-CG2 3.9Å; L1488-V1491 WeakPolarHBondContact O-CB 3.19Å; L1488-V1491 WeakPolarHBondContact O-CG2 3.46Å; L1488-V1491 PolarHBondContact O-N 3.19Å; V1491-G1493 PolarHBondContact O-N 3.1Å; V1491-F1494 HydrophobicContact CB-CD2 3.69Å; V1491-F1494 HydrophobicContact CB-CE2 4Å; V1491-F1494 HydrophobicContact CG1-CD2 4.01Å; V1491-F1494 HydrophobicContact CG1-CE2 3.93Å; V1491-F1494 HydrophobicContact CG2-CD2 4.49Å; V1491-F1494 PolarHBondContact O-N 2.99Å; V1491-F1494 VanDerWaalsContact O-N 3.13Å |
| 1492 | E | 77.1 | Confident | 86.8 | Confident | 133 Ų | 133 | 39.5 Ų | 39.5 | 62% | 0.621 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 131.4 | -179 | -162.8 | 179 | -180 | 0 | 0 | 111.4 | D1490 | D1490-E1492 PolarHBondContact O-N 3.01Š|
| 1493 | G | 74.8 | Confident | 86.8 | Confident | 23 Ų | 23 | 41.3 Ų | 41.3 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -15.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1491 Y1653 | V1491-G1493 PolarHBondContact O-N 3.1Å; G1493-Y1653 PolarHBondContact O-OH 3.02Å |
| 1494 | F | 84.6 | Confident | 86.9 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -91.9 | -11.7 | 175.3 | -65.6 | -23.6 | 0 | 0 | 0 | 114.5 | L1488 V1491 G1496 F1497 Y1653 V1747 | L1488-F1494 HydrophobicContact CD1-CE2 4.25Å; V1491-F1494 HydrophobicContact CB-CD2 3.69Å; V1491-F1494 HydrophobicContact CB-CE2 4Å; V1491-F1494 HydrophobicContact CG1-CD2 4.01Å; V1491-F1494 HydrophobicContact CG1-CE2 3.93Å; V1491-F1494 HydrophobicContact CG2-CD2 4.49Å; V1491-F1494 PolarHBondContact O-N 2.99Å; V1491-F1494 VanDerWaalsContact O-N 3.13Å; F1494-G1496 VanDerWaalsContact C-N 3.29Å; F1494-G1496 PolarHBondContact O-N 3.29Å; F1494-F1497 HydrophobicContact CB-CD1 4.04Å; F1494-F1497 HydrophobicContact CB-CE1 3.55Å; F1494-F1497 HydrophobicContact CB-CZ 4.16Å; F1494-F1497 HydrophobicContact CD1-CE1 4.35Å; F1494-F1497 AromaticContact CD2-CE1 3.81Å; F1494-F1497 HydrophobicContact CD2-CE1 3.81Å; F1494-F1497 AromaticContact CD2-CZ 3.81Å; F1494-F1497 HydrophobicContact CD2-CZ 3.81Å; F1494-F1497 AromaticContact CG-CE1 3.66Å; F1494-F1497 HydrophobicContact CG-CE1 3.66Å; F1494-F1497 HydrophobicContact CG-CZ 4.14Å; F1494-F1497 PolarHBondContact O-N 2.91Å; F1494-Y1653 HydrophobicContact CB-CD2 4.33Å; F1494-Y1653 HydrophobicContact CD1-CD1 4.07Å; F1494-Y1653 HydrophobicContact CD1-CD2 4.24Å; F1494-Y1653 AromaticContact CD1-CG 3.86Å; F1494-Y1653 HydrophobicContact CD1-CG 3.86Å; F1494-Y1653 WeakPolarHBondContact O-CE2 3.49Å; F1494-V1747 HydrophobicContact CD2-CG2 4.39Å; F1494-V1747 HydrophobicContact CE1-CG2 4.2Å; F1494-V1747 HydrophobicContact CE2-CG2 3.86Å; F1494-V1747 HydrophobicContact CZ-CB 4.5Å; F1494-V1747 HydrophobicContact CZ-CG2 3.76Å |
| 1495 | N | 79.2 | Confident | 86.9 | Confident | 104 Ų | 104 | 44 Ų | 44 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | 52.2 | 41.7 | 171.6 | -57.2 | -35.3 | 0 | 0 | 0 | 113.8 | F1497 T1498 Y1653 | N1495-F1497 PolarHBondContact O-N 2.9Å; N1495-F1497 VanDerWaalsContact O-N 3.11Å; N1495-T1498 PolarHBondContact O-N 3.31Å; N1495-T1498 PolarHBondContact O-OG1 3.26Å; N1495-Y1653 PolarHBondContact ND2-OH 3.4Å; N1495-Y1653 VanDerWaalsContact ND2-OH 3.17Å |
| 1496 | G | 85.9 | Confident | 87.2 | Confident | 29 Ų | 29 | 41.2 Ų | 41.2 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | 67.6 | 10.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1489 F1494 T1498 | E1489-G1496 WeakPolarHBondContact O-CA 3.41Å; E1489-G1496 PolarHBondContact O-N 3.43Å; E1489-G1496 VanDerWaalsContact O-N 3.12Å; F1494-G1496 VanDerWaalsContact C-N 3.29Å; F1494-G1496 PolarHBondContact O-N 3.29Å; G1496-T1498 PolarHBondContact O-N 2.77Å |
| 1497 | F | 90.8 | Very high | 87 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | 55.2 | 31 | -168.7 | -56.3 | -47 | 0 | 0 | 0 | 113.9 | L1488 E1489 F1494 N1495 N1647 R1648 T1651 Y1653 A1655 V1747 | L1488-F1497 HydrophobicContact CB-CE2 4.27Å; L1488-F1497 HydrophobicContact CD2-CE2 3.89Å; L1488-F1497 HydrophobicContact CD2-CZ 3.78Å; L1488-F1497 HydrophobicContact CG-CE2 3.91Å; L1488-F1497 HydrophobicContact CG-CZ 3.74Å; E1489-F1497 HydrophobicContact CB-CD2 3.66Å; E1489-F1497 HydrophobicContact CB-CE2 3.9Å; F1494-F1497 HydrophobicContact CB-CD1 4.04Å; F1494-F1497 HydrophobicContact CB-CE1 3.55Å; F1494-F1497 HydrophobicContact CB-CZ 4.16Å; F1494-F1497 HydrophobicContact CD1-CE1 4.35Å; F1494-F1497 AromaticContact CD2-CE1 3.81Å; F1494-F1497 HydrophobicContact CD2-CE1 3.81Å; F1494-F1497 AromaticContact CD2-CZ 3.81Å; F1494-F1497 HydrophobicContact CD2-CZ 3.81Å; F1494-F1497 AromaticContact CG-CE1 3.66Å; F1494-F1497 HydrophobicContact CG-CE1 3.66Å; F1494-F1497 HydrophobicContact CG-CZ 4.14Å; F1494-F1497 PolarHBondContact O-N 2.91Å; N1495-F1497 PolarHBondContact O-N 2.9Å; N1495-F1497 VanDerWaalsContact O-N 3.11Å; F1497-N1647 HydrophobicContact CB-CB 4.11Å; F1497-R1648 HydrophobicContact CD2-CG 4.08Å; F1497-R1648 HydrophobicContact CE2-CG 4.3Å; F1497-T1651 HydrophobicContact CB-CG2 4.28Å; F1497-T1651 HydrophobicContact CD1-CG2 3.7Å; F1497-T1651 HydrophobicContact CE1-CG2 4.26Å; F1497-T1651 HydrophobicContact CG-CG2 4.1Å; F1497-Y1653 HydrophobicContact CD1-CD2 4.07Å; F1497-Y1653 HydrophobicContact CE1-CD2 4.38Å; F1497-A1655 HydrophobicContact CD1-CB 4.31Å; F1497-A1655 HydrophobicContact CD2-CB 4.34Å; F1497-A1655 HydrophobicContact CE1-CB 3.84Å; F1497-A1655 HydrophobicContact CE2-CB 3.88Å; F1497-A1655 HydrophobicContact CZ-CB 3.6Å; F1497-V1747 HydrophobicContact CE1-CG2 4.12Å; F1497-V1747 HydrophobicContact CZ-CG2 4.1Å |
| 1498 | T | 86.7 | Confident | 86.3 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | trans | -97.2 | 12.2 | 178.6 | 62.1 | 0 | 0 | 0 | 0 | 113.3 | N1495 G1496 F1500 C1501 | N1495-T1498 PolarHBondContact O-N 3.31Å; N1495-T1498 PolarHBondContact O-OG1 3.26Å; G1496-T1498 PolarHBondContact O-N 2.77Å; T1498-F1500 VanDerWaalsContact C-N 3.35Å; T1498-F1500 PolarHBondContact O-N 2.82Å; T1498-C1501 CarbonylContact O-C 3.49Å | ||
| 1499 | D | 84.8 | Confident | 84.8 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -66.3 | -32.4 | -175.3 | 61.2 | -71.7 | 0 | 0 | 0 | 113.7 | T1651 K1652 Y1653 | D1499-T1651 WeakPolarHBondContact OD1-CA 3.5Å; D1499-T1651 VanDerWaalsContact OD1-CB 3.23Å; D1499-T1651 WeakPolarHBondContact OD1-CB 3.49Å; D1499-T1651 PolarHBondContact OD1-OG1 2.88Å; D1499-K1652 HydrophobicContact CB-CD 4.35Å; D1499-K1652 WeakPolarHBondContact OD2-CB 3.42Å; D1499-K1652 WeakPolarHBondContact OD2-CD 3.39Å; D1499-K1652 WeakPolarHBondContact OD2-CG 3.23Å; D1499-K1652 PolarHBondContact OD2-N 2.87Å; D1499-Y1653 HydrophobicContact CB-CE2 4.07Å |
| 1500 | F | 88 | Confident | 83.3 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -77.2 | -53.5 | 174.6 | 179.2 | -98.2 | 0 | 0 | 0 | 111.5 | L1302 W1304 T1498 T1526 L1548 V1550 L1650 | L1302-F1500 HydrophobicContact CD2-CD1 4.38Å; L1302-F1500 HydrophobicContact CD2-CE1 3.95Å; L1302-F1500 HydrophobicContact CD2-CE2 4.28Å; L1302-F1500 HydrophobicContact CD2-CZ 3.9Å; W1304-F1500 AromaticContact CD2-CE1 3.81Å; W1304-F1500 HydrophobicContact CD2-CE1 3.81Å; W1304-F1500 HydrophobicContact CD2-CZ 4.3Å; W1304-F1500 AromaticContact CE2-CE1 3.9Å; W1304-F1500 AromaticContact CE3-CE1 3.94Å; W1304-F1500 HydrophobicContact CE3-CE1 3.94Å; W1304-F1500 AromaticContact CE3-CZ 3.97Å; W1304-F1500 HydrophobicContact CE3-CZ 3.97Å; W1304-F1500 HydrophobicContact CG-CE1 4.31Å; W1304-F1500 HydrophobicContact CH2-CE1 4.22Å; W1304-F1500 AromaticContact CH2-CZ 3.97Å; W1304-F1500 HydrophobicContact CH2-CZ 3.97Å; W1304-F1500 HydrophobicContact CZ2-CE1 4.11Å; W1304-F1500 HydrophobicContact CZ2-CZ 4.3Å; W1304-F1500 HydrophobicContact CZ3-CE1 4.15Å; W1304-F1500 AromaticContact CZ3-CZ 3.8Å; W1304-F1500 HydrophobicContact CZ3-CZ 3.8Å; T1498-F1500 VanDerWaalsContact C-N 3.35Å; T1498-F1500 PolarHBondContact O-N 2.82Å; F1500-T1526 VanDerWaalsContact O-CG2 3.28Å; F1500-T1526 WeakPolarHBondContact O-CG2 3.42Å; F1500-L1548 HydrophobicContact CE2-CD2 4.38Å; F1500-V1550 HydrophobicContact CE2-CG2 4.5Å; F1500-L1650 HydrophobicContact CB-CB 4.12Å; F1500-L1650 HydrophobicContact CD1-CB 3.98Å; F1500-L1650 HydrophobicContact CD1-CD1 3.69Å; F1500-L1650 HydrophobicContact CD1-CD2 4.43Å; F1500-L1650 HydrophobicContact CD1-CG 4.25Å; F1500-L1650 HydrophobicContact CE1-CD1 3.88Å; F1500-L1650 HydrophobicContact CE1-CD2 4.3Å; F1500-L1650 HydrophobicContact CG-CB 4.06Å |
| 1501 | C | 88 | Confident | 81.7 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | trans | -151.8 | 153.9 | 173.8 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | L1302 T1498 T1526 | L1302-C1501 HydrophobicContact CD2-CB 4.4Å; T1498-C1501 CarbonylContact O-C 3.49Å; C1501-T1526 HydrophobicContact CB-CG2 4.47Å | ||
| 1502 | N | 90.4 | Very high | 80.1 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 160.3 | 174.1 | -57.1 | 90.7 | 0 | 0 | 0 | 110.7 | F1393 F1504 K1524 G1525 T1526 | F1393-N1502 WeakPolarHBondContact CE1-OD1 3.41Å; N1502-F1504 HydrophobicContact CB-CE1 4.46Å; N1502-F1504 HydrophobicContact CB-CE2 3.88Å; N1502-F1504 HydrophobicContact CB-CZ 3.81Å; N1502-K1524 WeakPolarHBondContact O-CA 3.32Å; N1502-G1525 WeakPolarHBondContact CA-O 3.35Å; N1502-G1525 WeakPolarHBondContact CB-O 3.17Å; N1502-G1525 PolarHBondContact N-O 2.93Å; N1502-G1525 PolarHBondContact O-N 2.79Å; N1502-G1525 VanDerWaalsContact O-O 3.07Å; N1502-T1526 WeakPolarHBondContact OD1-CB 3.39Å; N1502-T1526 PolarHBondContact OD1-OG1 2.87Å |
| 1503 | T | 90.6 | Very high | 78.7 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.8 | 170.9 | -56.2 | 0 | 0 | 0 | 0 | 108.9 | E1522 K1524 | T1503-E1522 HydrophobicContact CG2-CB 4.02Å; T1503-E1522 HydrophobicContact CG2-CG 3.75Å; T1503-K1524 HydrophobicContact CG2-CG 4.48Å; T1503-K1524 VanDerWaalsContact OG1-CE 3.31Å; T1503-K1524 WeakPolarHBondContact OG1-CE 3.46Å |
| 1504 | F | 92.5 | Very high | 77.5 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.6 | 178.1 | -59.4 | -80.3 | 0 | 0 | 0 | 109.8 | I1368 H1385 L1387 F1393 N1502 L1506 E1522 F1523 G1525 F1527 | I1368-F1504 HydrophobicContact CD1-CD2 4.41Å; I1368-F1504 HydrophobicContact CD1-CG 4.34Å; H1385-F1504 HydrophobicContact CB-CB 4.42Å; H1385-F1504 AromaticContact CD2-CD1 3.79Å; H1385-F1504 AromaticContact NE2-CD1 3.51Å; L1387-F1504 HydrophobicContact CD1-CE1 4.09Å; F1393-F1504 HydrophobicContact CE1-CZ 4.42Å; F1393-F1504 HydrophobicContact CZ-CE1 4.25Å; F1393-F1504 AromaticContact CZ-CZ 3.91Å; F1393-F1504 HydrophobicContact CZ-CZ 3.91Å; N1502-F1504 HydrophobicContact CB-CE1 4.46Å; N1502-F1504 HydrophobicContact CB-CE2 3.88Å; N1502-F1504 HydrophobicContact CB-CZ 3.81Å; F1504-L1506 PolarHBondContact O-N 2.89Å; F1504-E1522 WeakPolarHBondContact O-CA 3.49Å; F1504-F1523 HydrophobicContact CB-CD1 4.19Å; F1504-F1523 AromaticContact CD2-CD1 3.57Å; F1504-F1523 HydrophobicContact CD2-CD1 3.57Å; F1504-F1523 AromaticContact CD2-CE1 3.83Å; F1504-F1523 HydrophobicContact CD2-CE1 3.83Å; F1504-F1523 HydrophobicContact CE2-CD1 4.39Å; F1504-F1523 HydrophobicContact CE2-CE1 4.2Å; F1504-F1523 HydrophobicContact CG-CD1 4.26Å; F1504-F1523 PolarHBondContact N-O 2.86Å; F1504-F1523 PolarHBondContact O-N 3Å; F1504-G1525 VanDerWaalsContact CE2-O 3.29Å; F1504-G1525 WeakPolarHBondContact CE2-O 3.43Å; F1504-F1527 HydrophobicContact CE1-CE2 4.4Å; F1504-F1527 AromaticContact CE2-CE2 3.77Å; F1504-F1527 HydrophobicContact CE2-CE2 3.77Å; F1504-F1527 HydrophobicContact CE2-CZ 4.37Å; F1504-F1527 HydrophobicContact CZ-CD2 4.21Å; F1504-F1527 AromaticContact CZ-CE2 3.54Å; F1504-F1527 HydrophobicContact CZ-CE2 3.54Å |
| 1505 | T | 90.9 | Very high | 75.8 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 126.1 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | H1385 Y1519 | H1385-T1505 PolarHBondContact ND1-O 3.27Å; T1505-Y1519 HydrophobicContact CG2-CD2 3.53Å; T1505-Y1519 HydrophobicContact CG2-CE2 3.72Å |
| 1506 | L | 90.3 | Very high | 74.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 136.6 | 176.9 | -57.1 | 167.7 | 0 | 0 | 0 | 109.5 | M1309 V1370 V1384 H1385 F1504 A1520 G1521 F1523 | M1309-L1506 HydrophobicContact CE-CD1 4.1Å; M1309-L1506 HydrophobicContact SD-CD1 3.74Å; V1370-L1506 HydrophobicContact CB-CD1 4.33Å; V1370-L1506 HydrophobicContact CG2-CD1 3.55Å; V1370-L1506 HydrophobicContact CG2-CD2 3.91Å; V1370-L1506 HydrophobicContact CG2-CG 4.41Å; V1384-L1506 WeakPolarHBondContact O-CA 3.36Å; H1385-L1506 HydrophobicContact CB-CD2 4.01Å; F1504-L1506 PolarHBondContact O-N 2.89Å; L1506-A1520 HydrophobicContact CB-CB 4.11Å; L1506-A1520 WeakPolarHBondContact O-CB 3.14Å; L1506-A1520 PolarHBondContact O-N 2.85Å; L1506-G1521 WeakPolarHBondContact CB-O 3.41Å; L1506-G1521 PolarHBondContact N-O 3.28Å; L1506-F1523 HydrophobicContact CD1-CB 4.34Å; L1506-F1523 HydrophobicContact CD2-CB 4.12Å; L1506-F1523 HydrophobicContact CG-CB 4.35Å |
| 1507 | S | 82.3 | Confident | 73 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 163.2 | 174.2 | 58 | 0 | 0 | 0 | 0 | 112.3 | G1383 V1384 N1518 | G1383-S1507 WeakPolarHBondContact CA-O 3.23Å; V1384-S1507 PolarHBondContact N-O 2.9Å; V1384-S1507 PolarHBondContact O-N 2.85Å; S1507-N1518 CarbonylContact C-O 3.58Å; S1507-N1518 WeakPolarHBondContact CA-O 3.4Å |
| 1508 | R | 77.2 | Confident | 72.3 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 24% | 0.238 | 34% | 0.344 | C | S | . | . | trans | -154.9 | 155.4 | 175.5 | 67.9 | -172 | -179.1 | -177.8 | 7.6 | 111.2 | R1310 K1311 N1518 A1520 | R1310-R1508 PolarHBondContact O-NH1 3.47Å; K1311-R1508 VanDerWaalsContact O-CZ 3.23Å; K1311-R1508 PolarHBondContact O-NH1 2.95Å; K1311-R1508 PolarHBondContact O-NH2 2.84Å; R1508-N1518 PolarHBondContact N-O 2.65Å; R1508-N1518 WeakPolarHBondContact O-CA 3.12Å; R1508-N1518 VanDerWaalsContact O-CB 3.26Å; R1508-N1518 WeakPolarHBondContact O-CB 3.42Å; R1508-N1518 VanDerWaalsContact O-CG 3.25Å; R1508-N1518 PolarHBondContact O-OD1 2.88Å; R1508-N1518 VanDerWaalsContact O-OD1 3.1Å; R1508-A1520 HydrophobicContact CB-CB 4.03Å; R1508-A1520 HydrophobicContact CG-CB 3.81Å | ||
| 1509 | G | 62.5 | Low | 72.2 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 21% | 0.206 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 93.6 | 170.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1154 | G1154-G1509 WeakPolarHBondContact CA-O 3.46Š|
| 1510 | K | 58.9 | Low | 72.3 | Confident | 62 Ų | 62 | 62.8 Ų | 62.8 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | trans | -73 | 138 | 179.1 | -68 | -167.4 | -178.1 | -132 | 0 | 109.6 | A1150 D1151 V1512 N1518 | A1150-K1510 WeakPolarHBondContact O-CD 3.26Å; A1150-K1510 WeakPolarHBondContact O-CE 3.13Å; A1150-K1510 VanDerWaalsContact O-CG 3.23Å; A1150-K1510 WeakPolarHBondContact O-CG 3.49Å; A1150-K1510 PolarHBondContact O-NZ 2.85Å; D1151-K1510 VanDerWaalsContact O-CG 3.24Å; D1151-K1510 WeakPolarHBondContact O-CG 3.32Å; K1510-V1512 HydrophobicContact CB-CG2 3.35Å; K1510-V1512 HydrophobicContact CD-CG2 4.07Å; K1510-V1512 HydrophobicContact CG-CG2 4.31Å; K1510-V1512 PolarHBondContact O-N 3.1Å; K1510-N1518 PolarHBondContact O-ND2 2.91Å | ||
| 1511 | N | 56 | Low | 72.5 | Confident | 93 Ų | 93 | 61.3 Ų | 61.3 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | trans | -79 | 69.7 | 166.7 | -84.8 | -15.1 | 0 | 0 | 0 | 109.1 | A1149 N1518 | A1149-N1511 PolarHBondContact O-N 2.92Å; A1149-N1511 VanDerWaalsContact O-N 3.09Å; N1511-N1518 PolarHBondContact OD1-ND2 2.8Å | ||
| 1512 | V | 51.2 | Low | 72.8 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | trans | -87.9 | -43.4 | 180 | -166.5 | 0 | 0 | 0 | 0 | 111.3 | K1510 | K1510-V1512 HydrophobicContact CB-CG2 3.35Å; K1510-V1512 HydrophobicContact CD-CG2 4.07Å; K1510-V1512 HydrophobicContact CG-CG2 4.31Å; K1510-V1512 PolarHBondContact O-N 3.1Å | ||
| 1513 | D | 48.2 | Very low | 73 | Confident | 98 Ų | 98 | 60.8 Ų | 60.8 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | trans | -124 | 138.9 | -173.3 | -70.4 | -42.5 | 0 | 0 | 0 | 111.5 | D1515 E1516 | D1513-D1515 PolarHBondContact O-N 2.81Å; D1513-E1516 HydrophobicContact CB-CG 4.45Å; D1513-E1516 PolarHBondContact O-N 3.18Å | ||
| 1514 | E | 49.6 | Very low | 73.2 | Confident | 167 Ų | 167 | 58.4 Ų | 58.4 | 78% | 0.78 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -15 | 175.5 | -64.2 | -179.2 | -161 | 0 | 0 | 112.7 | K1254 | K1254-E1514 IonicContact NZ-OE1 3.86Å; K1254-E1514 PolarHBondContact NZ-OE1 3.09Å; K1254-E1514 IonicContact NZ-OE2 2.94Å; K1254-E1514 PolarHBondContact NZ-OE2 2.9Å |
| 1515 | D | 47.5 | Very low | 73.3 | Confident | 160 Ų | 160 | 57.8 Ų | 57.8 | 86% | 0.856 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -9.1 | -175.2 | -61.6 | -39.5 | 0 | 0 | 0 | 114.4 | D1513 | D1513-D1515 PolarHBondContact O-N 2.81Š|
| 1516 | E | 49.6 | Very low | 73.4 | Confident | 120 Ų | 120 | 54.4 Ų | 54.4 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | trans | -85.7 | 119.1 | 178.5 | -80.1 | -162.7 | 160.4 | 0 | 0 | 112.2 | D1513 N1518 | D1513-E1516 HydrophobicContact CB-CG 4.45Å; D1513-E1516 PolarHBondContact O-N 3.18Å; E1516-N1518 PolarHBondContact O-N 3.27Å | ||
| 1517 | D | 58 | Low | 73.6 | Confident | 104 Ų | 104 | 54.4 Ų | 54.4 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | trans | -75.3 | 90.6 | 178.6 | -178.1 | 9.6 | 0 | 0 | 0 | 111.9 | R1310 Y1519 | R1310-D1517 IonicContact CZ-OD2 3.17Å; R1310-D1517 VanDerWaalsContact NH1-CG 3.3Å; R1310-D1517 IonicContact NH1-OD1 2.7Å; R1310-D1517 IonicContact NH1-OD2 2.65Å; R1310-D1517 PolarHBondContact NH1-OD2 3.42Å; R1310-D1517 IonicContact NH2-OD2 2.85Å; R1310-D1517 PolarHBondContact NH2-OD2 2.92Å; D1517-Y1519 PolarHBondContact O-N 3.14Å; D1517-Y1519 VanDerWaalsContact O-N 3.12Å; D1517-Y1519 WeakPolarHBondContact OD1-CB 3.47Å; D1517-Y1519 PolarHBondContact OD1-N 3.28Å; D1517-Y1519 VanDerWaalsContact OD1-N 3.12Å | ||
| 1518 | N | 74.6 | Confident | 74 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | trans | -69.9 | 5.6 | 177.4 | -77.9 | -20.4 | 0 | 0 | 0 | 114.4 | S1507 R1508 K1510 N1511 E1516 A1520 | S1507-N1518 CarbonylContact C-O 3.58Å; S1507-N1518 WeakPolarHBondContact CA-O 3.4Å; R1508-N1518 PolarHBondContact N-O 2.65Å; R1508-N1518 WeakPolarHBondContact O-CA 3.12Å; R1508-N1518 VanDerWaalsContact O-CB 3.26Å; R1508-N1518 WeakPolarHBondContact O-CB 3.42Å; R1508-N1518 VanDerWaalsContact O-CG 3.25Å; R1508-N1518 PolarHBondContact O-OD1 2.88Å; R1508-N1518 VanDerWaalsContact O-OD1 3.1Å; K1510-N1518 PolarHBondContact O-ND2 2.91Å; N1511-N1518 PolarHBondContact OD1-ND2 2.8Å; E1516-N1518 PolarHBondContact O-N 3.27Å; N1518-A1520 PolarHBondContact O-N 2.76Å | ||
| 1519 | Y | 84.9 | Confident | 74.7 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 18% | 0.18 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 129.6 | 177 | -179.2 | -83.6 | 0 | 0 | 0 | 112 | A1308 R1310 T1505 D1517 E1522 | A1308-Y1519 HydrophobicContact CB-CE1 4.45Å; A1308-Y1519 VanDerWaalsContact CB-OH 3.24Å; A1308-Y1519 WeakPolarHBondContact CB-OH 3.48Å; R1310-Y1519 VanDerWaalsContact CD-O 3.28Å; R1310-Y1519 WeakPolarHBondContact CD-O 2.86Å; R1310-Y1519 HydrophobicContact CG-CD1 4.13Å; R1310-Y1519 HydrophobicContact CG-CE1 4.39Å; R1310-Y1519 VanDerWaalsContact NE-CD1 3.34Å; R1310-Y1519 PolarHBondContact NH1-O 2.74Å; T1505-Y1519 HydrophobicContact CG2-CD2 3.53Å; T1505-Y1519 HydrophobicContact CG2-CE2 3.72Å; D1517-Y1519 PolarHBondContact O-N 3.14Å; D1517-Y1519 VanDerWaalsContact O-N 3.12Å; D1517-Y1519 WeakPolarHBondContact OD1-CB 3.47Å; D1517-Y1519 PolarHBondContact OD1-N 3.28Å; D1517-Y1519 VanDerWaalsContact OD1-N 3.12Å; Y1519-E1522 HydrophobicContact CE2-CG 4.43Å; Y1519-E1522 WeakPolarHBondContact OH-CG 3.43Å; Y1519-E1522 PolarHBondContact OH-OE1 3.43Å |
| 1520 | A | 87.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -24.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1310 V1382 L1506 R1508 N1518 | R1310-A1520 PolarHBondContact N-O 2.79Å; V1382-A1520 WeakPolarHBondContact O-CB 3.41Å; L1506-A1520 HydrophobicContact CB-CB 4.11Å; L1506-A1520 WeakPolarHBondContact O-CB 3.14Å; L1506-A1520 PolarHBondContact O-N 2.85Å; R1508-A1520 HydrophobicContact CB-CB 4.03Å; R1508-A1520 HydrophobicContact CG-CB 3.81Å; N1518-A1520 PolarHBondContact O-N 2.76Å |
| 1521 | G | 91.8 | Very high | 77.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | -159.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1308 L1506 | A1308-G1521 WeakPolarHBondContact O-CA 3.18Å; L1506-G1521 WeakPolarHBondContact CB-O 3.41Å; L1506-G1521 PolarHBondContact N-O 3.28Å |
| 1522 | E | 94.4 | Very high | 79.3 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.1 | -176.7 | -80.1 | 161.3 | -153.5 | 0 | 0 | 111.3 | V1306 R1307 T1503 F1504 Y1519 K1620 | V1306-E1522 CarbonylContact C-O 3.53Å; V1306-E1522 VanDerWaalsContact CA-O 3.28Å; V1306-E1522 WeakPolarHBondContact CA-O 3.35Å; R1307-E1522 HydrophobicContact CB-CB 3.93Å; R1307-E1522 PolarHBondContact N-O 3.41Å; R1307-E1522 PolarHBondContact O-N 3.15Å; T1503-E1522 HydrophobicContact CG2-CB 4.02Å; T1503-E1522 HydrophobicContact CG2-CG 3.75Å; F1504-E1522 WeakPolarHBondContact O-CA 3.49Å; Y1519-E1522 HydrophobicContact CE2-CG 4.43Å; Y1519-E1522 WeakPolarHBondContact OH-CG 3.43Å; Y1519-E1522 PolarHBondContact OH-OE1 3.43Å; E1522-K1620 IonicContact OE2-NZ 2.75Å; E1522-K1620 PolarHBondContact OE2-NZ 2.93Å |
| 1523 | F | 95.5 | Very high | 81 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128 | 167 | 164.6 | -108.6 | 0 | 0 | 0 | 109.2 | C1303 G1305 V1322 F1324 I1368 F1504 L1506 | C1303-F1523 HydrophobicContact CB-CE2 4.49Å; G1305-F1523 WeakPolarHBondContact O-CD2 3.45Å; V1322-F1523 HydrophobicContact CG1-CE2 4.45Å; V1322-F1523 HydrophobicContact CG2-CD2 3.97Å; V1322-F1523 HydrophobicContact CG2-CE2 4.21Å; F1324-F1523 AromaticContact CE1-CE1 3.77Å; F1324-F1523 HydrophobicContact CE1-CE1 3.77Å; F1324-F1523 AromaticContact CE1-CZ 3.69Å; F1324-F1523 HydrophobicContact CE1-CZ 3.69Å; F1324-F1523 AromaticContact CZ-CE1 3.97Å; F1324-F1523 HydrophobicContact CZ-CE1 3.97Å; F1324-F1523 AromaticContact CZ-CE2 3.93Å; F1324-F1523 HydrophobicContact CZ-CE2 3.93Å; F1324-F1523 AromaticContact CZ-CZ 3.39Å; F1324-F1523 HydrophobicContact CZ-CZ 3.39Å; I1368-F1523 HydrophobicContact CD1-CD1 4.13Å; I1368-F1523 HydrophobicContact CD1-CE1 4.19Å; I1368-F1523 HydrophobicContact CG2-CD1 3.65Å; I1368-F1523 HydrophobicContact CG2-CE1 4.03Å; I1368-F1523 HydrophobicContact CG2-CG 4.02Å; F1504-F1523 HydrophobicContact CB-CD1 4.19Å; F1504-F1523 AromaticContact CD2-CD1 3.57Å; F1504-F1523 HydrophobicContact CD2-CD1 3.57Å; F1504-F1523 AromaticContact CD2-CE1 3.83Å; F1504-F1523 HydrophobicContact CD2-CE1 3.83Å; F1504-F1523 HydrophobicContact CE2-CD1 4.39Å; F1504-F1523 HydrophobicContact CE2-CE1 4.2Å; F1504-F1523 HydrophobicContact CG-CD1 4.26Å; F1504-F1523 PolarHBondContact N-O 2.86Å; F1504-F1523 PolarHBondContact O-N 3Å; L1506-F1523 HydrophobicContact CD1-CB 4.34Å; L1506-F1523 HydrophobicContact CD2-CB 4.12Å; L1506-F1523 HydrophobicContact CG-CB 4.35Å |
| 1524 | K | 94.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.2 | 171.8 | -79.4 | -163.6 | 171.4 | -176.8 | 0 | 110.2 | W1304 G1305 R1307 N1502 T1503 D1644 E1646 N1647 | W1304-K1524 HydrophobicContact CB-CB 4.42Å; W1304-K1524 VanDerWaalsContact CB-O 3.3Å; W1304-K1524 WeakPolarHBondContact CB-O 3.39Å; W1304-K1524 PolarHBondContact N-O 2.88Å; W1304-K1524 VanDerWaalsContact N-O 3.07Å; G1305-K1524 PolarHBondContact N-O 2.96Å; G1305-K1524 PolarHBondContact O-N 3.36Å; R1307-K1524 HydrophobicContact CG-CD 4.35Å; R1307-K1524 HydrophobicContact CG-CG 4.35Å; N1502-K1524 WeakPolarHBondContact O-CA 3.32Å; T1503-K1524 HydrophobicContact CG2-CG 4.48Å; T1503-K1524 VanDerWaalsContact OG1-CE 3.31Å; T1503-K1524 WeakPolarHBondContact OG1-CE 3.46Å; K1524-D1644 IonicContact NZ-OD1 2.71Å; K1524-D1644 PolarHBondContact NZ-OD1 3.35Å; K1524-D1644 IonicContact NZ-OD2 3.57Å; K1524-D1644 PolarHBondContact NZ-OD2 3.23Å; K1524-E1646 VanDerWaalsContact CD-OE2 3.3Å; K1524-E1646 WeakPolarHBondContact CD-OE2 3.31Å; K1524-E1646 WeakPolarHBondContact CE-OE2 3.35Å; K1524-E1646 IonicContact NZ-OE2 3.01Å; K1524-E1646 PolarHBondContact NZ-OE2 3.39Å; K1524-N1647 PolarHBondContact NZ-OD1 3.09Å |
| 1525 | G | 94.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | 178 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1302 N1502 F1504 | L1302-G1525 CarbonylContact O-C 3.59Å; L1302-G1525 WeakPolarHBondContact O-CA 3.43Å; N1502-G1525 WeakPolarHBondContact CA-O 3.35Å; N1502-G1525 WeakPolarHBondContact CB-O 3.17Å; N1502-G1525 PolarHBondContact N-O 2.93Å; N1502-G1525 PolarHBondContact O-N 2.79Å; N1502-G1525 VanDerWaalsContact O-O 3.07Å; F1504-G1525 VanDerWaalsContact CE2-O 3.29Å; F1504-G1525 WeakPolarHBondContact CE2-O 3.43Å |
| 1526 | T | 93.5 | Very high | 85.6 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 172.3 | 173.7 | -167 | 0 | 0 | 0 | 0 | 110.6 | L1302 F1500 C1501 N1502 R1528 F1545 | L1302-T1526 HydrophobicContact CB-CG2 4.01Å; L1302-T1526 HydrophobicContact CD2-CG2 4.14Å; L1302-T1526 PolarHBondContact N-O 3.27Å; L1302-T1526 PolarHBondContact O-N 2.97Å; L1302-T1526 VanDerWaalsContact O-N 3.09Å; F1500-T1526 VanDerWaalsContact O-CG2 3.28Å; F1500-T1526 WeakPolarHBondContact O-CG2 3.42Å; C1501-T1526 HydrophobicContact CB-CG2 4.47Å; N1502-T1526 WeakPolarHBondContact OD1-CB 3.39Å; N1502-T1526 PolarHBondContact OD1-OG1 2.87Å; T1526-R1528 PolarHBondContact OG1-NH1 2.98Å; T1526-F1545 HydrophobicContact CG2-CE1 4.37Å; T1526-F1545 HydrophobicContact CG2-CZ 3.85Å |
| 1527 | F | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.7 | -170.3 | -49.4 | -76.7 | 0 | 0 | 0 | 111.7 | I1299 E1300 I1301 F1324 M1366 I1368 L1387 F1393 F1504 I1529 | I1299-F1527 HydrophobicContact CG2-CD1 4.32Å; E1300-F1527 CarbonylContact O-C 3.43Å; E1300-F1527 VanDerWaalsContact O-CA 3.29Å; E1300-F1527 WeakPolarHBondContact O-CA 3.2Å; I1301-F1527 HydrophobicContact CB-CD1 4.24Å; I1301-F1527 HydrophobicContact CB-CE1 4.35Å; I1301-F1527 HydrophobicContact CG1-CD1 3.88Å; I1301-F1527 HydrophobicContact CG1-CE1 4.08Å; I1301-F1527 HydrophobicContact CG2-CD1 4.03Å; I1301-F1527 HydrophobicContact CG2-CE1 3.7Å; F1324-F1527 AromaticContact CD1-CE1 3.91Å; F1324-F1527 HydrophobicContact CD1-CE1 3.91Å; F1324-F1527 HydrophobicContact CD1-CZ 4.23Å; F1324-F1527 AromaticContact CE1-CE1 3.81Å; F1324-F1527 HydrophobicContact CE1-CE1 3.81Å; F1324-F1527 AromaticContact CE1-CZ 3.94Å; F1324-F1527 HydrophobicContact CE1-CZ 3.94Å; M1366-F1527 HydrophobicContact CE-CD1 3.58Å; M1366-F1527 HydrophobicContact CE-CD2 3.74Å; M1366-F1527 HydrophobicContact CE-CE1 3.26Å; M1366-F1527 HydrophobicContact CE-CE2 3.44Å; M1366-F1527 VanDerWaalsContact CE-CE2 3.44Å; M1366-F1527 HydrophobicContact CE-CG 3.81Å; M1366-F1527 HydrophobicContact CE-CZ 3.2Å; M1366-F1527 HydrophobicContact SD-CD1 4.24Å; M1366-F1527 HydrophobicContact SD-CE1 3.84Å; M1366-F1527 HydrophobicContact SD-CZ 4.22Å; I1368-F1527 HydrophobicContact CD1-CE2 4.29Å; I1368-F1527 HydrophobicContact CD1-CZ 3.82Å; L1387-F1527 HydrophobicContact CD2-CD2 3.97Å; L1387-F1527 HydrophobicContact CD2-CE2 3.88Å; F1393-F1527 HydrophobicContact CB-CB 3.94Å; F1393-F1527 HydrophobicContact CD1-CB 3.96Å; F1393-F1527 AromaticContact CD1-CD2 4Å; F1393-F1527 HydrophobicContact CD1-CD2 4Å; F1393-F1527 HydrophobicContact CD1-CG 4.48Å; F1393-F1527 HydrophobicContact CD2-CD2 4.31Å; F1393-F1527 HydrophobicContact CE1-CD2 4.01Å; F1393-F1527 HydrophobicContact CE2-CD2 4.35Å; F1393-F1527 HydrophobicContact CG-CB 3.95Å; F1393-F1527 HydrophobicContact CG-CD2 4.15Å; F1393-F1527 HydrophobicContact CZ-CD2 4.19Å; F1504-F1527 HydrophobicContact CE1-CE2 4.4Å; F1504-F1527 AromaticContact CE2-CE2 3.77Å; F1504-F1527 HydrophobicContact CE2-CE2 3.77Å; F1504-F1527 HydrophobicContact CE2-CZ 4.37Å; F1504-F1527 HydrophobicContact CZ-CD2 4.21Å; F1504-F1527 AromaticContact CZ-CE2 3.54Å; F1504-F1527 HydrophobicContact CZ-CE2 3.54Å; F1527-I1529 HydrophobicContact CB-CG1 4.48Å |
| 1528 | R | 91.6 | Very high | 88.5 | Confident | 53 Ų | 53 | 44.7 Ų | 44.7 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.6 | 165 | -62.7 | -66.8 | 178.7 | -92.6 | 0.6 | 108.5 | I1299 E1300 F1393 V1395 T1526 Y1544 F1545 | I1299-R1528 WeakPolarHBondContact CA-O 3.35Å; E1300-R1528 HydrophobicContact CB-CB 4.25Å; E1300-R1528 PolarHBondContact N-O 3.43Å; E1300-R1528 PolarHBondContact O-N 3.25Å; F1393-R1528 WeakPolarHBondContact O-CA 3.49Å; V1395-R1528 HydrophobicContact CG2-CB 3.82Å; V1395-R1528 HydrophobicContact CG2-CG 4.38Å; T1526-R1528 PolarHBondContact OG1-NH1 2.98Å; R1528-Y1544 HydrophobicContact CB-CD2 4.27Å; R1528-Y1544 HydrophobicContact CG-CD2 4.46Å; R1528-Y1544 HydrophobicContact CG-CG 4.23Å; R1528-F1545 HydrophobicContact CB-CE2 4.45Å; R1528-F1545 HydrophobicContact CG-CE1 4.15Å; R1528-F1545 HydrophobicContact CG-CE2 3.92Å; R1528-F1545 HydrophobicContact CG-CZ 3.53Å |
| 1529 | I | 92.4 | Very high | 88.7 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.046 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118 | -173.4 | -53.6 | -179.9 | 0 | 0 | 0 | 108.6 | T1297 G1298 I1299 F1390 F1393 K1394 V1395 F1527 | T1297-I1529 HydrophobicContact CG2-CG2 3.52Å; G1298-I1529 WeakPolarHBondContact O-CA 3.06Å; I1299-I1529 HydrophobicContact CG1-CG1 4.22Å; I1299-I1529 HydrophobicContact CG1-CG2 4.39Å; I1299-I1529 HydrophobicContact CG2-CG1 4.19Å; F1390-I1529 HydrophobicContact CB-CD1 4.15Å; F1390-I1529 HydrophobicContact CD1-CD1 3.43Å; F1390-I1529 VanDerWaalsContact CD1-CD1 3.43Å; F1390-I1529 HydrophobicContact CE1-CD1 4.2Å; F1390-I1529 HydrophobicContact CG-CD1 4.15Å; F1393-I1529 HydrophobicContact CB-CD1 4.14Å; F1393-I1529 HydrophobicContact CB-CG1 4.26Å; F1393-I1529 PolarHBondContact O-N 3.02Å; K1394-I1529 WeakPolarHBondContact CA-O 3.3Å; K1394-I1529 HydrophobicContact CG-CB 4.29Å; K1394-I1529 HydrophobicContact CG-CG2 4.49Å; V1395-I1529 PolarHBondContact N-O 3.23Å; F1527-I1529 HydrophobicContact CB-CG1 4.48Å |
| 1530 | Y | 91.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 151.6 | -177.3 | 55.6 | -89.3 | 0 | 0 | 0 | 112 | T1297 G1298 E1300 V1395 A1397 L1532 P1541 Y1544 | T1297-Y1530 WeakPolarHBondContact CG2-O 3.32Å; G1298-Y1530 PolarHBondContact N-O 2.75Å; G1298-Y1530 PolarHBondContact O-N 3.05Å; E1300-Y1530 HydrophobicContact CG-CE1 3.88Å; E1300-Y1530 WeakPolarHBondContact OE1-CE1 3.43Å; E1300-Y1530 PolarHBondContact OE1-OH 3.1Å; V1395-Y1530 HydrophobicContact CG2-CD1 4.03Å; V1395-Y1530 WeakPolarHBondContact O-CB 3.47Å; A1397-Y1530 HydrophobicContact CB-CD2 4.21Å; Y1530-L1532 HydrophobicContact CD2-CD2 4.14Å; Y1530-L1532 HydrophobicContact CE2-CD2 3.66Å; Y1530-P1541 HydrophobicContact CD2-CG 4.5Å; Y1530-P1541 HydrophobicContact CE2-CB 4.11Å; Y1530-P1541 HydrophobicContact CE2-CG 4.2Å; Y1530-Y1544 HydrophobicContact CD1-CD2 4.32Å; Y1530-Y1544 HydrophobicContact CD1-CE2 4.32Å; Y1530-Y1544 HydrophobicContact CE1-CD2 4.17Å |
| 1531 | P | 90.7 | Very high | 88.4 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 144.4 | 178.5 | 28.5 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 1532 | L | 90.9 | Very high | 87.9 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | trans | -106 | 158.3 | 173.8 | -63.6 | 177.4 | 0 | 0 | 0 | 110.5 | R1296 F1351 D1353 Y1530 L1540 P1541 | R1296-L1532 HydrophobicContact CB-CB 4.37Å; R1296-L1532 HydrophobicContact CG-CB 4.08Å; R1296-L1532 HydrophobicContact CG-CD1 4.25Å; R1296-L1532 PolarHBondContact O-N 2.98Å; F1351-L1532 HydrophobicContact CZ-CD1 4.09Å; D1353-L1532 HydrophobicContact CB-CD1 4.35Å; Y1530-L1532 HydrophobicContact CD2-CD2 4.14Å; Y1530-L1532 HydrophobicContact CE2-CD2 3.66Å; L1532-L1540 HydrophobicContact CD1-CD2 4.24Å; L1532-L1540 HydrophobicContact CD2-CD2 4.01Å; L1532-P1541 HydrophobicContact CD2-CG 4.2Å | ||
| 1533 | P | 86.9 | Confident | 87.5 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 20% | 0.195 | 30% | 0.298 | C | S | . | . | trans | -54.5 | 141.3 | 170.7 | -25.2 | 34.2 | 0 | 0 | 0 | 112.8 | R1296 D1535 E1538 | R1296-P1533 PolarHBondContact NH1-O 3.37Å; P1533-D1535 PolarHBondContact O-N 2.53Å; P1533-E1538 HydrophobicContact CB-CB 3.79Å; P1533-E1538 WeakPolarHBondContact CB-OE2 3.36Å; P1533-E1538 HydrophobicContact CG-CB 4.23Å | ||
| 1534 | E | 80.6 | Confident | 86.8 | Confident | 189 Ų | 189 | 63.4 Ų | 63.4 | 88% | 0.883 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -62.8 | -40.8 | -180 | -72.1 | -173.2 | 175.8 | 0 | 0 | 112.2 | P1536 | E1534-P1536 VanDerWaalsContact O-CD 3.32Å; E1534-P1536 WeakPolarHBondContact O-CD 3.49Å |
| 1535 | D | 82.7 | Confident | 86.2 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -78.8 | 118.5 | 174.8 | -172.7 | -8.1 | 0 | 0 | 0 | 110.6 | P1533 K1537 E1538 | P1533-D1535 PolarHBondContact O-N 2.53Å; D1535-K1537 PolarHBondContact O-N 3.19Å; D1535-K1537 WeakPolarHBondContact OD1-CB 3.31Å; D1535-K1537 WeakPolarHBondContact OD1-CG 3.41Å; D1535-K1537 PolarHBondContact OD1-N 3.19Å; D1535-E1538 HydrophobicContact CB-CG 4.18Å; D1535-E1538 PolarHBondContact O-N 3.21Å; D1535-E1538 VanDerWaalsContact O-N 3.07Å |
| 1536 | P | 78.7 | Confident | 85.1 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -17.9 | 173.1 | -23.2 | 35.2 | 0 | 0 | 0 | 115.9 | R1296 E1534 | R1296-P1536 VanDerWaalsContact NH1-CA 3.26Å; E1534-P1536 VanDerWaalsContact O-CD 3.32Å; E1534-P1536 WeakPolarHBondContact O-CD 3.49Å |
| 1537 | K | 84.4 | Confident | 83.9 | Confident | 190 Ų | 190 | 79.2 Ų | 79.2 | 83% | 0.826 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -16.6 | 178.7 | -61.5 | 173.6 | -176.6 | 170.5 | 0 | 113.4 | D1535 | D1535-K1537 PolarHBondContact O-N 3.19Å; D1535-K1537 WeakPolarHBondContact OD1-CB 3.31Å; D1535-K1537 WeakPolarHBondContact OD1-CG 3.41Å; D1535-K1537 PolarHBondContact OD1-N 3.19Å |
| 1538 | E | 84 | Confident | 82.9 | Confident | 117 Ų | 117 | 81.7 Ų | 81.7 | 55% | 0.547 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -69.6 | 152.8 | 175.3 | -78.6 | -174.2 | -166.5 | 0 | 0 | 111.5 | P1533 D1535 L1540 | P1533-E1538 HydrophobicContact CB-CB 3.79Å; P1533-E1538 WeakPolarHBondContact CB-OE2 3.36Å; P1533-E1538 HydrophobicContact CG-CB 4.23Å; D1535-E1538 HydrophobicContact CB-CG 4.18Å; D1535-E1538 PolarHBondContact O-N 3.21Å; D1535-E1538 VanDerWaalsContact O-N 3.07Å; E1538-L1540 PolarHBondContact O-N 2.66Å |
| 1539 | Q | 80.3 | Confident | 81.8 | Confident | 186 Ų | 186 | 83.7 Ų | 83.7 | 87% | 0.869 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 124.9 | -177.8 | -169.7 | 169.3 | 2.4 | 0 | 0 | 110 | ||
| 1540 | L | 82.8 | Confident | 81.1 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 145.6 | 178.3 | -67 | 172 | 0 | 0 | 0 | 110.9 | L1532 E1538 | L1532-L1540 HydrophobicContact CD1-CD2 4.24Å; L1532-L1540 HydrophobicContact CD2-CD2 4.01Å; E1538-L1540 PolarHBondContact O-N 2.66Å |
| 1541 | P | 82.9 | Confident | 80.7 | Confident | 25 Ų | 25 | 88.5 Ų | 88.5 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -55 | 153.4 | 170.4 | -23.7 | 33.4 | 0 | 0 | 0 | 112.2 | A1397 Y1530 L1532 | A1397-P1541 HydrophobicContact CB-CB 4.17Å; A1397-P1541 HydrophobicContact CB-CG 3.94Å; Y1530-P1541 HydrophobicContact CD2-CG 4.5Å; Y1530-P1541 HydrophobicContact CE2-CB 4.11Å; Y1530-P1541 HydrophobicContact CE2-CG 4.2Å; L1532-P1541 HydrophobicContact CD2-CG 4.2Å |
| 1542 | I | 81.7 | Confident | 80.3 | Confident | 44 Ų | 44 | 86.4 Ų | 86.4 | 23% | 0.226 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 136.2 | 177.9 | -62.3 | 165.7 | 0 | 0 | 0 | 108.7 | R1398 Q1401 E1546 | R1398-I1542 HydrophobicContact CB-CB 4.47Å; R1398-I1542 WeakPolarHBondContact CB-O 2.99Å; R1398-I1542 HydrophobicContact CG-CB 4.28Å; R1398-I1542 PolarHBondContact O-N 3.32Å; Q1401-I1542 HydrophobicContact CG-CD1 3.91Å; I1542-E1546 WeakPolarHBondContact CG2-OE2 3.38Å |
| 1543 | R | 84.6 | Confident | 80.2 | Confident | 111 Ų | 111 | 90.7 Ų | 90.7 | 42% | 0.419 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 140.2 | -177.7 | -70.8 | -177.3 | -174.1 | 174.1 | 1.2 | 111.6 | E1300 R1398 E1546 | E1300-R1543 HydrophobicContact CG-CG 4.48Å; E1300-R1543 WeakPolarHBondContact OE1-CA 3.31Å; E1300-R1543 WeakPolarHBondContact OE2-CB 3.26Å; R1398-R1543 PolarHBondContact NH1-O 2.95Å; R1543-E1546 HydrophobicContact CB-CB 4.08Å |
| 1544 | Y | 80.2 | Confident | 80.5 | Confident | 55 Ų | 55 | 91.1 Ų | 91.1 | 22% | 0.216 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -42.2 | 173.6 | -80.6 | -84.2 | 0 | 0 | 0 | 111.5 | E1300 V1395 P1396 R1398 R1528 Y1530 | E1300-Y1544 VanDerWaalsContact CD-N 3.27Å; E1300-Y1544 PolarHBondContact OE1-N 2.8Å; E1300-Y1544 PolarHBondContact OE2-N 2.86Å; V1395-Y1544 HydrophobicContact CB-CE2 4.24Å; V1395-Y1544 HydrophobicContact CG2-CD2 4Å; V1395-Y1544 HydrophobicContact CG2-CE2 3.48Å; V1395-Y1544 VanDerWaalsContact CG2-CE2 3.48Å; P1396-Y1544 WeakPolarHBondContact O-CE2 3.35Å; P1396-Y1544 PolarHBondContact O-OH 2.67Å; R1398-Y1544 HydrophobicContact CB-CE2 3.99Å; R1528-Y1544 HydrophobicContact CB-CD2 4.27Å; R1528-Y1544 HydrophobicContact CG-CD2 4.46Å; R1528-Y1544 HydrophobicContact CG-CG 4.23Å; Y1530-Y1544 HydrophobicContact CD1-CD2 4.32Å; Y1530-Y1544 HydrophobicContact CD1-CE2 4.32Å; Y1530-Y1544 HydrophobicContact CE1-CD2 4.17Å |
| 1545 | F | 81.7 | Confident | 81 | Confident | 25 Ų | 25 | 84.9 Ų | 84.9 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 18.1 | -179.1 | -53.5 | -47.2 | 0 | 0 | 0 | 114 | E1300 L1302 L1349 T1526 R1528 K1547 | E1300-F1545 HydrophobicContact CB-CD2 3.64Å; E1300-F1545 HydrophobicContact CB-CE2 3.85Å; E1300-F1545 PolarHBondContact OE2-N 3.45Å; L1302-F1545 HydrophobicContact CB-CD2 4.26Å; L1302-F1545 HydrophobicContact CB-CE1 4.49Å; L1302-F1545 HydrophobicContact CB-CE2 3.99Å; L1302-F1545 HydrophobicContact CB-CZ 4.12Å; L1349-F1545 HydrophobicContact CD1-CB 4.42Å; L1349-F1545 WeakPolarHBondContact CD1-O 3.48Å; L1349-F1545 HydrophobicContact CD2-CB 3.52Å; L1349-F1545 HydrophobicContact CD2-CD2 4.44Å; L1349-F1545 HydrophobicContact CD2-CG 4.18Å; T1526-F1545 HydrophobicContact CG2-CE1 4.37Å; T1526-F1545 HydrophobicContact CG2-CZ 3.85Å; R1528-F1545 HydrophobicContact CB-CE2 4.45Å; R1528-F1545 HydrophobicContact CG-CE1 4.15Å; R1528-F1545 HydrophobicContact CG-CE2 3.92Å; R1528-F1545 HydrophobicContact CG-CZ 3.53Å; F1545-K1547 PolarHBondContact O-N 3.33Å; F1545-K1547 VanDerWaalsContact O-N 3.11Å |
| 1546 | E | 72.6 | Confident | 81.6 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -55.9 | -33.8 | -173.5 | -165.2 | 175.6 | -179 | 0 | 0 | 114 | I1542 R1543 | I1542-E1546 WeakPolarHBondContact CG2-OE2 3.38Å; R1543-E1546 HydrophobicContact CB-CB 4.08Å |
| 1547 | K | 67.1 | Low | 82.3 | Confident | 191 Ų | 191 | 80.9 Ų | 80.9 | 83% | 0.83 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -132.6 | 112.2 | 172.6 | -72.2 | -177.3 | -179.7 | 176.9 | 0 | 110.2 | F1545 | F1545-K1547 PolarHBondContact O-N 3.33Å; F1545-K1547 VanDerWaalsContact O-N 3.11Å |
| 1548 | L | 73.3 | Confident | 82.9 | Confident | 52 Ų | 52 | 73.3 Ų | 73.3 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | trans | -75.8 | 127.6 | 166.9 | -67.5 | 171.2 | 0 | 0 | 0 | 109.2 | L1302 P1348 L1349 F1500 V1550 | L1302-L1548 HydrophobicContact CD1-CD1 4.04Å; L1302-L1548 HydrophobicContact CD1-CD2 3.98Å; P1348-L1548 HydrophobicContact CG-CD1 3.8Å; L1349-L1548 HydrophobicContact CD1-CD1 4.16Å; L1349-L1548 HydrophobicContact CD1-CG 4.2Å; L1349-L1548 HydrophobicContact CD2-CD1 3.8Å; L1349-L1548 HydrophobicContact CD2-CD2 4.22Å; L1349-L1548 HydrophobicContact CD2-CG 4.06Å; L1349-L1548 HydrophobicContact CG-CD1 3.92Å; L1349-L1548 HydrophobicContact CG-CG 4.37Å; F1500-L1548 HydrophobicContact CE2-CD2 4.38Å; L1548-V1550 PolarHBondContact O-N 2.78Å | ||
| 1549 | S | 68.8 | Low | 83.4 | Confident | 95 Ų | 95 | 67.8 Ų | 67.8 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -79 | -6 | 174.7 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1550 | V | 76.9 | Confident | 84.1 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 26% | 0.261 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -124 | 135.7 | -174.8 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | W1304 F1500 L1548 L1650 | W1304-V1550 HydrophobicContact CH2-CG1 4.42Å; F1500-V1550 HydrophobicContact CE2-CG2 4.5Å; L1548-V1550 PolarHBondContact O-N 2.78Å; V1550-L1650 HydrophobicContact CG1-CD2 3.73Å |
| 1551 | S | 82.3 | Confident | 84.7 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 51% | 0.51 | 29% | 0.286 | S | S | . | . | trans | -73.8 | 145.4 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | W1304 D1553 | W1304-S1551 WeakPolarHBondContact CH2-O 3.44Å; S1551-D1553 VanDerWaalsContact C-N 3.27Å; S1551-D1553 PolarHBondContact OG-N 2.88Å; S1551-D1553 PolarHBondContact OG-OD2 2.88Å | ||
| 1552 | S | 83.4 | Confident | 85.4 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -77.8 | -11.2 | 172.5 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | N1344 | N1344-S1552 WeakPolarHBondContact CB-O 3.37Å; N1344-S1552 PolarHBondContact ND2-O 2.77Å |
| 1553 | D | 89.1 | Confident | 86.1 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -71.5 | 141.7 | -177.9 | -67.1 | -41.2 | 0 | 0 | 0 | 111.5 | S1551 E1555 | S1551-D1553 VanDerWaalsContact C-N 3.27Å; S1551-D1553 PolarHBondContact OG-N 2.88Å; S1551-D1553 PolarHBondContact OG-OD2 2.88Å; D1553-E1555 PolarHBondContact O-N 2.91Å |
| 1554 | P | 92 | Very high | 86.6 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | trans | -59.9 | 136.5 | 174.8 | -21.7 | 33.2 | 0 | 0 | 0 | 111 | N1342 I1615 L1616 I1618 | N1342-P1554 HydrophobicContact CB-CG 3.78Å; N1342-P1554 VanDerWaalsContact CG-CD 3.47Å; P1554-I1615 HydrophobicContact CB-CG2 3.63Å; P1554-L1616 CarbonylContact C-O 3.57Å; P1554-L1616 VanDerWaalsContact CA-O 3.23Å; P1554-L1616 WeakPolarHBondContact CA-O 3.44Å; P1554-I1618 HydrophobicContact CB-CD1 4.08Å; P1554-I1618 HydrophobicContact CB-CG1 4.34Å; P1554-I1618 HydrophobicContact CG-CD1 4.2Å; P1554-I1618 HydrophobicContact CG-CG1 4.46Å | ||
| 1555 | E | 91.4 | Very high | 87.3 | Confident | 58 Ų | 58 | 47 Ų | 47 | 27% | 0.271 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.1 | -176.5 | -175.6 | 168.1 | -131.1 | 0 | 0 | 109.5 | D1553 C1557 L1616 R1649 P1777 S1779 | D1553-E1555 PolarHBondContact O-N 2.91Å; E1555-C1557 PolarHBondContact O-N 3.5Å; E1555-L1616 PolarHBondContact N-O 2.91Å; E1555-L1616 PolarHBondContact O-N 3.43Å; E1555-R1649 IonicContact OE2-CZ 3.51Å; E1555-R1649 IonicContact OE2-NE 3.72Å; E1555-R1649 PolarHBondContact OE2-NE 2.89Å; E1555-R1649 IonicContact OE2-NH2 3.59Å; E1555-R1649 PolarHBondContact OE2-NH2 2.91Å; E1555-P1777 HydrophobicContact CG-CB 4.33Å; E1555-P1777 WeakPolarHBondContact OE1-CB 3.18Å; E1555-S1779 PolarHBondContact OE1-OG 2.69Å; E1555-S1779 VanDerWaalsContact OE1-OG 3.12Å |
| 1556 | E | 94.9 | Very high | 87.9 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 118.4 | 171.5 | -176.1 | -177.4 | -103.7 | 0 | 0 | 109.1 | K1613 T1778 | E1556-K1613 IonicContact OE1-NZ 3.22Å; E1556-K1613 IonicContact OE2-NZ 3.31Å; E1556-K1613 PolarHBondContact OE2-NZ 3.04Å; E1556-T1778 HydrophobicContact CG-CG2 4Å; E1556-T1778 WeakPolarHBondContact O-CB 3.43Å; E1556-T1778 WeakPolarHBondContact O-CG2 3.44Å; E1556-T1778 PolarHBondContact O-N 2.89Å; E1556-T1778 PolarHBondContact O-OG1 3.1Å |
| 1557 | C | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.9 | 178.8 | -69.4 | 0 | 0 | 0 | 0 | 110.4 | E1555 K1613 C1614 L1616 I1775 F1776 | E1555-C1557 PolarHBondContact O-N 3.5Å; C1557-K1613 CarbonylContact O-C 3.41Å; C1557-K1613 WeakPolarHBondContact O-CA 3.32Å; C1557-C1614 PolarHBondContact N-O 3.31Å; C1557-C1614 PolarHBondContact O-N 3.27Å; C1557-L1616 HydrophobicContact CB-CD1 4.37Å; C1557-L1616 HydrophobicContact CB-CG 4.49Å; C1557-I1775 HydrophobicContact CB-CG2 4.03Å; C1557-F1776 CarbonylContact C-O 3.57Å; C1557-F1776 WeakPolarHBondContact CA-O 3.27Å |
| 1558 | M | 95.3 | Very high | 89.4 | Confident | 31 Ų | 31 | 35.6 Ų | 35.6 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 118.8 | 163.2 | -169.3 | 73 | 69 | 0 | 0 | 108.5 | Q1611 K1613 F1776 T1778 | M1558-Q1611 HydrophobicContact CG-CG 3.88Å; M1558-Q1611 HydrophobicContact SD-CG 3.56Å; M1558-Q1611 VanDerWaalsContact SD-CG 3.56Å; M1558-Q1611 PolarHBondContact SD-NE2 3.02Å; M1558-Q1611 VanDerWaalsContact SD-NE2 3.39Å; M1558-K1613 HydrophobicContact CE-CD 4.41Å; M1558-K1613 HydrophobicContact CE-CG 3.9Å; M1558-K1613 HydrophobicContact SD-CG 3.85Å; M1558-F1776 HydrophobicContact CB-CB 4.35Å; M1558-F1776 PolarHBondContact N-O 3.06Å; M1558-F1776 PolarHBondContact O-N 3.15Å; M1558-T1778 HydrophobicContact CB-CG2 4.36Å |
| 1559 | L | 94.9 | Very high | 90 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.9 | 176.2 | -168.6 | 83.2 | 0 | 0 | 0 | 109.2 | V1561 V1586 Q1611 M1612 L1622 L1645 V1773 I1775 | L1559-V1561 HydrophobicContact CD2-CG2 3.34Å; L1559-V1561 HydrophobicContact CG-CG2 3.78Å; L1559-V1586 HydrophobicContact CD2-CG1 4.48Å; L1559-Q1611 WeakPolarHBondContact O-CA 3.46Å; L1559-M1612 HydrophobicContact CB-CG 4.06Å; L1559-M1612 HydrophobicContact CD2-CG 3.93Å; L1559-M1612 HydrophobicContact CD2-SD 4.15Å; L1559-M1612 PolarHBondContact N-O 3.11Å; L1559-M1612 PolarHBondContact O-N 3.23Å; L1559-L1622 HydrophobicContact CD2-CD1 3.79Å; L1559-L1622 HydrophobicContact CD2-CD2 4.22Å; L1559-L1645 HydrophobicContact CD1-CD1 3.66Å; L1559-L1645 HydrophobicContact CD1-CD2 3.69Å; L1559-L1645 HydrophobicContact CD1-CG 4.32Å; L1559-L1645 HydrophobicContact CD2-CD1 4.35Å; L1559-V1773 HydrophobicContact CD1-CG1 3.46Å; L1559-V1773 VanDerWaalsContact CD1-CG1 3.46Å; L1559-V1773 HydrophobicContact CG-CG1 4.12Å; L1559-I1775 HydrophobicContact CD1-CG1 4.11Å |
| 1560 | R | 95.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 113.5 | 164.6 | -67 | -175.6 | 177.8 | 154.3 | -6.9 | 109.2 | Y1562 M1609 F1610 Q1611 V1773 D1774 F1776 G1784 | R1560-Y1562 HydrophobicContact CB-CD2 4.32Å; R1560-Y1562 HydrophobicContact CB-CE2 3.63Å; R1560-M1609 HydrophobicContact CB-CG 4.46Å; R1560-M1609 HydrophobicContact CB-SD 4.25Å; R1560-M1609 HydrophobicContact CG-SD 4.1Å; R1560-F1610 WeakPolarHBondContact CA-O 3.38Å; R1560-Q1611 HydrophobicContact CG-CB 4.4Å; R1560-Q1611 HydrophobicContact CG-CG 4.11Å; R1560-V1773 WeakPolarHBondContact O-CA 3.47Å; R1560-D1774 HydrophobicContact CB-CB 4.32Å; R1560-D1774 PolarHBondContact N-O 2.94Å; R1560-D1774 PolarHBondContact O-N 3.12Å; R1560-F1776 HydrophobicContact CG-CE2 4.24Å; R1560-G1784 VanDerWaalsContact CZ-O 3.28Å; R1560-G1784 PolarHBondContact NH1-O 3.36Å; R1560-G1784 PolarHBondContact NH2-O 2.95Å |
| 1561 | V | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.6 | 178.1 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | L1559 I1563 I1584 M1609 F1610 L1622 M1771 V1773 | L1559-V1561 HydrophobicContact CD2-CG2 3.34Å; L1559-V1561 HydrophobicContact CG-CG2 3.78Å; V1561-I1563 HydrophobicContact CG1-CD1 3.67Å; V1561-I1563 HydrophobicContact CG1-CG1 4.25Å; V1561-I1584 HydrophobicContact CB-CD1 3.84Å; V1561-I1584 HydrophobicContact CG1-CD1 3.71Å; V1561-I1584 HydrophobicContact CG2-CD1 4.43Å; V1561-I1584 HydrophobicContact CG2-CG2 4.45Å; V1561-M1609 CarbonylContact O-C 3.52Å; V1561-M1609 WeakPolarHBondContact O-CA 3.36Å; V1561-F1610 PolarHBondContact N-O 3.45Å; V1561-F1610 PolarHBondContact O-N 3.12Å; V1561-L1622 HydrophobicContact CG1-CD2 4.45Å; V1561-L1622 HydrophobicContact CG2-CD1 4.17Å; V1561-L1622 HydrophobicContact CG2-CD2 3.8Å; V1561-M1771 HydrophobicContact CG1-CE 3.69Å; V1561-V1773 HydrophobicContact CG1-CG2 4.31Å; V1561-V1773 HydrophobicContact CG2-CG1 4.44Å |
| 1562 | Y | 97.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115 | -179.7 | -64.3 | -99.4 | 0 | 0 | 0 | 108.8 | R1560 M1609 M1771 W1772 D1774 P1786 F1787 I1789 | R1560-Y1562 HydrophobicContact CB-CD2 4.32Å; R1560-Y1562 HydrophobicContact CB-CE2 3.63Å; Y1562-M1609 HydrophobicContact CD1-CB 3.67Å; Y1562-M1609 HydrophobicContact CD1-CG 3.56Å; Y1562-M1609 HydrophobicContact CD2-CG 4.35Å; Y1562-M1609 HydrophobicContact CE1-CB 3.78Å; Y1562-M1609 HydrophobicContact CE1-CG 3.32Å; Y1562-M1609 HydrophobicContact CE2-CG 4.16Å; Y1562-M1609 HydrophobicContact CG-CB 4.39Å; Y1562-M1609 HydrophobicContact CG-CG 4.09Å; Y1562-M1771 CarbonylContact O-C 3.58Å; Y1562-M1771 WeakPolarHBondContact O-CA 3.46Å; Y1562-M1771 WeakPolarHBondContact O-CB 3.4Å; Y1562-W1772 VanDerWaalsContact CB-CE2 3.43Å; Y1562-W1772 VanDerWaalsContact CB-CH2 3.47Å; Y1562-W1772 VanDerWaalsContact CB-CZ2 3.4Å; Y1562-W1772 AromaticContact CD1-CE2 3.97Å; Y1562-W1772 AromaticContact CD1-CH2 3.69Å; Y1562-W1772 HydrophobicContact CD1-CH2 3.69Å; Y1562-W1772 AromaticContact CD1-CZ2 3.29Å; Y1562-W1772 HydrophobicContact CD1-CZ2 3.29Å; Y1562-W1772 AromaticContact CD2-CD1 3.85Å; Y1562-W1772 HydrophobicContact CD2-CD2 4.07Å; Y1562-W1772 AromaticContact CD2-CE2 3.29Å; Y1562-W1772 HydrophobicContact CD2-CG 4.38Å; Y1562-W1772 HydrophobicContact CD2-CH2 4.46Å; Y1562-W1772 AromaticContact CD2-CZ2 3.54Å; Y1562-W1772 HydrophobicContact CD2-CZ2 3.54Å; Y1562-W1772 AromaticContact CD2-NE1 3.13Å; Y1562-W1772 HydrophobicContact CE1-CH2 4.49Å; Y1562-W1772 AromaticContact CE1-CZ2 3.8Å; Y1562-W1772 HydrophobicContact CE1-CZ2 3.8Å; Y1562-W1772 AromaticContact CE2-CE2 3.9Å; Y1562-W1772 HydrophobicContact CE2-CZ2 4.01Å; Y1562-W1772 AromaticContact CE2-NE1 3.47Å; Y1562-W1772 AromaticContact CG-CD2 3.99Å; Y1562-W1772 HydrophobicContact CG-CD2 3.99Å; Y1562-W1772 AromaticContact CG-CE2 3.31Å; Y1562-W1772 HydrophobicContact CG-CE3 4.4Å; Y1562-W1772 AromaticContact CG-CH2 3.66Å; Y1562-W1772 HydrophobicContact CG-CH2 3.66Å; Y1562-W1772 AromaticContact CG-CZ2 3.13Å; Y1562-W1772 HydrophobicContact CG-CZ2 3.13Å; Y1562-W1772 HydrophobicContact CG-CZ3 4.25Å; Y1562-W1772 AromaticContact CG-NE1 3.71Å; Y1562-W1772 PolarHBondContact N-O 3.3Å; Y1562-W1772 PolarHBondContact O-N 2.84Å; Y1562-W1772 VanDerWaalsContact O-N 3.08Å; Y1562-D1774 HydrophobicContact CE2-CB 4.49Å; Y1562-P1786 WeakPolarHBondContact OH-CA 3.28Å; Y1562-F1787 HydrophobicContact CE1-CB 4.08Å; Y1562-F1787 PolarHBondContact OH-N 3.43Å; Y1562-I1789 HydrophobicContact CD1-CD1 3.79Å; Y1562-I1789 HydrophobicContact CD1-CG1 4.16Å; Y1562-I1789 HydrophobicContact CD1-CG2 4.44Å; Y1562-I1789 HydrophobicContact CG-CD1 4.36Å |
| 1563 | I | 96.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.5 | 178 | -50.3 | -61.9 | 0 | 0 | 0 | 108 | V1561 V1582 I1584 F1606 G1607 K1608 F1610 V1624 L1769 M1771 | V1561-I1563 HydrophobicContact CG1-CD1 3.67Å; V1561-I1563 HydrophobicContact CG1-CG1 4.25Å; I1563-V1582 HydrophobicContact CG1-CG1 4.25Å; I1563-V1582 HydrophobicContact CG2-CG2 4.01Å; I1563-I1584 HydrophobicContact CD1-CD1 4.45Å; I1563-I1584 HydrophobicContact CG1-CD1 4.16Å; I1563-F1606 HydrophobicContact CG2-CB 4.24Å; I1563-F1606 HydrophobicContact CG2-CD2 3.64Å; I1563-F1606 HydrophobicContact CG2-CE2 4.32Å; I1563-F1606 HydrophobicContact CG2-CG 4.2Å; I1563-G1607 PolarHBondContact O-N 2.98Å; I1563-K1608 PolarHBondContact N-O 3.5Å; I1563-K1608 PolarHBondContact O-N 2.74Å; I1563-F1610 HydrophobicContact CG1-CD2 4.3Å; I1563-F1610 HydrophobicContact CG1-CE2 4.07Å; I1563-V1624 HydrophobicContact CD1-CG1 3.93Å; I1563-L1769 HydrophobicContact CD1-CD2 4.29Å; I1563-L1769 HydrophobicContact CG2-CD1 3.79Å; I1563-L1769 HydrophobicContact CG2-CG 4.39Å; I1563-M1771 HydrophobicContact CD1-CB 3.79Å; I1563-M1771 HydrophobicContact CD1-CE 3.92Å; I1563-M1771 HydrophobicContact CD1-SD 3.96Å |
| 1564 | I | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -66.8 | -174.3 | -55.2 | 162.3 | 0 | 0 | 0 | 108.6 | W1456 W1457 F1460 E1605 F1606 G1607 V1751 Q1770 W1772 | W1456-I1564 HydrophobicContact CH2-CD1 3.78Å; W1456-I1564 HydrophobicContact CH2-CG1 3.81Å; W1456-I1564 HydrophobicContact CH2-CG2 4.2Å; W1456-I1564 HydrophobicContact CZ2-CD1 4.41Å; W1456-I1564 HydrophobicContact CZ3-CG2 4.29Å; W1457-I1564 HydrophobicContact CH2-CG2 3.64Å; W1457-I1564 HydrophobicContact CZ3-CG2 3.94Å; F1460-I1564 HydrophobicContact CE2-CD1 4.22Å; F1460-I1564 HydrophobicContact CZ-CG2 4.48Å; I1564-E1605 CarbonylContact O-C 3.43Å; I1564-F1606 PolarHBondContact O-N 3.13Å; I1564-G1607 PolarHBondContact O-N 3Å; I1564-V1751 HydrophobicContact CD1-CB 4.05Å; I1564-V1751 HydrophobicContact CD1-CG1 3.34Å; I1564-V1751 HydrophobicContact CD1-CG2 3.48Å; I1564-V1751 VanDerWaalsContact CD1-CG2 3.48Å; I1564-Q1770 HydrophobicContact CB-CB 4.41Å; I1564-Q1770 WeakPolarHBondContact CB-O 3.37Å; I1564-Q1770 HydrophobicContact CD1-CB 4.28Å; I1564-Q1770 PolarHBondContact N-O 3.42Å; I1564-W1772 HydrophobicContact CD1-CE3 3.86Å; I1564-W1772 HydrophobicContact CD1-CZ3 3.63Å; I1564-W1772 HydrophobicContact CG1-CE3 4.08Å; I1564-W1772 HydrophobicContact CG1-CZ3 3.56Å |
| 1565 | R | 94.5 | Very high | 87.6 | Confident | 48 Ų | 48 | 25.6 Ų | 25.6 | 18% | 0.181 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 155.8 | -176.1 | 64.7 | -179.6 | 179.6 | 176.4 | 3.1 | 111.6 | I1567 P1604 E1605 Q1770 | R1565-I1567 HydrophobicContact CG-CG1 4.49Å; R1565-P1604 CarbonylContact C-O 3.48Å; R1565-P1604 WeakPolarHBondContact CA-O 3.47Å; R1565-P1604 WeakPolarHBondContact CB-O 3.39Å; R1565-E1605 HydrophobicContact CB-CG 4.25Å; R1565-Q1770 HydrophobicContact CG-CB 4.28Å; R1565-Q1770 PolarHBondContact O-N 3.48Å |
| 1566 | A | 94 | Very high | 86.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 156.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1569 N1603 P1604 F1606 K1768 L1769 | A1566-L1569 HydrophobicContact CB-CD1 3.86Å; A1566-L1569 HydrophobicContact CB-CD2 3.66Å; A1566-L1569 HydrophobicContact CB-CG 3.69Å; A1566-N1603 CarbonylContact O-C 3.13Å; A1566-N1603 WeakPolarHBondContact O-CA 3.29Å; A1566-P1604 HydrophobicContact CB-CG 3.81Å; A1566-P1604 PolarHBondContact N-O 3.1Å; A1566-F1606 HydrophobicContact CB-CE2 3.92Å; A1566-K1768 CarbonylContact C-O 3.58Å; A1566-K1768 WeakPolarHBondContact CA-O 3.31Å; A1566-K1768 WeakPolarHBondContact CB-O 3.4Å; A1566-L1769 HydrophobicContact CB-CD1 3.92Å |
| 1567 | I | 87.8 | Confident | 85.7 | Confident | 41 Ų | 41 | 19.4 Ų | 19.4 | 21% | 0.21 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.5 | -177 | -53.1 | 170.7 | 0 | 0 | 0 | 107 | R1565 L1569 N1603 K1768 Q1770 | R1565-I1567 HydrophobicContact CG-CG1 4.49Å; I1567-L1569 VanDerWaalsContact C-N 3.32Å; I1567-L1569 PolarHBondContact O-N 2.81Å; I1567-N1603 WeakPolarHBondContact CA-OD1 3.15Å; I1567-K1768 HydrophobicContact CB-CB 4.47Å; I1567-K1768 PolarHBondContact N-O 2.74Å; I1567-K1768 PolarHBondContact O-N 3.34Å; I1567-Q1770 HydrophobicContact CD1-CG 4.01Å |
| 1568 | D | 83.4 | Confident | 85.2 | Confident | 56 Ų | 56 | 19.4 Ų | 19.4 | 30% | 0.299 | 11% | 0.111 | S | C | . | . | S | Bend | trans | 53.6 | 43.8 | 174.1 | -61.7 | -31.8 | 0 | 0 | 0 | 114.1 | N253 L1602 N1603 G1767 | N253-D1568 WeakPolarHBondContact ND2-CB 3.41Å; N253-D1568 PolarHBondContact ND2-O 2.79Å; D1568-L1602 PolarHBondContact N-O 2.99Å; D1568-N1603 PolarHBondContact N-OD1 3.39Å; D1568-G1767 VanDerWaalsContact O-CA 3.3Å; D1568-G1767 WeakPolarHBondContact O-CA 3.48Å |
| 1569 | L | 86.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 150 | 173.5 | -69.1 | -178.8 | 0 | 0 | 0 | 111.3 | A1566 I1567 P1580 L1602 P1604 V1626 I1638 L1756 | A1566-L1569 HydrophobicContact CB-CD1 3.86Å; A1566-L1569 HydrophobicContact CB-CD2 3.66Å; A1566-L1569 HydrophobicContact CB-CG 3.69Å; I1567-L1569 VanDerWaalsContact C-N 3.32Å; I1567-L1569 PolarHBondContact O-N 2.81Å; L1569-P1580 HydrophobicContact CD1-CB 3.71Å; L1569-P1580 HydrophobicContact CD1-CG 4.07Å; L1569-L1602 HydrophobicContact CB-CB 4.4Å; L1569-L1602 HydrophobicContact CB-CD2 4.43Å; L1569-L1602 WeakPolarHBondContact CB-O 3.16Å; L1569-L1602 PolarHBondContact N-O 2.94Å; L1569-L1602 WeakPolarHBondContact O-CD2 3.45Å; L1569-P1604 HydrophobicContact CD1-CG 3.69Å; L1569-V1626 HydrophobicContact CD1-CG1 3.78Å; L1569-V1626 HydrophobicContact CD2-CG1 4.14Å; L1569-I1638 HydrophobicContact CB-CG2 4.27Å; L1569-I1638 HydrophobicContact CD1-CD1 4.34Å; L1569-I1638 HydrophobicContact CD2-CG2 4.25Å; L1569-L1756 HydrophobicContact CD2-CD1 3.61Å |
| 1570 | Q | 77.7 | Confident | 84.8 | Confident | 18 Ų | 18 | 18.8 Ų | 18.8 | 8% | 0.084 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 129.9 | 172.2 | -174 | -175.6 | 40.4 | 0 | 0 | 110.4 | S1572 I1638 Q1766 | Q1570-S1572 PolarHBondContact O-N 2.91Å; Q1570-I1638 HydrophobicContact CB-CG2 4.01Å; Q1570-I1638 WeakPolarHBondContact O-CG2 3.18Å; Q1570-Q1766 HydrophobicContact CB-CB 4.26Å; Q1570-Q1766 VanDerWaalsContact CD-OE1 3.27Å; Q1570-Q1766 PolarHBondContact N-O 2.7Å; Q1570-Q1766 VanDerWaalsContact NE2-OE1 3.11Å |
| 1571 | P | 77.5 | Confident | 84.8 | Confident | 16 Ų | 16 | 18.5 Ų | 18.5 | 10% | 0.104 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 133.9 | 168.3 | -31 | 39.8 | 0 | 0 | 0 | 112.3 | Q204 G1576 L1577 L1602 | Q204-P1571 HydrophobicContact CB-CG 3.7Å; P1571-G1576 VanDerWaalsContact CB-C 3.43Å; P1571-G1576 VanDerWaalsContact CB-O 3.25Å; P1571-G1576 WeakPolarHBondContact CB-O 3.27Å; P1571-G1576 WeakPolarHBondContact CG-O 3.37Å; P1571-L1577 CarbonylContact C-O 3.5Å; P1571-L1577 VanDerWaalsContact CA-O 3.3Å; P1571-L1577 WeakPolarHBondContact CA-O 3.24Å; P1571-L1602 HydrophobicContact CG-CD1 3.88Å; P1571-L1602 HydrophobicContact CG-CD2 4.05Å |
| 1572 | S | 77.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 18.6 Ų | 18.6 | 25% | 0.252 | 11% | 0.108 | S | C | . | . | trans | -126.4 | -15.6 | 175.3 | -64.9 | 0 | 0 | 0 | 0 | 112 | Q1570 L1577 D1628 | Q1570-S1572 PolarHBondContact O-N 2.91Å; S1572-L1577 PolarHBondContact N-O 3.44Å; S1572-D1628 WeakPolarHBondContact CA-OD2 3.34Å; S1572-D1628 WeakPolarHBondContact CB-OD2 3.48Å | ||
| 1573 | D | 75 | Confident | 84.6 | Confident | 23 Ų | 23 | 18.9 Ų | 18.9 | 12% | 0.123 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -88.7 | 144.9 | 176.1 | -83.2 | -49.2 | 0 | 0 | 0 | 114.9 | G331 S1575 G1576 L1577 A1578 D1579 D1628 | G331-D1573 PolarHBondContact N-O 2.91Å; D1573-S1575 WeakPolarHBondContact CB-OG 3.33Å; D1573-S1575 PolarHBondContact O-N 3.4Å; D1573-G1576 PolarHBondContact O-N 3.47Å; D1573-L1577 PolarHBondContact N-O 2.82Å; D1573-A1578 WeakPolarHBondContact OD2-CA 3.16Å; D1573-D1579 PolarHBondContact OD2-N 2.83Å; D1573-D1628 VanDerWaalsContact CG-OD2 3.32Å; D1573-D1628 PolarHBondContact N-OD2 3.32Å |
| 1574 | S | 66.5 | Low | 84.6 | Confident | 94 Ų | 94 | 18.9 Ų | 18.9 | 66% | 0.657 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | 34.6 | -60.7 | 104.3 | 169.3 | 0 | 0 | 0 | 0 | 120 | P330 G331 | P330-S1574 CarbonylContact C-O 3.57Å; P330-S1574 WeakPolarHBondContact CA-O 3.12Å; P330-S1574 WeakPolarHBondContact CB-O 3.19Å; G331-S1574 PolarHBondContact N-O 3.26Å; G331-S1574 VanDerWaalsContact N-O 3.07Å | |
| 1575 | S | 67.3 | Low | 84.6 | Confident | 28 Ų | 28 | 20.8 Ų | 20.8 | 20% | 0.196 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 4.6 | -169.6 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | D202 P330 D1573 L1577 N1600 | D202-S1575 PolarHBondContact N-O 2.93Å; P330-S1575 VanDerWaalsContact CA-CA 3.5Å; P330-S1575 VanDerWaalsContact CB-CA 3.46Å; P330-S1575 VanDerWaalsContact CD-C 3.4Å; P330-S1575 VanDerWaalsContact CD-O 3.3Å; P330-S1575 WeakPolarHBondContact CD-O 3.49Å; P330-S1575 WeakPolarHBondContact CG-O 3.38Å; D1573-S1575 WeakPolarHBondContact CB-OG 3.33Å; D1573-S1575 PolarHBondContact O-N 3.4Å; S1575-L1577 WeakPolarHBondContact OG-CB 3.3Å; S1575-N1600 PolarHBondContact OG-OD1 3.09Å; S1575-N1600 VanDerWaalsContact OG-OD1 3.12Å |
| 1576 | G | 65.9 | Low | 84.5 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 78.8 | 20.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D202 G329 P330 P1571 D1573 | D202-G1576 CarbonylContact C-O 3.59Å; D202-G1576 VanDerWaalsContact CB-C 3.48Å; D202-G1576 WeakPolarHBondContact CB-O 3.22Å; D202-G1576 WeakPolarHBondContact O-CA 3.37Å; G329-G1576 VanDerWaalsContact C-CA 3.43Å; P330-G1576 VanDerWaalsContact CD-CA 3.46Å; P330-G1576 VanDerWaalsContact N-N 3.13Å; P1571-G1576 VanDerWaalsContact CB-C 3.43Å; P1571-G1576 VanDerWaalsContact CB-O 3.25Å; P1571-G1576 WeakPolarHBondContact CB-O 3.27Å; P1571-G1576 WeakPolarHBondContact CG-O 3.37Å; D1573-G1576 PolarHBondContact O-N 3.47Å |
| 1577 | L | 80.2 | Confident | 84.2 | Confident | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -136.1 | -167.2 | -159.4 | -143.1 | 145.8 | 0 | 0 | 0 | 106.4 | D202 F255 P1571 S1572 D1573 S1575 N1600 T1601 L1602 | D202-L1577 HydrophobicContact CB-CB 4.02Å; D202-L1577 HydrophobicContact CB-CD1 4Å; D202-L1577 HydrophobicContact CB-CD2 3.59Å; D202-L1577 HydrophobicContact CB-CG 3.91Å; D202-L1577 WeakPolarHBondContact OD2-CD1 3.38Å; D202-L1577 WeakPolarHBondContact OD2-CD2 3.48Å; D202-L1577 WeakPolarHBondContact OD2-CG 3.24Å; F255-L1577 HydrophobicContact CE2-CD1 4.46Å; P1571-L1577 CarbonylContact C-O 3.5Å; P1571-L1577 VanDerWaalsContact CA-O 3.3Å; P1571-L1577 WeakPolarHBondContact CA-O 3.24Å; S1572-L1577 PolarHBondContact N-O 3.44Å; D1573-L1577 PolarHBondContact N-O 2.82Å; S1575-L1577 WeakPolarHBondContact OG-CB 3.3Å; L1577-N1600 HydrophobicContact CD1-CB 3.59Å; L1577-N1600 HydrophobicContact CG-CB 3.96Å; L1577-T1601 VanDerWaalsContact CD2-CA 3.48Å; L1577-L1602 HydrophobicContact CD2-CD2 3.99Å; L1577-L1602 HydrophobicContact CD2-CG 3.69Å |
| 1578 | A | 84.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -147 | 161.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | D1573 P1580 N1600 T1601 L1602 I1638 | D1573-A1578 WeakPolarHBondContact OD2-CA 3.16Å; A1578-P1580 WeakPolarHBondContact O-CD 3.48Å; A1578-N1600 CarbonylContact O-C 3.51Å; A1578-N1600 VanDerWaalsContact O-CA 3.29Å; A1578-N1600 WeakPolarHBondContact O-CA 3.36Å; A1578-N1600 PolarHBondContact O-N 3.08Å; A1578-T1601 PolarHBondContact O-N 2.78Å; A1578-L1602 HydrophobicContact CB-CD2 4.25Å; A1578-I1638 HydrophobicContact CB-CD1 3.69Å | ||
| 1579 | D | 88.8 | Confident | 84.3 | Confident | 17 Ų | 17 | 28 Ų | 28 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | trans | -103.1 | 60.6 | 167 | -72.2 | -19.9 | 0 | 0 | 0 | 109.9 | D1573 Y1597 L1598 P1599 N1600 D1628 Y1629 | D1573-D1579 PolarHBondContact OD2-N 2.83Å; D1579-Y1597 HydrophobicContact CB-CD2 3.72Å; D1579-Y1597 HydrophobicContact CB-CE2 4.04Å; D1579-L1598 CarbonylContact C-O 3.53Å; D1579-L1598 WeakPolarHBondContact CA-O 3.47Å; D1579-P1599 WeakPolarHBondContact OD1-CA 3.26Å; D1579-N1600 PolarHBondContact OD1-N 2.96Å; D1579-D1628 WeakPolarHBondContact CA-OD1 3.39Å; D1579-D1628 WeakPolarHBondContact CB-OD1 3.47Å; D1579-D1628 PolarHBondContact N-OD1 3.4Å; D1579-Y1629 PolarHBondContact O-N 3.31Å | ||
| 1580 | P | 93.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 140.5 | -165.6 | 27.6 | -39.4 | 0 | 0 | 0 | 114 | L1569 A1578 L1598 T1601 P1604 F1606 V1626 K1627 I1638 | L1569-P1580 HydrophobicContact CD1-CB 3.71Å; L1569-P1580 HydrophobicContact CD1-CG 4.07Å; A1578-P1580 WeakPolarHBondContact O-CD 3.48Å; P1580-L1598 WeakPolarHBondContact CD-O 3.22Å; P1580-L1598 HydrophobicContact CG-CB 4.5Å; P1580-L1598 PolarHBondContact O-N 2.86Å; P1580-T1601 VanDerWaalsContact CD-O 3.3Å; P1580-T1601 WeakPolarHBondContact CD-O 3.47Å; P1580-T1601 HydrophobicContact CG-CG2 3.9Å; P1580-T1601 WeakPolarHBondContact CG-O 3.32Å; P1580-P1604 HydrophobicContact CB-CB 4.49Å; P1580-P1604 HydrophobicContact CB-CG 4.06Å; P1580-P1604 HydrophobicContact CG-CB 3.7Å; P1580-P1604 HydrophobicContact CG-CG 3.58Å; P1580-F1606 HydrophobicContact CB-CE1 4.33Å; P1580-F1606 HydrophobicContact CB-CZ 4.16Å; P1580-V1626 HydrophobicContact CB-CG1 4.08Å; P1580-K1627 CarbonylContact C-O 3.58Å; P1580-K1627 VanDerWaalsContact CA-O 3.27Å; P1580-K1627 WeakPolarHBondContact CA-O 3.47Å; P1580-I1638 HydrophobicContact CB-CD1 4.37Å |
| 1581 | Y | 95.2 | Very high | 85.2 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.6 | 164.2 | 73 | -88.5 | 0 | 0 | 0 | 110.7 | E1583 N1592 K1594 K1627 D1635 | Y1581-E1583 HydrophobicContact CE2-CB 4.49Å; Y1581-N1592 HydrophobicContact CD2-CB 4.26Å; Y1581-N1592 HydrophobicContact CE2-CB 4.09Å; Y1581-K1594 HydrophobicContact CD1-CB 4.49Å; Y1581-K1594 HydrophobicContact CD2-CB 3.89Å; Y1581-K1594 HydrophobicContact CE1-CB 4.42Å; Y1581-K1594 HydrophobicContact CE1-CD 4.45Å; Y1581-K1594 HydrophobicContact CE1-CG 4.25Å; Y1581-K1594 HydrophobicContact CE2-CB 3.83Å; Y1581-K1594 HydrophobicContact CE2-CG 4.44Å; Y1581-K1594 HydrophobicContact CG-CB 4.22Å; Y1581-K1627 HydrophobicContact CD1-CB 4.23Å; Y1581-K1627 HydrophobicContact CE1-CB 3.65Å; Y1581-K1627 HydrophobicContact CE2-CB 4.06Å; Y1581-K1627 HydrophobicContact CE2-CD 4.21Å; Y1581-K1627 PolarHBondContact N-O 2.87Å; Y1581-K1627 PolarHBondContact O-N 3.36Å; Y1581-K1627 WeakPolarHBondContact OH-CD 2.95Å; Y1581-D1635 HydrophobicContact CE1-CB 4.38Å; Y1581-D1635 WeakPolarHBondContact CE1-OD2 3.4Å; Y1581-D1635 VanDerWaalsContact CZ-OD2 3.24Å; Y1581-D1635 PolarHBondContact OH-OD2 3.15Å |
| 1582 | V | 95 | Very high | 85.8 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 137.2 | -177.9 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | I1563 I1584 N1592 S1593 F1606 V1624 I1625 | I1563-V1582 HydrophobicContact CG1-CG1 4.25Å; I1563-V1582 HydrophobicContact CG2-CG2 4.01Å; V1582-I1584 HydrophobicContact CG1-CD1 4.49Å; V1582-I1584 HydrophobicContact CG1-CG1 3.94Å; V1582-N1592 CarbonylContact O-C 3.53Å; V1582-N1592 VanDerWaalsContact O-CA 3.25Å; V1582-N1592 WeakPolarHBondContact O-CA 3.44Å; V1582-S1593 PolarHBondContact N-OG 2.99Å; V1582-S1593 VanDerWaalsContact N-OG 3.1Å; V1582-S1593 PolarHBondContact O-N 3.33Å; V1582-S1593 PolarHBondContact O-OG 3.18Å; V1582-F1606 HydrophobicContact CG2-CD1 3.75Å; V1582-F1606 HydrophobicContact CG2-CD2 3.84Å; V1582-F1606 HydrophobicContact CG2-CE1 3.61Å; V1582-F1606 HydrophobicContact CG2-CE2 3.66Å; V1582-F1606 HydrophobicContact CG2-CG 3.85Å; V1582-F1606 HydrophobicContact CG2-CZ 3.54Å; V1582-V1624 HydrophobicContact CG1-CG1 3.97Å; V1582-I1625 WeakPolarHBondContact CA-O 3.19Å |
| 1583 | E | 95.3 | Very high | 86.4 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125 | 169.6 | 179.4 | 173.5 | 110.5 | 0 | 0 | 108.7 | Y1581 I1585 K1590 N1592 I1625 K1627 | Y1581-E1583 HydrophobicContact CE2-CB 4.49Å; E1583-I1585 HydrophobicContact CG-CD1 4.45Å; E1583-I1585 HydrophobicContact CG-CG1 4.19Å; E1583-K1590 HydrophobicContact CG-CG 4.45Å; E1583-K1590 VanDerWaalsContact OE1-CE 3.24Å; E1583-K1590 WeakPolarHBondContact OE1-CE 3.5Å; E1583-K1590 IonicContact OE1-NZ 2.58Å; E1583-K1590 PolarHBondContact OE1-NZ 2.7Å; E1583-K1590 WeakPolarHBondContact OE2-CE 3.33Å; E1583-K1590 IonicContact OE2-NZ 2.65Å; E1583-K1590 PolarHBondContact OE2-NZ 2.98Å; E1583-N1592 HydrophobicContact CB-CB 4.1Å; E1583-N1592 HydrophobicContact CG-CB 4.23Å; E1583-I1625 HydrophobicContact CB-CB 4.33Å; E1583-I1625 PolarHBondContact N-O 2.95Å; E1583-I1625 PolarHBondContact O-N 2.79Å; E1583-K1627 WeakPolarHBondContact OE1-CE 3.4Å; E1583-K1627 IonicContact OE1-NZ 2.86Å; E1583-K1627 PolarHBondContact OE1-NZ 3.28Å; E1583-K1627 IonicContact OE2-NZ 2.83Å; E1583-K1627 PolarHBondContact OE2-NZ 2.94Å |
| 1584 | I | 95.7 | Very high | 87 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.2 | 179.6 | -57.6 | -175.9 | 0 | 0 | 0 | 108.4 | V1561 I1563 V1582 K1590 V1591 F1610 M1612 L1622 H1623 | V1561-I1584 HydrophobicContact CB-CD1 3.84Å; V1561-I1584 HydrophobicContact CG1-CD1 3.71Å; V1561-I1584 HydrophobicContact CG2-CD1 4.43Å; V1561-I1584 HydrophobicContact CG2-CG2 4.45Å; I1563-I1584 HydrophobicContact CD1-CD1 4.45Å; I1563-I1584 HydrophobicContact CG1-CD1 4.16Å; V1582-I1584 HydrophobicContact CG1-CD1 4.49Å; V1582-I1584 HydrophobicContact CG1-CG1 3.94Å; I1584-K1590 WeakPolarHBondContact O-CA 3.31Å; I1584-V1591 PolarHBondContact N-O 3.42Å; I1584-V1591 PolarHBondContact O-N 3.33Å; I1584-F1610 HydrophobicContact CD1-CB 3.85Å; I1584-F1610 HydrophobicContact CD1-CD1 4.31Å; I1584-F1610 HydrophobicContact CD1-CD2 3.22Å; I1584-F1610 HydrophobicContact CD1-CE2 3.71Å; I1584-F1610 HydrophobicContact CD1-CG 3.55Å; I1584-F1610 HydrophobicContact CD1-CZ 4.42Å; I1584-F1610 HydrophobicContact CG1-CD2 4.34Å; I1584-M1612 HydrophobicContact CB-CE 4.16Å; I1584-M1612 HydrophobicContact CG2-CE 3.71Å; I1584-M1612 HydrophobicContact CG2-SD 4.15Å; I1584-L1622 HydrophobicContact CG2-CD1 3.44Å; I1584-L1622 VanDerWaalsContact CG2-CD1 3.44Å; I1584-H1623 WeakPolarHBondContact CA-O 3.4Å |
| 1585 | I | 95 | Very high | 87.8 | Confident | 39 Ų | 39 | 40 Ų | 40 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.3 | 180 | -48.3 | 178.7 | 0 | 0 | 0 | 108.8 | E1583 H1589 K1590 H1623 I1625 | E1583-I1585 HydrophobicContact CG-CD1 4.45Å; E1583-I1585 HydrophobicContact CG-CG1 4.19Å; I1585-H1589 WeakPolarHBondContact CA-O 3.47Å; I1585-K1590 HydrophobicContact CD1-CD 4.46Å; I1585-K1590 HydrophobicContact CG1-CG 4.21Å; I1585-H1623 HydrophobicContact CB-CB 4.2Å; I1585-H1623 PolarHBondContact N-O 3.34Å; I1585-H1623 PolarHBondContact O-N 3.03Å; I1585-I1625 HydrophobicContact CD1-CD1 3.76Å; I1585-I1625 HydrophobicContact CG1-CD1 4.43Å |
| 1586 | V | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 116.9 | 168.3 | 67.4 | 0 | 0 | 0 | 0 | 108.3 | L1559 Q1588 H1589 M1612 C1614 E1619 L1622 L1645 | L1559-V1586 HydrophobicContact CD2-CG1 4.48Å; V1586-Q1588 PolarHBondContact O-N 2.91Å; V1586-H1589 HydrophobicContact CG1-CB 4.1Å; V1586-H1589 PolarHBondContact N-O 2.71Å; V1586-H1589 WeakPolarHBondContact O-CB 3.18Å; V1586-H1589 PolarHBondContact O-N 3.16Å; V1586-M1612 HydrophobicContact CB-SD 4.37Å; V1586-M1612 HydrophobicContact CG1-CG 3.86Å; V1586-M1612 HydrophobicContact CG1-SD 3.29Å; V1586-M1612 WeakPolarHBondContact CG1-SD 3.26Å; V1586-C1614 HydrophobicContact CG1-CB 4.22Å; V1586-C1614 HydrophobicContact CG2-CB 3.8Å; V1586-E1619 HydrophobicContact CG2-CB 4.23Å; V1586-E1619 VanDerWaalsContact CG2-O 3.31Å; V1586-E1619 WeakPolarHBondContact CG2-O 3.19Å; V1586-L1622 HydrophobicContact CB-CD1 4.15Å; V1586-L1645 HydrophobicContact CG2-CD1 3.97Å |
| 1587 | G | 87.4 | Confident | 89.6 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -120.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1619 | G1587-E1619 WeakPolarHBondContact CA-OE1 3.43Š|
| 1588 | Q | 84.1 | Confident | 89.9 | Confident | 178 Ų | 178 | 49.2 Ų | 49.2 | 83% | 0.832 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -6.1 | 175.3 | -60.4 | -59.2 | -67.9 | 0 | 0 | 113.7 | V1586 E1619 | V1586-Q1588 PolarHBondContact O-N 2.91Å; Q1588-E1619 PolarHBondContact N-OE1 2.87Å |
| 1589 | H | 87.7 | Confident | 89.8 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 39% | 0.394 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 121.3 | 178.8 | -68 | -76.1 | 0 | 0 | 0 | 110.1 | I1585 V1586 M1612 K1613 | I1585-H1589 WeakPolarHBondContact CA-O 3.47Å; V1586-H1589 HydrophobicContact CG1-CB 4.1Å; V1586-H1589 PolarHBondContact N-O 2.71Å; V1586-H1589 WeakPolarHBondContact O-CB 3.18Å; V1586-H1589 PolarHBondContact O-N 3.16Å; H1589-M1612 HydrophobicContact CB-SD 4.49Å; H1589-K1613 PolarHBondContact CD2-O 3.46Å; H1589-K1613 PolarHBondContact NE2-O 3.34Å |
| 1590 | K | 91.3 | Very high | 89.4 | Confident | 116 Ų | 116 | 52.1 Ų | 52.1 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 119.7 | 176.4 | 176.3 | 171.6 | 177.3 | 158.5 | 0 | 108.7 | E1583 I1584 I1585 | E1583-K1590 HydrophobicContact CG-CG 4.45Å; E1583-K1590 VanDerWaalsContact OE1-CE 3.24Å; E1583-K1590 WeakPolarHBondContact OE1-CE 3.5Å; E1583-K1590 IonicContact OE1-NZ 2.58Å; E1583-K1590 PolarHBondContact OE1-NZ 2.7Å; E1583-K1590 WeakPolarHBondContact OE2-CE 3.33Å; E1583-K1590 IonicContact OE2-NZ 2.65Å; E1583-K1590 PolarHBondContact OE2-NZ 2.98Å; I1584-K1590 WeakPolarHBondContact O-CA 3.31Å; I1585-K1590 HydrophobicContact CD1-CD 4.46Å; I1585-K1590 HydrophobicContact CG1-CG 4.21Å |
| 1591 | V | 91.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 54 Ų | 54 | 35% | 0.352 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.4 | 177.9 | -168.3 | 0 | 0 | 0 | 0 | 107.8 | I1584 F1610 M1612 | I1584-V1591 PolarHBondContact N-O 3.42Å; I1584-V1591 PolarHBondContact O-N 3.33Å; V1591-F1610 HydrophobicContact CB-CD1 4.26Å; V1591-F1610 HydrophobicContact CG1-CD1 3.78Å; V1591-F1610 HydrophobicContact CG1-CE1 4.12Å; V1591-M1612 HydrophobicContact CB-CE 4.46Å; V1591-M1612 HydrophobicContact CG2-CE 4.1Å |
| 1592 | N | 90.6 | Very high | 88.4 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 164.9 | 175 | 66 | 47.8 | 0 | 0 | 0 | 110.5 | Y1581 V1582 E1583 K1594 | Y1581-N1592 HydrophobicContact CD2-CB 4.26Å; Y1581-N1592 HydrophobicContact CE2-CB 4.09Å; V1582-N1592 CarbonylContact O-C 3.53Å; V1582-N1592 VanDerWaalsContact O-CA 3.25Å; V1582-N1592 WeakPolarHBondContact O-CA 3.44Å; E1583-N1592 HydrophobicContact CB-CB 4.1Å; E1583-N1592 HydrophobicContact CG-CB 4.23Å; N1592-K1594 WeakPolarHBondContact OD1-CB 3.18Å; N1592-K1594 PolarHBondContact OD1-N 2.94Å |
| 1593 | S | 89.7 | Confident | 88 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -108.8 | 28.7 | 173.9 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | V1582 D1595 K1596 Y1597 | V1582-S1593 PolarHBondContact N-OG 2.99Å; V1582-S1593 VanDerWaalsContact N-OG 3.1Å; V1582-S1593 PolarHBondContact O-N 3.33Å; V1582-S1593 PolarHBondContact O-OG 3.18Å; S1593-D1595 VanDerWaalsContact C-N 3.28Å; S1593-D1595 PolarHBondContact O-N 3.02Å; S1593-K1596 CarbonylContact O-C 3.54Å; S1593-K1596 PolarHBondContact O-N 2.89Å; S1593-Y1597 PolarHBondContact O-N 2.93Å | ||
| 1594 | K | 88.2 | Confident | 87.8 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 30% | 0.304 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -61.7 | -34.2 | -173 | 178.7 | 170.6 | 171.4 | 147.1 | 0 | 112.7 | Y1581 N1592 K1596 Y1597 Y1629 D1635 | Y1581-K1594 HydrophobicContact CD1-CB 4.49Å; Y1581-K1594 HydrophobicContact CD2-CB 3.89Å; Y1581-K1594 HydrophobicContact CE1-CB 4.42Å; Y1581-K1594 HydrophobicContact CE1-CD 4.45Å; Y1581-K1594 HydrophobicContact CE1-CG 4.25Å; Y1581-K1594 HydrophobicContact CE2-CB 3.83Å; Y1581-K1594 HydrophobicContact CE2-CG 4.44Å; Y1581-K1594 HydrophobicContact CG-CB 4.22Å; N1592-K1594 WeakPolarHBondContact OD1-CB 3.18Å; N1592-K1594 PolarHBondContact OD1-N 2.94Å; K1594-K1596 PolarHBondContact O-N 2.96Å; K1594-K1596 VanDerWaalsContact O-N 3.16Å; K1594-Y1597 WeakPolarHBondContact O-CD1 3.4Å; K1594-Y1597 PolarHBondContact O-N 2.86Å; K1594-Y1629 HydrophobicContact CD-CD2 4.31Å; K1594-Y1629 VanDerWaalsContact CE-CD2 3.48Å; K1594-Y1629 VanDerWaalsContact CE-CE2 3.44Å; K1594-Y1629 HydrophobicContact CG-CD2 4.09Å; K1594-D1635 WeakPolarHBondContact CD-OD2 3.35Å; K1594-D1635 WeakPolarHBondContact CE-OD2 3.45Å; K1594-D1635 IonicContact NZ-OD1 3.39Å; K1594-D1635 PolarHBondContact NZ-OD1 3.46Å; K1594-D1635 IonicContact NZ-OD2 2.89Å; K1594-D1635 PolarHBondContact NZ-OD2 3.04Å |
| 1595 | D | 84.2 | Confident | 87.5 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 67% | 0.674 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -63.2 | -16.9 | 175.5 | 67.1 | -37.7 | 0 | 0 | 0 | 113.9 | S1593 | S1593-D1595 VanDerWaalsContact C-N 3.28Å; S1593-D1595 PolarHBondContact O-N 3.02Å |
| 1596 | K | 82.8 | Confident | 87.4 | Confident | 133 Ų | 133 | 57.9 Ų | 57.9 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -136 | 48.5 | -178.5 | -64.8 | 179 | -174 | -175.5 | 0 | 109.6 | S1593 K1594 K1608 | S1593-K1596 CarbonylContact O-C 3.54Å; S1593-K1596 PolarHBondContact O-N 2.89Å; K1594-K1596 PolarHBondContact O-N 2.96Å; K1594-K1596 VanDerWaalsContact O-N 3.16Å; K1596-K1608 PolarHBondContact O-NZ 3.44Å |
| 1597 | Y | 88 | Confident | 87.3 | Confident | 41 Ų | 41 | 58 Ų | 58 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | trans | -60.8 | 155.9 | 169.4 | 71 | -87.3 | 0 | 0 | 0 | 110.2 | D1579 S1593 K1594 P1599 Y1629 D1881 | D1579-Y1597 HydrophobicContact CB-CD2 3.72Å; D1579-Y1597 HydrophobicContact CB-CE2 4.04Å; S1593-Y1597 PolarHBondContact O-N 2.93Å; K1594-Y1597 WeakPolarHBondContact O-CD1 3.4Å; K1594-Y1597 PolarHBondContact O-N 2.86Å; Y1597-P1599 HydrophobicContact CD2-CB 4.37Å; Y1597-P1599 HydrophobicContact CE2-CB 3.93Å; Y1597-P1599 WeakPolarHBondContact O-CD 3.3Å; Y1597-Y1629 AromaticContact CD1-CD1 3.74Å; Y1597-Y1629 HydrophobicContact CD1-CD1 3.74Å; Y1597-Y1629 HydrophobicContact CD1-CE1 4.18Å; Y1597-Y1629 AromaticContact CD1-CG 3.96Å; Y1597-Y1629 HydrophobicContact CD1-CG 3.96Å; Y1597-Y1629 AromaticContact CD2-CD1 3.96Å; Y1597-Y1629 HydrophobicContact CD2-CD1 3.96Å; Y1597-Y1629 HydrophobicContact CD2-CG 4.37Å; Y1597-Y1629 AromaticContact CE1-CD1 3.48Å; Y1597-Y1629 HydrophobicContact CE1-CD1 3.48Å; Y1597-Y1629 VanDerWaalsContact CE1-CD1 3.48Å; Y1597-Y1629 AromaticContact CE1-CE1 3.55Å; Y1597-Y1629 HydrophobicContact CE1-CE1 3.55Å; Y1597-Y1629 HydrophobicContact CE1-CG 4.15Å; Y1597-Y1629 AromaticContact CE2-CD1 3.68Å; Y1597-Y1629 HydrophobicContact CE2-CD1 3.68Å; Y1597-Y1629 HydrophobicContact CE2-CE1 4.28Å; Y1597-Y1629 AromaticContact CG-CD1 3.97Å; Y1597-Y1629 HydrophobicContact CG-CD1 3.97Å; Y1597-Y1629 HydrophobicContact CG-CG 4.07Å; Y1597-Y1629 AromaticContact CZ-CD1 3.43Å; Y1597-Y1629 VanDerWaalsContact CZ-CD1 3.43Å; Y1597-Y1629 AromaticContact CZ-CE1 3.59Å; Y1597-D1881 PolarHBondContact OH-OD1 2.89Å; Y1597-D1881 VanDerWaalsContact OH-OD1 3.13Å; Y1597-D1881 PolarHBondContact OH-OD2 2.91Å | ||
| 1598 | L | 85.7 | Confident | 87.5 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | trans | -103.8 | 105.8 | -179.5 | -68.9 | 173.4 | 0 | 0 | 0 | 108.4 | D1579 P1580 T1601 P1604 F1606 | D1579-L1598 CarbonylContact C-O 3.53Å; D1579-L1598 WeakPolarHBondContact CA-O 3.47Å; P1580-L1598 WeakPolarHBondContact CD-O 3.22Å; P1580-L1598 HydrophobicContact CG-CB 4.5Å; P1580-L1598 PolarHBondContact O-N 2.86Å; L1598-T1601 HydrophobicContact CB-CG2 3.94Å; L1598-P1604 HydrophobicContact CB-CB 4.34Å; L1598-P1604 HydrophobicContact CD1-CB 3.48Å; L1598-P1604 VanDerWaalsContact CD1-CB 3.48Å; L1598-F1606 HydrophobicContact CD1-CD1 3.84Å; L1598-F1606 HydrophobicContact CD1-CE1 4.19Å; L1598-F1606 HydrophobicContact CD1-CG 4.5Å | ||
| 1599 | P | 83.1 | Confident | 88 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 21% | 0.214 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -70.6 | 139.7 | -171.6 | 27.2 | -34.4 | 0 | 0 | 0 | 111.5 | D1579 Y1597 D1881 | D1579-P1599 WeakPolarHBondContact OD1-CA 3.26Å; Y1597-P1599 HydrophobicContact CD2-CB 4.37Å; Y1597-P1599 HydrophobicContact CE2-CB 3.93Å; Y1597-P1599 WeakPolarHBondContact O-CD 3.3Å; P1599-D1881 HydrophobicContact CB-CB 3.92Å; P1599-D1881 HydrophobicContact CG-CB 4.1Å |
| 1600 | N | 80.3 | Confident | 88.3 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 25% | 0.246 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 52.8 | 59.3 | 169.5 | -67.1 | -83.5 | 0 | 0 | 0 | 114.3 | S1575 L1577 A1578 D1579 T1883 | S1575-N1600 PolarHBondContact OG-OD1 3.09Å; S1575-N1600 VanDerWaalsContact OG-OD1 3.12Å; L1577-N1600 HydrophobicContact CD1-CB 3.59Å; L1577-N1600 HydrophobicContact CG-CB 3.96Å; A1578-N1600 CarbonylContact O-C 3.51Å; A1578-N1600 VanDerWaalsContact O-CA 3.29Å; A1578-N1600 WeakPolarHBondContact O-CA 3.36Å; A1578-N1600 PolarHBondContact O-N 3.08Å; D1579-N1600 PolarHBondContact OD1-N 2.96Å; N1600-T1883 HydrophobicContact CB-CG2 4.19Å |
| 1601 | T | 83.2 | Confident | 88.4 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 23% | 0.233 | 25% | 0.246 | C | C | . | . | trans | -149.6 | 136.5 | 175.5 | -171 | 0 | 0 | 0 | 0 | 114.5 | L1577 A1578 P1580 L1598 N1603 P1604 | L1577-T1601 VanDerWaalsContact CD2-CA 3.48Å; A1578-T1601 PolarHBondContact O-N 2.78Å; P1580-T1601 VanDerWaalsContact CD-O 3.3Å; P1580-T1601 WeakPolarHBondContact CD-O 3.47Å; P1580-T1601 HydrophobicContact CG-CG2 3.9Å; P1580-T1601 WeakPolarHBondContact CG-O 3.32Å; L1598-T1601 HydrophobicContact CB-CG2 3.94Å; T1601-N1603 PolarHBondContact OG1-N 3.37Å; T1601-P1604 HydrophobicContact CG2-CB 3.81Å | ||
| 1602 | L | 84.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -92.5 | -7.8 | 168.9 | -55.9 | -179.3 | 0 | 0 | 0 | 113.3 | D202 N253 D1568 L1569 P1571 L1577 A1578 P1604 | D202-L1602 HydrophobicContact CB-CD1 4.31Å; N253-L1602 HydrophobicContact CB-CD1 4.07Å; D1568-L1602 PolarHBondContact N-O 2.99Å; L1569-L1602 HydrophobicContact CB-CB 4.4Å; L1569-L1602 HydrophobicContact CB-CD2 4.43Å; L1569-L1602 WeakPolarHBondContact CB-O 3.16Å; L1569-L1602 PolarHBondContact N-O 2.94Å; L1569-L1602 WeakPolarHBondContact O-CD2 3.45Å; P1571-L1602 HydrophobicContact CG-CD1 3.88Å; P1571-L1602 HydrophobicContact CG-CD2 4.05Å; L1577-L1602 HydrophobicContact CD2-CD2 3.99Å; L1577-L1602 HydrophobicContact CD2-CG 3.69Å; A1578-L1602 HydrophobicContact CB-CD2 4.25Å; L1602-P1604 WeakPolarHBondContact O-CD 3.37Å |
| 1603 | N | 87 | Confident | 88.6 | Confident | 80 Ų | 80 | 47.5 Ų | 47.5 | 43% | 0.428 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -124.6 | 55.5 | -178 | -66.5 | -73.1 | 0 | 0 | 0 | 111.3 | A1566 I1567 D1568 T1601 E1605 | A1566-N1603 CarbonylContact O-C 3.13Å; A1566-N1603 WeakPolarHBondContact O-CA 3.29Å; I1567-N1603 WeakPolarHBondContact CA-OD1 3.15Å; D1568-N1603 PolarHBondContact N-OD1 3.39Å; T1601-N1603 PolarHBondContact OG1-N 3.37Å; N1603-E1605 PolarHBondContact O-N 3.13Å |
| 1604 | P | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -66.3 | 127.4 | -174.4 | 26.3 | -35.5 | 0 | 0 | 0 | 112.5 | R1565 A1566 L1569 P1580 L1598 T1601 L1602 F1606 | R1565-P1604 CarbonylContact C-O 3.48Å; R1565-P1604 WeakPolarHBondContact CA-O 3.47Å; R1565-P1604 WeakPolarHBondContact CB-O 3.39Å; A1566-P1604 HydrophobicContact CB-CG 3.81Å; A1566-P1604 PolarHBondContact N-O 3.1Å; L1569-P1604 HydrophobicContact CD1-CG 3.69Å; P1580-P1604 HydrophobicContact CB-CB 4.49Å; P1580-P1604 HydrophobicContact CB-CG 4.06Å; P1580-P1604 HydrophobicContact CG-CB 3.7Å; P1580-P1604 HydrophobicContact CG-CG 3.58Å; L1598-P1604 HydrophobicContact CB-CB 4.34Å; L1598-P1604 HydrophobicContact CD1-CB 3.48Å; L1598-P1604 VanDerWaalsContact CD1-CB 3.48Å; T1601-P1604 HydrophobicContact CG2-CB 3.81Å; L1602-P1604 WeakPolarHBondContact O-CD 3.37Å; P1604-F1606 HydrophobicContact CB-CD1 4.3Å; P1604-F1606 HydrophobicContact CB-CD2 4.45Å; P1604-F1606 HydrophobicContact CB-CE1 3.83Å; P1604-F1606 HydrophobicContact CB-CE2 4.03Å; P1604-F1606 HydrophobicContact CB-CZ 3.71Å; P1604-F1606 HydrophobicContact CG-CD2 4.39Å; P1604-F1606 HydrophobicContact CG-CE1 4.01Å; P1604-F1606 HydrophobicContact CG-CE2 3.59Å; P1604-F1606 HydrophobicContact CG-CZ 3.36Å; P1604-F1606 PolarHBondContact O-N 2.96Å | ||
| 1605 | E | 89.4 | Confident | 89.1 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 20% | 0.201 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 92.6 | 163.4 | -68.9 | -175.4 | 157.8 | 0 | 0 | 109.5 | I1564 R1565 N1603 R1886 | I1564-E1605 CarbonylContact O-C 3.43Å; R1565-E1605 HydrophobicContact CB-CG 4.25Å; N1603-E1605 PolarHBondContact O-N 3.13Å; E1605-R1886 IonicContact OE2-CZ 3.88Å; E1605-R1886 IonicContact OE2-NH1 3.27Å; E1605-R1886 PolarHBondContact OE2-NH1 3.11Å; E1605-R1886 IonicContact OE2-NH2 2.95Å; E1605-R1886 PolarHBondContact OE2-NH2 3.38Å |
| 1606 | F | 92.8 | Very high | 89.5 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -46.7 | -179.2 | -60.6 | -71 | 0 | 0 | 0 | 112.5 | I1563 I1564 A1566 P1580 V1582 L1598 P1604 K1608 V1626 L1769 | I1563-F1606 HydrophobicContact CG2-CB 4.24Å; I1563-F1606 HydrophobicContact CG2-CD2 3.64Å; I1563-F1606 HydrophobicContact CG2-CE2 4.32Å; I1563-F1606 HydrophobicContact CG2-CG 4.2Å; I1564-F1606 PolarHBondContact O-N 3.13Å; A1566-F1606 HydrophobicContact CB-CE2 3.92Å; P1580-F1606 HydrophobicContact CB-CE1 4.33Å; P1580-F1606 HydrophobicContact CB-CZ 4.16Å; V1582-F1606 HydrophobicContact CG2-CD1 3.75Å; V1582-F1606 HydrophobicContact CG2-CD2 3.84Å; V1582-F1606 HydrophobicContact CG2-CE1 3.61Å; V1582-F1606 HydrophobicContact CG2-CE2 3.66Å; V1582-F1606 HydrophobicContact CG2-CG 3.85Å; V1582-F1606 HydrophobicContact CG2-CZ 3.54Å; L1598-F1606 HydrophobicContact CD1-CD1 3.84Å; L1598-F1606 HydrophobicContact CD1-CE1 4.19Å; L1598-F1606 HydrophobicContact CD1-CG 4.5Å; P1604-F1606 HydrophobicContact CB-CD1 4.3Å; P1604-F1606 HydrophobicContact CB-CD2 4.45Å; P1604-F1606 HydrophobicContact CB-CE1 3.83Å; P1604-F1606 HydrophobicContact CB-CE2 4.03Å; P1604-F1606 HydrophobicContact CB-CZ 3.71Å; P1604-F1606 HydrophobicContact CG-CD2 4.39Å; P1604-F1606 HydrophobicContact CG-CE1 4.01Å; P1604-F1606 HydrophobicContact CG-CE2 3.59Å; P1604-F1606 HydrophobicContact CG-CZ 3.36Å; P1604-F1606 PolarHBondContact O-N 2.96Å; F1606-K1608 VanDerWaalsContact C-N 3.33Å; F1606-K1608 PolarHBondContact O-N 2.83Å; F1606-V1626 HydrophobicContact CZ-CG1 4.3Å; F1606-L1769 HydrophobicContact CE2-CD1 4.16Å |
| 1607 | G | 90.7 | Very high | 90 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 45.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1563 I1564 I1789 | I1563-G1607 PolarHBondContact O-N 2.98Å; I1564-G1607 PolarHBondContact O-N 3Å; G1607-I1789 CarbonylContact C-O 3.5Å; G1607-I1789 WeakPolarHBondContact CA-O 2.97Å; G1607-I1789 CarbonylContact O-C 3.02Å |
| 1608 | K | 92 | Very high | 90.2 | Very high | 50 Ų | 50 | 37 Ų | 37 | 22% | 0.217 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.7 | -174.5 | -80.4 | 177.2 | -171.5 | 168.2 | 0 | 112.6 | I1563 K1596 F1606 F1610 | I1563-K1608 PolarHBondContact N-O 3.5Å; I1563-K1608 PolarHBondContact O-N 2.74Å; K1596-K1608 PolarHBondContact O-NZ 3.44Å; F1606-K1608 VanDerWaalsContact C-N 3.33Å; F1606-K1608 PolarHBondContact O-N 2.83Å; K1608-F1610 HydrophobicContact CB-CE2 3.84Å; K1608-F1610 HydrophobicContact CB-CZ 4.17Å; K1608-F1610 HydrophobicContact CD-CZ 4.34Å |
| 1609 | M | 93.5 | Very high | 90.5 | Very high | 61 Ų | 61 | 36 Ų | 36 | 30% | 0.3 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.9 | 171 | -177.3 | -79.3 | -60.9 | 0 | 0 | 109.4 | R1560 V1561 Y1562 Q1611 P1786 | R1560-M1609 HydrophobicContact CB-CG 4.46Å; R1560-M1609 HydrophobicContact CB-SD 4.25Å; R1560-M1609 HydrophobicContact CG-SD 4.1Å; V1561-M1609 CarbonylContact O-C 3.52Å; V1561-M1609 WeakPolarHBondContact O-CA 3.36Å; Y1562-M1609 HydrophobicContact CD1-CB 3.67Å; Y1562-M1609 HydrophobicContact CD1-CG 3.56Å; Y1562-M1609 HydrophobicContact CD2-CG 4.35Å; Y1562-M1609 HydrophobicContact CE1-CB 3.78Å; Y1562-M1609 HydrophobicContact CE1-CG 3.32Å; Y1562-M1609 HydrophobicContact CE2-CG 4.16Å; Y1562-M1609 HydrophobicContact CG-CB 4.39Å; Y1562-M1609 HydrophobicContact CG-CG 4.09Å; M1609-Q1611 HydrophobicContact CE-CB 4.45Å; M1609-Q1611 HydrophobicContact SD-CB 3.82Å; M1609-P1786 HydrophobicContact CE-CB 3.79Å; M1609-P1786 HydrophobicContact CE-CG 3.92Å |
| 1610 | F | 93.7 | Very high | 90.9 | Very high | 18 Ų | 18 | 35 Ų | 35 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.1 | 175.6 | -59.3 | -95 | 0 | 0 | 0 | 109.2 | R1560 V1561 I1563 I1584 V1591 K1608 M1612 | R1560-F1610 WeakPolarHBondContact CA-O 3.38Å; V1561-F1610 PolarHBondContact N-O 3.45Å; V1561-F1610 PolarHBondContact O-N 3.12Å; I1563-F1610 HydrophobicContact CG1-CD2 4.3Å; I1563-F1610 HydrophobicContact CG1-CE2 4.07Å; I1584-F1610 HydrophobicContact CD1-CB 3.85Å; I1584-F1610 HydrophobicContact CD1-CD1 4.31Å; I1584-F1610 HydrophobicContact CD1-CD2 3.22Å; I1584-F1610 HydrophobicContact CD1-CE2 3.71Å; I1584-F1610 HydrophobicContact CD1-CG 3.55Å; I1584-F1610 HydrophobicContact CD1-CZ 4.42Å; I1584-F1610 HydrophobicContact CG1-CD2 4.34Å; V1591-F1610 HydrophobicContact CB-CD1 4.26Å; V1591-F1610 HydrophobicContact CG1-CD1 3.78Å; V1591-F1610 HydrophobicContact CG1-CE1 4.12Å; K1608-F1610 HydrophobicContact CB-CE2 3.84Å; K1608-F1610 HydrophobicContact CB-CZ 4.17Å; K1608-F1610 HydrophobicContact CD-CZ 4.34Å; F1610-M1612 HydrophobicContact CB-CE 3.79Å |
| 1611 | Q | 93.6 | Very high | 91.5 | Very high | 90 Ų | 90 | 36.5 Ų | 36.5 | 42% | 0.421 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.7 | 176.9 | -172 | 171.6 | -52.3 | 0 | 0 | 110.1 | M1558 L1559 R1560 M1609 | M1558-Q1611 HydrophobicContact CG-CG 3.88Å; M1558-Q1611 HydrophobicContact SD-CG 3.56Å; M1558-Q1611 VanDerWaalsContact SD-CG 3.56Å; M1558-Q1611 PolarHBondContact SD-NE2 3.02Å; M1558-Q1611 VanDerWaalsContact SD-NE2 3.39Å; L1559-Q1611 WeakPolarHBondContact O-CA 3.46Å; R1560-Q1611 HydrophobicContact CG-CB 4.4Å; R1560-Q1611 HydrophobicContact CG-CG 4.11Å; M1609-Q1611 HydrophobicContact CE-CB 4.45Å; M1609-Q1611 HydrophobicContact SD-CB 3.82Å |
| 1612 | M | 93.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 5% | 0.054 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 160.1 | 179.8 | 59.8 | -164.4 | 77 | 0 | 0 | 110.9 | L1559 I1584 V1586 H1589 V1591 F1610 | L1559-M1612 HydrophobicContact CB-CG 4.06Å; L1559-M1612 HydrophobicContact CD2-CG 3.93Å; L1559-M1612 HydrophobicContact CD2-SD 4.15Å; L1559-M1612 PolarHBondContact N-O 3.11Å; L1559-M1612 PolarHBondContact O-N 3.23Å; I1584-M1612 HydrophobicContact CB-CE 4.16Å; I1584-M1612 HydrophobicContact CG2-CE 3.71Å; I1584-M1612 HydrophobicContact CG2-SD 4.15Å; V1586-M1612 HydrophobicContact CB-SD 4.37Å; V1586-M1612 HydrophobicContact CG1-CG 3.86Å; V1586-M1612 HydrophobicContact CG1-SD 3.29Å; V1586-M1612 WeakPolarHBondContact CG1-SD 3.26Å; H1589-M1612 HydrophobicContact CB-SD 4.49Å; V1591-M1612 HydrophobicContact CB-CE 4.46Å; V1591-M1612 HydrophobicContact CG2-CE 4.1Å; F1610-M1612 HydrophobicContact CB-CE 3.79Å |
| 1613 | K | 93.4 | Very high | 92.6 | Very high | 85 Ų | 85 | 36.8 Ų | 36.8 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.7 | 173.4 | -69.2 | -176.5 | 165.8 | -152.2 | 0 | 109.3 | E1556 C1557 M1558 H1589 | E1556-K1613 IonicContact OE1-NZ 3.22Å; E1556-K1613 IonicContact OE2-NZ 3.31Å; E1556-K1613 PolarHBondContact OE2-NZ 3.04Å; C1557-K1613 CarbonylContact O-C 3.41Å; C1557-K1613 WeakPolarHBondContact O-CA 3.32Å; M1558-K1613 HydrophobicContact CE-CD 4.41Å; M1558-K1613 HydrophobicContact CE-CG 3.9Å; M1558-K1613 HydrophobicContact SD-CG 3.85Å; H1589-K1613 PolarHBondContact CD2-O 3.46Å; H1589-K1613 PolarHBondContact NE2-O 3.34Å |
| 1614 | C | 94 | Very high | 93.1 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 155 | 169.3 | 65.5 | 0 | 0 | 0 | 0 | 110.3 | C1557 V1586 E1619 | C1557-C1614 PolarHBondContact N-O 3.31Å; C1557-C1614 PolarHBondContact O-N 3.27Å; V1586-C1614 HydrophobicContact CG1-CB 4.22Å; V1586-C1614 HydrophobicContact CG2-CB 3.8Å; C1614-E1619 VanDerWaalsContact CA-OE2 3.24Å; C1614-E1619 WeakPolarHBondContact CA-OE2 3.39Å; C1614-E1619 HydrophobicContact CB-CB 4.12Å |
| 1615 | I | 95.2 | Very high | 93.3 | Very high | 65 Ų | 65 | 33.4 Ų | 33.4 | 33% | 0.333 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 106 | 175.1 | -55.8 | 175.4 | 0 | 0 | 0 | 108.4 | P1554 I1618 E1619 | P1554-I1615 HydrophobicContact CB-CG2 3.63Å; I1615-I1618 HydrophobicContact CB-CD1 4.38Å; I1615-I1618 HydrophobicContact CG2-CB 4.48Å; I1615-I1618 HydrophobicContact CG2-CD1 3.72Å; I1615-I1618 HydrophobicContact CG2-CG1 4.19Å; I1615-I1618 WeakPolarHBondContact O-CA 3.17Å; I1615-I1618 WeakPolarHBondContact O-CB 3.41Å; I1615-I1618 PolarHBondContact O-N 2.98Å; I1615-E1619 PolarHBondContact N-OE2 2.99Å; I1615-E1619 PolarHBondContact O-N 3.48Å |
| 1616 | L | 93 | Very high | 93.5 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 137.4 | 176.7 | -62.1 | -177.4 | 0 | 0 | 0 | 110.1 | P1554 E1555 C1557 E1619 L1645 R1649 I1775 | P1554-L1616 CarbonylContact C-O 3.57Å; P1554-L1616 VanDerWaalsContact CA-O 3.23Å; P1554-L1616 WeakPolarHBondContact CA-O 3.44Å; E1555-L1616 PolarHBondContact N-O 2.91Å; E1555-L1616 PolarHBondContact O-N 3.43Å; C1557-L1616 HydrophobicContact CB-CD1 4.37Å; C1557-L1616 HydrophobicContact CB-CG 4.49Å; L1616-E1619 WeakPolarHBondContact CD2-O 3.21Å; L1616-L1645 HydrophobicContact CD1-CB 4.2Å; L1616-L1645 HydrophobicContact CD2-CB 3.76Å; L1616-L1645 HydrophobicContact CD2-CD1 4.22Å; L1616-R1649 HydrophobicContact CD1-CB 4.04Å; L1616-R1649 HydrophobicContact CD1-CG 4.28Å; L1616-I1775 HydrophobicContact CD1-CG2 4.13Å |
| 1617 | P | 92.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -97.4 | 14.2 | 3.5 | 38.6 | -35.8 | 0 | 0 | 0 | 114.3 | P1343 E1619 K1620 E1646 | P1343-P1617 HydrophobicContact CG-CG 3.87Å; P1617-E1619 VanDerWaalsContact C-N 3.27Å; P1617-E1619 PolarHBondContact O-N 2.93Å; P1617-K1620 WeakPolarHBondContact O-CB 3.46Å; P1617-E1646 HydrophobicContact CB-CB 4.11Å; P1617-E1646 HydrophobicContact CB-CG 3.96Å; P1617-E1646 VanDerWaalsContact CB-OE1 3.3Å; P1617-E1646 WeakPolarHBondContact CB-OE1 3.32Å; P1617-E1646 WeakPolarHBondContact CB-OE2 3.44Å |
| 1618 | I | 91.5 | Very high | 93.6 | Very high | 68 Ų | 68 | 32 Ų | 32 | 35% | 0.349 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -41.6 | -179.8 | -56.7 | 176.3 | 0 | 0 | 0 | 110.5 | K1341 P1554 I1615 | K1341-I1618 WeakPolarHBondContact O-CD1 3.25Å; P1554-I1618 HydrophobicContact CB-CD1 4.08Å; P1554-I1618 HydrophobicContact CB-CG1 4.34Å; P1554-I1618 HydrophobicContact CG-CD1 4.2Å; P1554-I1618 HydrophobicContact CG-CG1 4.46Å; I1615-I1618 HydrophobicContact CB-CD1 4.38Å; I1615-I1618 HydrophobicContact CG2-CB 4.48Å; I1615-I1618 HydrophobicContact CG2-CD1 3.72Å; I1615-I1618 HydrophobicContact CG2-CG1 4.19Å; I1615-I1618 WeakPolarHBondContact O-CA 3.17Å; I1615-I1618 WeakPolarHBondContact O-CB 3.41Å; I1615-I1618 PolarHBondContact O-N 2.98Å |
| 1619 | E | 92.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 15% | 0.145 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 54.3 | -178.9 | -57.3 | 178.3 | 133.9 | 0 | 0 | 109.4 | V1586 G1587 Q1588 C1614 I1615 L1616 P1617 | V1586-E1619 HydrophobicContact CG2-CB 4.23Å; V1586-E1619 VanDerWaalsContact CG2-O 3.31Å; V1586-E1619 WeakPolarHBondContact CG2-O 3.19Å; G1587-E1619 WeakPolarHBondContact CA-OE1 3.43Å; Q1588-E1619 PolarHBondContact N-OE1 2.87Å; C1614-E1619 VanDerWaalsContact CA-OE2 3.24Å; C1614-E1619 WeakPolarHBondContact CA-OE2 3.39Å; C1614-E1619 HydrophobicContact CB-CB 4.12Å; I1615-E1619 PolarHBondContact N-OE2 2.99Å; I1615-E1619 PolarHBondContact O-N 3.48Å; L1616-E1619 WeakPolarHBondContact CD2-O 3.21Å; P1617-E1619 VanDerWaalsContact C-N 3.27Å; P1617-E1619 PolarHBondContact O-N 2.93Å |
| 1620 | K | 92.1 | Very high | 93 | Very high | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | trans | -75.1 | -24.5 | -173.6 | 63.9 | 152.6 | -168.6 | 165.6 | 0 | 115.1 | R1307 E1522 P1617 D1644 L1645 E1646 | R1307-K1620 HydrophobicContact CG-CD 4.2Å; E1522-K1620 IonicContact OE2-NZ 2.75Å; E1522-K1620 PolarHBondContact OE2-NZ 2.93Å; P1617-K1620 WeakPolarHBondContact O-CB 3.46Å; K1620-D1644 IonicContact NZ-OD2 3.83Å; K1620-L1645 WeakPolarHBondContact O-CB 3.13Å; K1620-L1645 WeakPolarHBondContact O-CG 3.1Å; K1620-L1645 PolarHBondContact O-N 3.13Å; K1620-E1646 HydrophobicContact CB-CB 3.93Å | ||
| 1621 | E | 92.3 | Very high | 92.2 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.8 | -175.3 | -80 | 163 | -144.1 | 0 | 0 | 109.7 | H1623 | E1621-H1623 IonicContact OE2-CE1 3.39Å; E1621-H1623 IonicContact OE2-NE2 3.82Å |
| 1622 | L | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 110.3 | 168.7 | 176.4 | 65.3 | 0 | 0 | 0 | 108.4 | L1559 V1561 I1584 V1586 V1624 D1642 I1643 L1645 V1773 | L1559-L1622 HydrophobicContact CD2-CD1 3.79Å; L1559-L1622 HydrophobicContact CD2-CD2 4.22Å; V1561-L1622 HydrophobicContact CG1-CD2 4.45Å; V1561-L1622 HydrophobicContact CG2-CD1 4.17Å; V1561-L1622 HydrophobicContact CG2-CD2 3.8Å; I1584-L1622 HydrophobicContact CG2-CD1 3.44Å; I1584-L1622 VanDerWaalsContact CG2-CD1 3.44Å; V1586-L1622 HydrophobicContact CB-CD1 4.15Å; L1622-V1624 HydrophobicContact CD2-CG2 4.33Å; L1622-V1624 HydrophobicContact CG-CG2 4.09Å; L1622-D1642 WeakPolarHBondContact O-CA 3.47Å; L1622-I1643 HydrophobicContact CB-CB 4.28Å; L1622-I1643 HydrophobicContact CD2-CD1 4.25Å; L1622-I1643 PolarHBondContact N-O 3.16Å; L1622-I1643 PolarHBondContact O-N 2.94Å; L1622-L1645 HydrophobicContact CB-CD1 3.95Å; L1622-L1645 HydrophobicContact CB-CD2 4.05Å; L1622-L1645 HydrophobicContact CB-CG 3.9Å; L1622-L1645 HydrophobicContact CD2-CD2 4.07Å; L1622-V1773 HydrophobicContact CD2-CG1 4.28Å; L1622-V1773 HydrophobicContact CD2-CG2 3.75Å |
| 1623 | H | 94.8 | Very high | 90.3 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 22% | 0.218 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.4 | 173.8 | -51.1 | -75.4 | 0 | 0 | 0 | 109.1 | I1584 I1585 E1621 I1625 D1642 | I1584-H1623 WeakPolarHBondContact CA-O 3.4Å; I1585-H1623 HydrophobicContact CB-CB 4.2Å; I1585-H1623 PolarHBondContact N-O 3.34Å; I1585-H1623 PolarHBondContact O-N 3.03Å; E1621-H1623 IonicContact OE2-CE1 3.39Å; E1621-H1623 IonicContact OE2-NE2 3.82Å; H1623-I1625 HydrophobicContact CB-CG1 4.47Å; H1623-D1642 IonicContact CE1-OD1 3.45Å; H1623-D1642 IonicContact CG-OD1 2.82Å; H1623-D1642 IonicContact ND1-OD1 2.79Å; H1623-D1642 PolarHBondContact ND1-OD1 3.25Å; H1623-D1642 IonicContact ND1-OD2 3.55Å |
| 1624 | V | 96.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 113.4 | 173.9 | -172.7 | 0 | 0 | 0 | 0 | 108 | I1563 V1582 L1622 Q1640 T1641 L1769 M1771 | I1563-V1624 HydrophobicContact CD1-CG1 3.93Å; V1582-V1624 HydrophobicContact CG1-CG1 3.97Å; L1622-V1624 HydrophobicContact CD2-CG2 4.33Å; L1622-V1624 HydrophobicContact CG-CG2 4.09Å; V1624-Q1640 VanDerWaalsContact O-CA 3.31Å; V1624-Q1640 WeakPolarHBondContact O-CA 3.34Å; V1624-T1641 HydrophobicContact CB-CG2 4.11Å; V1624-T1641 PolarHBondContact N-O 3.15Å; V1624-T1641 PolarHBondContact O-N 2.82Å; V1624-L1769 HydrophobicContact CB-CD2 4.4Å; V1624-L1769 HydrophobicContact CG1-CD2 3.46Å; V1624-L1769 VanDerWaalsContact CG1-CD2 3.46Å; V1624-M1771 HydrophobicContact CG1-SD 4.39Å; V1624-M1771 HydrophobicContact CG2-CE 4Å; V1624-M1771 HydrophobicContact CG2-SD 4.16Å |
| 1625 | I | 95.3 | Very high | 89.4 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129 | -172.1 | -48.9 | 175.1 | 0 | 0 | 0 | 108 | V1582 E1583 I1585 H1623 K1627 I1637 Q1640 | V1582-I1625 WeakPolarHBondContact CA-O 3.19Å; E1583-I1625 HydrophobicContact CB-CB 4.33Å; E1583-I1625 PolarHBondContact N-O 2.95Å; E1583-I1625 PolarHBondContact O-N 2.79Å; I1585-I1625 HydrophobicContact CD1-CD1 3.76Å; I1585-I1625 HydrophobicContact CG1-CD1 4.43Å; H1623-I1625 HydrophobicContact CB-CG1 4.47Å; I1625-K1627 HydrophobicContact CG2-CG 3.85Å; I1625-I1637 HydrophobicContact CG2-CG1 4.23Å; I1625-I1637 HydrophobicContact CG2-CG2 3.79Å; I1625-Q1640 HydrophobicContact CB-CB 4.34Å; I1625-Q1640 HydrophobicContact CG1-CB 3.95Å; I1625-Q1640 HydrophobicContact CG2-CB 4.28Å |
| 1626 | V | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125 | 169.5 | -172.2 | 0 | 0 | 0 | 0 | 107.7 | L1569 P1580 F1606 I1638 G1639 L1756 L1769 | L1569-V1626 HydrophobicContact CD1-CG1 3.78Å; L1569-V1626 HydrophobicContact CD2-CG1 4.14Å; P1580-V1626 HydrophobicContact CB-CG1 4.08Å; F1606-V1626 HydrophobicContact CZ-CG1 4.3Å; V1626-I1638 HydrophobicContact CG1-CD1 4.26Å; V1626-I1638 WeakPolarHBondContact O-CB 3.26Å; V1626-I1638 PolarHBondContact O-N 3.21Å; V1626-G1639 PolarHBondContact N-O 3.21Å; V1626-G1639 PolarHBondContact O-N 2.89Å; V1626-L1756 HydrophobicContact CB-CD1 4.26Å; V1626-L1756 HydrophobicContact CG2-CD1 3.76Å; V1626-L1756 HydrophobicContact CG2-CD2 4.35Å; V1626-L1769 HydrophobicContact CG2-CD1 4.28Å; V1626-L1769 HydrophobicContact CG2-CD2 4.48Å |
| 1627 | K | 93.4 | Very high | 88.7 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152.4 | -177.1 | -67.8 | -172.2 | 179.7 | 175 | 0 | 111.3 | P1580 Y1581 E1583 I1625 D1636 I1637 | P1580-K1627 CarbonylContact C-O 3.58Å; P1580-K1627 VanDerWaalsContact CA-O 3.27Å; P1580-K1627 WeakPolarHBondContact CA-O 3.47Å; Y1581-K1627 HydrophobicContact CD1-CB 4.23Å; Y1581-K1627 HydrophobicContact CE1-CB 3.65Å; Y1581-K1627 HydrophobicContact CE2-CB 4.06Å; Y1581-K1627 HydrophobicContact CE2-CD 4.21Å; Y1581-K1627 PolarHBondContact N-O 2.87Å; Y1581-K1627 PolarHBondContact O-N 3.36Å; Y1581-K1627 WeakPolarHBondContact OH-CD 2.95Å; E1583-K1627 WeakPolarHBondContact OE1-CE 3.4Å; E1583-K1627 IonicContact OE1-NZ 2.86Å; E1583-K1627 PolarHBondContact OE1-NZ 3.28Å; E1583-K1627 IonicContact OE2-NZ 2.83Å; E1583-K1627 PolarHBondContact OE2-NZ 2.94Å; I1625-K1627 HydrophobicContact CG2-CG 3.85Å; K1627-D1636 CarbonylContact C-O 3.55Å; K1627-D1636 VanDerWaalsContact CA-O 3.22Å; K1627-D1636 WeakPolarHBondContact CA-O 3.34Å; K1627-D1636 WeakPolarHBondContact CB-O 3.25Å; K1627-I1637 HydrophobicContact CD-CG1 4.46Å; K1627-I1637 HydrophobicContact CG-CG1 4.23Å |
| 1628 | D | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 139.8 | 171.6 | -160.2 | 7.6 | 0 | 0 | 0 | 110.7 | S1572 D1573 D1579 D1635 D1636 I1638 | S1572-D1628 WeakPolarHBondContact CA-OD2 3.34Å; S1572-D1628 WeakPolarHBondContact CB-OD2 3.48Å; D1573-D1628 VanDerWaalsContact CG-OD2 3.32Å; D1573-D1628 PolarHBondContact N-OD2 3.32Å; D1579-D1628 WeakPolarHBondContact CA-OD1 3.39Å; D1579-D1628 WeakPolarHBondContact CB-OD1 3.47Å; D1579-D1628 PolarHBondContact N-OD1 3.4Å; D1628-D1635 WeakPolarHBondContact O-CA 3.34Å; D1628-D1635 WeakPolarHBondContact O-CB 3.35Å; D1628-D1636 HydrophobicContact CB-CB 4.48Å; D1628-D1636 PolarHBondContact N-O 3.22Å; D1628-I1638 HydrophobicContact CB-CD1 4.07Å; D1628-I1638 HydrophobicContact CB-CG1 4.05Å |
| 1629 | Y | 88.8 | Confident | 88.5 | Confident | 54 Ų | 54 | 39.8 Ų | 39.8 | 21% | 0.212 | 24% | 0.244 | C | C | . | . | trans | -95.9 | 107.8 | 179.2 | 170.4 | -102.3 | 0 | 0 | 0 | 111.3 | D1579 K1594 Y1597 | D1579-Y1629 PolarHBondContact O-N 3.31Å; K1594-Y1629 HydrophobicContact CD-CD2 4.31Å; K1594-Y1629 VanDerWaalsContact CE-CD2 3.48Å; K1594-Y1629 VanDerWaalsContact CE-CE2 3.44Å; K1594-Y1629 HydrophobicContact CG-CD2 4.09Å; Y1597-Y1629 AromaticContact CD1-CD1 3.74Å; Y1597-Y1629 HydrophobicContact CD1-CD1 3.74Å; Y1597-Y1629 HydrophobicContact CD1-CE1 4.18Å; Y1597-Y1629 AromaticContact CD1-CG 3.96Å; Y1597-Y1629 HydrophobicContact CD1-CG 3.96Å; Y1597-Y1629 AromaticContact CD2-CD1 3.96Å; Y1597-Y1629 HydrophobicContact CD2-CD1 3.96Å; Y1597-Y1629 HydrophobicContact CD2-CG 4.37Å; Y1597-Y1629 AromaticContact CE1-CD1 3.48Å; Y1597-Y1629 HydrophobicContact CE1-CD1 3.48Å; Y1597-Y1629 VanDerWaalsContact CE1-CD1 3.48Å; Y1597-Y1629 AromaticContact CE1-CE1 3.55Å; Y1597-Y1629 HydrophobicContact CE1-CE1 3.55Å; Y1597-Y1629 HydrophobicContact CE1-CG 4.15Å; Y1597-Y1629 AromaticContact CE2-CD1 3.68Å; Y1597-Y1629 HydrophobicContact CE2-CD1 3.68Å; Y1597-Y1629 HydrophobicContact CE2-CE1 4.28Å; Y1597-Y1629 AromaticContact CG-CD1 3.97Å; Y1597-Y1629 HydrophobicContact CG-CD1 3.97Å; Y1597-Y1629 HydrophobicContact CG-CG 4.07Å; Y1597-Y1629 AromaticContact CZ-CD1 3.43Å; Y1597-Y1629 VanDerWaalsContact CZ-CD1 3.43Å; Y1597-Y1629 AromaticContact CZ-CE1 3.59Å | ||
| 1630 | D | 83.5 | Confident | 88.5 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | trans | -93 | 125.5 | 173.5 | -65.3 | -74 | 0 | 0 | 0 | 112.3 | V1632 | D1630-V1632 PolarHBondContact O-N 3.14Š| ||
| 1631 | A | 76.4 | Confident | 88.6 | Confident | 73 Ų | 73 | 41 Ų | 41 | 60% | 0.603 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -63.9 | -26.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1632 | V | 72.1 | Confident | 88.6 | Confident | 142 Ų | 142 | 40.7 Ų | 40.7 | 86% | 0.861 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -136.9 | 104 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | D1630 | D1630-V1632 PolarHBondContact O-N 3.14Š|
| 1633 | G | 74.5 | Confident | 88.5 | Confident | 66 Ų | 66 | 40.9 Ų | 40.9 | 68% | 0.68 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 139.2 | -164.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1634 | A | 81.5 | Confident | 88.4 | Confident | 84 Ų | 84 | 40.3 Ų | 40.3 | 69% | 0.694 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -101.6 | 127.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | D1636 | A1634-D1636 PolarHBondContact O-N 2.97Š|
| 1635 | D | 87.3 | Confident | 88.4 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 126.6 | 176.8 | -60.2 | 33 | 0 | 0 | 0 | 113.1 | Y1581 K1594 D1628 | Y1581-D1635 HydrophobicContact CE1-CB 4.38Å; Y1581-D1635 WeakPolarHBondContact CE1-OD2 3.4Å; Y1581-D1635 VanDerWaalsContact CZ-OD2 3.24Å; Y1581-D1635 PolarHBondContact OH-OD2 3.15Å; K1594-D1635 WeakPolarHBondContact CD-OD2 3.35Å; K1594-D1635 WeakPolarHBondContact CE-OD2 3.45Å; K1594-D1635 IonicContact NZ-OD1 3.39Å; K1594-D1635 PolarHBondContact NZ-OD1 3.46Å; K1594-D1635 IonicContact NZ-OD2 2.89Å; K1594-D1635 PolarHBondContact NZ-OD2 3.04Å; D1628-D1635 WeakPolarHBondContact O-CA 3.34Å; D1628-D1635 WeakPolarHBondContact O-CB 3.35Å |
| 1636 | D | 84.8 | Confident | 88.3 | Confident | 85 Ų | 85 | 40 Ų | 40 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -78.2 | 143.5 | -179.7 | -77.2 | -34.4 | 0 | 0 | 0 | 113.3 | K1627 D1628 A1634 I1638 | K1627-D1636 CarbonylContact C-O 3.55Å; K1627-D1636 VanDerWaalsContact CA-O 3.22Å; K1627-D1636 WeakPolarHBondContact CA-O 3.34Å; K1627-D1636 WeakPolarHBondContact CB-O 3.25Å; D1628-D1636 HydrophobicContact CB-CB 4.48Å; D1628-D1636 PolarHBondContact N-O 3.22Å; A1634-D1636 PolarHBondContact O-N 2.97Å; D1636-I1638 PolarHBondContact O-N 3.1Å |
| 1637 | I | 89.4 | Confident | 88.1 | Confident | 63 Ų | 63 | 41 Ų | 41 | 32% | 0.323 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 107.9 | 172.9 | -62.6 | 172.5 | 0 | 0 | 0 | 108.4 | I1625 K1627 | I1625-I1637 HydrophobicContact CG2-CG1 4.23Å; I1625-I1637 HydrophobicContact CG2-CG2 3.79Å; K1627-I1637 HydrophobicContact CD-CG1 4.46Å; K1627-I1637 HydrophobicContact CG-CG1 4.23Å |
| 1638 | I | 88 | Confident | 88.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | -51.1 | 172.3 | -54.5 | -179.9 | 0 | 0 | 0 | 108.9 | L1569 Q1570 A1578 P1580 V1626 D1628 D1636 Q1766 | L1569-I1638 HydrophobicContact CB-CG2 4.27Å; L1569-I1638 HydrophobicContact CD1-CD1 4.34Å; L1569-I1638 HydrophobicContact CD2-CG2 4.25Å; Q1570-I1638 HydrophobicContact CB-CG2 4.01Å; Q1570-I1638 WeakPolarHBondContact O-CG2 3.18Å; A1578-I1638 HydrophobicContact CB-CD1 3.69Å; P1580-I1638 HydrophobicContact CB-CD1 4.37Å; V1626-I1638 HydrophobicContact CG1-CD1 4.26Å; V1626-I1638 WeakPolarHBondContact O-CB 3.26Å; V1626-I1638 PolarHBondContact O-N 3.21Å; D1628-I1638 HydrophobicContact CB-CD1 4.07Å; D1628-I1638 HydrophobicContact CB-CG1 4.05Å; D1636-I1638 PolarHBondContact O-N 3.1Å; I1638-Q1766 WeakPolarHBondContact O-CB 3.4Å; I1638-Q1766 WeakPolarHBondContact O-CG 3.28Å |
| 1639 | G | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 164.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1626 Y1757 | V1626-G1639 PolarHBondContact N-O 3.21Å; V1626-G1639 PolarHBondContact O-N 2.89Å; G1639-Y1757 WeakPolarHBondContact CA-O 2.98Å |
| 1640 | Q | 93.5 | Very high | 88.2 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 158.6 | -178.1 | 66 | -178.7 | 28.6 | 0 | 0 | 112.7 | V1624 I1625 Y1757 | V1624-Q1640 VanDerWaalsContact O-CA 3.31Å; V1624-Q1640 WeakPolarHBondContact O-CA 3.34Å; I1625-Q1640 HydrophobicContact CB-CB 4.34Å; I1625-Q1640 HydrophobicContact CG1-CB 3.95Å; I1625-Q1640 HydrophobicContact CG2-CB 4.28Å; Q1640-Y1757 PolarHBondContact N-O 2.9Å; Q1640-Y1757 PolarHBondContact O-N 3.45Å |
| 1641 | T | 94.3 | Very high | 88.5 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.3 | 172.1 | -167 | 0 | 0 | 0 | 0 | 109.9 | V1624 R1754 L1755 L1756 | V1624-T1641 HydrophobicContact CB-CG2 4.11Å; V1624-T1641 PolarHBondContact N-O 3.15Å; V1624-T1641 PolarHBondContact O-N 2.82Å; T1641-R1754 HydrophobicContact CG2-CB 3.98Å; T1641-R1754 PolarHBondContact OG1-NE 3.02Å; T1641-L1755 WeakPolarHBondContact CB-O 3.44Å; T1641-L1755 PolarHBondContact OG1-O 2.9Å; T1641-L1756 HydrophobicContact CG2-CD2 4.11Å |
| 1642 | D | 92.4 | Very high | 89 | Confident | 73 Ų | 73 | 41.5 Ų | 41.5 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.9 | -175.1 | -57.7 | -37.5 | 0 | 0 | 0 | 110.8 | L1622 H1623 R1754 | L1622-D1642 WeakPolarHBondContact O-CA 3.47Å; H1623-D1642 IonicContact CE1-OD1 3.45Å; H1623-D1642 IonicContact CG-OD1 2.82Å; H1623-D1642 IonicContact ND1-OD1 2.79Å; H1623-D1642 PolarHBondContact ND1-OD1 3.25Å; H1623-D1642 IonicContact ND1-OD2 3.55Å; D1642-R1754 PolarHBondContact O-NH2 2.82Å |
| 1643 | I | 94.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.1 | 179.6 | -57.2 | 173.9 | 0 | 0 | 0 | 109.8 | L1622 L1645 M1771 V1773 | L1622-I1643 HydrophobicContact CB-CB 4.28Å; L1622-I1643 HydrophobicContact CD2-CD1 4.25Å; L1622-I1643 PolarHBondContact N-O 3.16Å; L1622-I1643 PolarHBondContact O-N 2.94Å; I1643-L1645 HydrophobicContact CG2-CD2 4.31Å; I1643-L1645 PolarHBondContact O-N 2.91Å; I1643-M1771 HydrophobicContact CD1-CE 3.66Å; I1643-M1771 HydrophobicContact CD1-SD 4.22Å; I1643-V1773 HydrophobicContact CD1-CG2 3.92Å |
| 1644 | D | 93.4 | Very high | 90.6 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 96.9 | 172.2 | -170.1 | -38.2 | 0 | 0 | 0 | 110.2 | K1524 K1620 E1646 N1647 R1648 | K1524-D1644 IonicContact NZ-OD1 2.71Å; K1524-D1644 PolarHBondContact NZ-OD1 3.35Å; K1524-D1644 IonicContact NZ-OD2 3.57Å; K1524-D1644 PolarHBondContact NZ-OD2 3.23Å; K1620-D1644 IonicContact NZ-OD2 3.83Å; D1644-E1646 PolarHBondContact O-N 2.83Å; D1644-E1646 WeakPolarHBondContact OD1-CA 3.26Å; D1644-E1646 VanDerWaalsContact OD1-CB 3.3Å; D1644-E1646 WeakPolarHBondContact OD1-CB 3.12Å; D1644-E1646 PolarHBondContact OD1-N 2.65Å; D1644-N1647 HydrophobicContact CB-CB 4.4Å; D1644-N1647 PolarHBondContact O-N 3.43Å; D1644-N1647 PolarHBondContact OD1-N 2.89Å; D1644-R1648 PolarHBondContact O-N 3.05Å |
| 1645 | L | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.6 | -26.9 | 180 | -62.2 | 178.7 | 0 | 0 | 0 | 112.9 | L1559 V1586 L1616 K1620 L1622 I1643 R1649 V1773 I1775 | L1559-L1645 HydrophobicContact CD1-CD1 3.66Å; L1559-L1645 HydrophobicContact CD1-CD2 3.69Å; L1559-L1645 HydrophobicContact CD1-CG 4.32Å; L1559-L1645 HydrophobicContact CD2-CD1 4.35Å; V1586-L1645 HydrophobicContact CG2-CD1 3.97Å; L1616-L1645 HydrophobicContact CD1-CB 4.2Å; L1616-L1645 HydrophobicContact CD2-CB 3.76Å; L1616-L1645 HydrophobicContact CD2-CD1 4.22Å; K1620-L1645 WeakPolarHBondContact O-CB 3.13Å; K1620-L1645 WeakPolarHBondContact O-CG 3.1Å; K1620-L1645 PolarHBondContact O-N 3.13Å; L1622-L1645 HydrophobicContact CB-CD1 3.95Å; L1622-L1645 HydrophobicContact CB-CD2 4.05Å; L1622-L1645 HydrophobicContact CB-CG 3.9Å; L1622-L1645 HydrophobicContact CD2-CD2 4.07Å; I1643-L1645 HydrophobicContact CG2-CD2 4.31Å; I1643-L1645 PolarHBondContact O-N 2.91Å; L1645-R1649 WeakPolarHBondContact O-CB 3.36Å; L1645-R1649 PolarHBondContact O-N 3.06Å; L1645-V1773 HydrophobicContact CD2-CG1 3.96Å; L1645-I1775 HydrophobicContact CB-CD1 4.3Å; L1645-I1775 HydrophobicContact CD2-CD1 4.04Å; L1645-I1775 HydrophobicContact CD2-CG1 4.5Å |
| 1646 | E | 93.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 2% | 0.023 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.8 | -47.5 | 178.3 | 168.9 | 179.8 | -148.3 | 0 | 0 | 110.4 | W1304 R1307 K1524 P1617 K1620 D1644 R1648 R1649 L1650 | W1304-E1646 PolarHBondContact NE1-OE1 3.45Å; R1307-E1646 IonicContact CZ-OE1 3.25Å; R1307-E1646 IonicContact CZ-OE2 3.35Å; R1307-E1646 IonicContact NE-OE1 3.47Å; R1307-E1646 IonicContact NE-OE2 3.6Å; R1307-E1646 PolarHBondContact NE-OE2 3.08Å; R1307-E1646 VanDerWaalsContact NH2-CD 3.34Å; R1307-E1646 IonicContact NH2-OE1 3.13Å; R1307-E1646 PolarHBondContact NH2-OE1 3.48Å; R1307-E1646 IonicContact NH2-OE2 3.64Å; R1307-E1646 PolarHBondContact NH2-OE2 3.05Å; K1524-E1646 VanDerWaalsContact CD-OE2 3.3Å; K1524-E1646 WeakPolarHBondContact CD-OE2 3.31Å; K1524-E1646 WeakPolarHBondContact CE-OE2 3.35Å; K1524-E1646 IonicContact NZ-OE2 3.01Å; K1524-E1646 PolarHBondContact NZ-OE2 3.39Å; P1617-E1646 HydrophobicContact CB-CB 4.11Å; P1617-E1646 HydrophobicContact CB-CG 3.96Å; P1617-E1646 VanDerWaalsContact CB-OE1 3.3Å; P1617-E1646 WeakPolarHBondContact CB-OE1 3.32Å; P1617-E1646 WeakPolarHBondContact CB-OE2 3.44Å; K1620-E1646 HydrophobicContact CB-CB 3.93Å; D1644-E1646 PolarHBondContact O-N 2.83Å; D1644-E1646 WeakPolarHBondContact OD1-CA 3.26Å; D1644-E1646 VanDerWaalsContact OD1-CB 3.3Å; D1644-E1646 WeakPolarHBondContact OD1-CB 3.12Å; D1644-E1646 PolarHBondContact OD1-N 2.65Å; E1646-R1648 VanDerWaalsContact C-N 3.28Å; E1646-R1648 PolarHBondContact O-N 2.89Å; E1646-R1649 PolarHBondContact O-N 2.85Å; E1646-L1650 HydrophobicContact CG-CD1 3.51Å; E1646-L1650 HydrophobicContact CG-CG 4.16Å; E1646-L1650 WeakPolarHBondContact O-CB 3.42Å; E1646-L1650 VanDerWaalsContact O-CG 3.31Å; E1646-L1650 WeakPolarHBondContact O-CG 2.92Å; E1646-L1650 PolarHBondContact O-N 3.44Å |
| 1647 | N | 92.3 | Very high | 92 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 11% | 0.107 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 178.1 | -75.5 | 6.4 | 0 | 0 | 0 | 111.2 | F1497 K1524 D1644 R1649 L1650 T1651 | F1497-N1647 HydrophobicContact CB-CB 4.11Å; K1524-N1647 PolarHBondContact NZ-OD1 3.09Å; D1644-N1647 HydrophobicContact CB-CB 4.4Å; D1644-N1647 PolarHBondContact O-N 3.43Å; D1644-N1647 PolarHBondContact OD1-N 2.89Å; N1647-R1649 VanDerWaalsContact C-N 3.29Å; N1647-R1649 PolarHBondContact O-N 2.71Å; N1647-L1650 PolarHBondContact O-N 3.07Å; N1647-T1651 WeakPolarHBondContact O-CB 3.41Å; N1647-T1651 PolarHBondContact O-N 3Å |
| 1648 | R | 93.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -32.6 | 175 | -71.7 | -164.4 | -176.7 | -169.8 | 2 | 113.7 | E1489 F1497 D1644 E1646 T1651 A1655 E1752 I1775 | E1489-R1648 IonicContact OE2-CZ 3.41Å; E1489-R1648 IonicContact OE2-NE 3.11Å; E1489-R1648 IonicContact OE2-NH2 2.85Å; E1489-R1648 PolarHBondContact OE2-NH2 3.1Å; F1497-R1648 HydrophobicContact CD2-CG 4.08Å; F1497-R1648 HydrophobicContact CE2-CG 4.3Å; D1644-R1648 PolarHBondContact O-N 3.05Å; E1646-R1648 VanDerWaalsContact C-N 3.28Å; E1646-R1648 PolarHBondContact O-N 2.89Å; R1648-T1651 WeakPolarHBondContact O-CG2 3.4Å; R1648-A1655 HydrophobicContact CB-CB 4.04Å; R1648-A1655 HydrophobicContact CG-CB 4.08Å; R1648-A1655 CarbonylContact O-C 3.57Å; R1648-E1752 IonicContact CZ-OE1 2.8Å; R1648-E1752 VanDerWaalsContact CZ-OE1 3.26Å; R1648-E1752 IonicContact CZ-OE2 3.54Å; R1648-E1752 IonicContact NH1-OE1 2.61Å; R1648-E1752 PolarHBondContact NH1-OE1 3.37Å; R1648-E1752 IonicContact NH1-OE2 3.4Å; R1648-E1752 IonicContact NH2-OE1 3.33Å; R1648-E1752 PolarHBondContact NH2-OE1 3.45Å; R1648-E1752 IonicContact NH2-OE2 2.64Å; R1648-E1752 PolarHBondContact NH2-OE2 3.5Å; R1648-I1775 HydrophobicContact CB-CD1 3.84Å |
| 1649 | R | 92.6 | Very high | 92.4 | Very high | 73 Ų | 73 | 22.8 Ų | 22.8 | 28% | 0.275 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -76.1 | -35 | 177.3 | 177.3 | 61.1 | -174.9 | 100.2 | 0.2 | 113.1 | E1555 L1616 L1645 E1646 N1647 | E1555-R1649 IonicContact OE2-CZ 3.51Å; E1555-R1649 IonicContact OE2-NE 3.72Å; E1555-R1649 PolarHBondContact OE2-NE 2.89Å; E1555-R1649 IonicContact OE2-NH2 3.59Å; E1555-R1649 PolarHBondContact OE2-NH2 2.91Å; L1616-R1649 HydrophobicContact CD1-CB 4.04Å; L1616-R1649 HydrophobicContact CD1-CG 4.28Å; L1645-R1649 WeakPolarHBondContact O-CB 3.36Å; L1645-R1649 PolarHBondContact O-N 3.06Å; E1646-R1649 PolarHBondContact O-N 2.85Å; N1647-R1649 VanDerWaalsContact C-N 3.29Å; N1647-R1649 PolarHBondContact O-N 2.71Å |
| 1650 | L | 90 | Very high | 92.5 | Very high | 22 Ų | 22 | 23.2 Ų | 23.2 | 12% | 0.115 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -89.9 | -25.9 | -172.7 | -67.2 | 177.5 | 0 | 0 | 0 | 114 | W1304 F1500 V1550 E1646 N1647 | W1304-L1650 HydrophobicContact CZ2-CD1 4.37Å; W1304-L1650 HydrophobicContact CZ2-CD2 4.2Å; F1500-L1650 HydrophobicContact CB-CB 4.12Å; F1500-L1650 HydrophobicContact CD1-CB 3.98Å; F1500-L1650 HydrophobicContact CD1-CD1 3.69Å; F1500-L1650 HydrophobicContact CD1-CD2 4.43Å; F1500-L1650 HydrophobicContact CD1-CG 4.25Å; F1500-L1650 HydrophobicContact CE1-CD1 3.88Å; F1500-L1650 HydrophobicContact CE1-CD2 4.3Å; F1500-L1650 HydrophobicContact CG-CB 4.06Å; V1550-L1650 HydrophobicContact CG1-CD2 3.73Å; E1646-L1650 HydrophobicContact CG-CD1 3.51Å; E1646-L1650 HydrophobicContact CG-CG 4.16Å; E1646-L1650 WeakPolarHBondContact O-CB 3.42Å; E1646-L1650 VanDerWaalsContact O-CG 3.31Å; E1646-L1650 WeakPolarHBondContact O-CG 2.92Å; E1646-L1650 PolarHBondContact O-N 3.44Å; N1647-L1650 PolarHBondContact O-N 3.07Å |
| 1651 | T | 90.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | trans | -60 | 138.7 | -176.4 | -177.8 | 0 | 0 | 0 | 0 | 113.6 | F1497 D1499 N1647 R1648 Y1653 R1654 A1655 | F1497-T1651 HydrophobicContact CB-CG2 4.28Å; F1497-T1651 HydrophobicContact CD1-CG2 3.7Å; F1497-T1651 HydrophobicContact CE1-CG2 4.26Å; F1497-T1651 HydrophobicContact CG-CG2 4.1Å; D1499-T1651 WeakPolarHBondContact OD1-CA 3.5Å; D1499-T1651 VanDerWaalsContact OD1-CB 3.23Å; D1499-T1651 WeakPolarHBondContact OD1-CB 3.49Å; D1499-T1651 PolarHBondContact OD1-OG1 2.88Å; N1647-T1651 WeakPolarHBondContact O-CB 3.41Å; N1647-T1651 PolarHBondContact O-N 3Å; R1648-T1651 WeakPolarHBondContact O-CG2 3.4Å; T1651-Y1653 PolarHBondContact O-N 2.72Å; T1651-Y1653 WeakPolarHBondContact OG1-CD2 3.44Å; T1651-Y1653 PolarHBondContact OG1-N 3.14Å; T1651-R1654 PolarHBondContact O-N 2.93Å; T1651-R1654 VanDerWaalsContact O-N 3.15Å; T1651-A1655 HydrophobicContact CG2-CB 3.7Å | ||
| 1652 | K | 85.1 | Confident | 92.1 | Very high | 93 Ų | 93 | 24.4 Ų | 24.4 | 40% | 0.404 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.3 | 172.9 | 77.5 | -167.3 | 176.3 | 178.7 | 0 | 113 | D1499 R1654 L1746 | D1499-K1652 HydrophobicContact CB-CD 4.35Å; D1499-K1652 WeakPolarHBondContact OD2-CB 3.42Å; D1499-K1652 WeakPolarHBondContact OD2-CD 3.39Å; D1499-K1652 WeakPolarHBondContact OD2-CG 3.23Å; D1499-K1652 PolarHBondContact OD2-N 2.87Å; K1652-R1654 PolarHBondContact O-N 2.96Å; K1652-L1746 WeakPolarHBondContact O-CD2 3.37Å |
| 1653 | Y | 89.8 | Confident | 92.1 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 6% | 0.059 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -4.7 | 178.4 | -54.7 | -61.1 | 0 | 0 | 0 | 112.6 | G1493 F1494 N1495 F1497 D1499 T1651 P1745 L1746 V1747 | G1493-Y1653 PolarHBondContact O-OH 3.02Å; F1494-Y1653 HydrophobicContact CB-CD2 4.33Å; F1494-Y1653 HydrophobicContact CD1-CD1 4.07Å; F1494-Y1653 HydrophobicContact CD1-CD2 4.24Å; F1494-Y1653 AromaticContact CD1-CG 3.86Å; F1494-Y1653 HydrophobicContact CD1-CG 3.86Å; F1494-Y1653 WeakPolarHBondContact O-CE2 3.49Å; N1495-Y1653 PolarHBondContact ND2-OH 3.4Å; N1495-Y1653 VanDerWaalsContact ND2-OH 3.17Å; F1497-Y1653 HydrophobicContact CD1-CD2 4.07Å; F1497-Y1653 HydrophobicContact CE1-CD2 4.38Å; D1499-Y1653 HydrophobicContact CB-CE2 4.07Å; T1651-Y1653 PolarHBondContact O-N 2.72Å; T1651-Y1653 WeakPolarHBondContact OG1-CD2 3.44Å; T1651-Y1653 PolarHBondContact OG1-N 3.14Å; Y1653-P1745 VanDerWaalsContact CD1-O 3.25Å; Y1653-P1745 WeakPolarHBondContact CD1-O 3.24Å; Y1653-L1746 WeakPolarHBondContact O-CA 3.46Å; Y1653-V1747 PolarHBondContact O-N 2.91Å |
| 1654 | R | 92.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 21.6 Ų | 21.6 | 13% | 0.125 | 10% | 0.101 | C | C | . | . | trans | 60 | 50 | 174.1 | -161.7 | -169.5 | -178 | -100.6 | -7.9 | 113.4 | T1651 K1652 T1656 C1657 L1659 D1673 L1746 | T1651-R1654 PolarHBondContact O-N 2.93Å; T1651-R1654 VanDerWaalsContact O-N 3.15Å; K1652-R1654 PolarHBondContact O-N 2.96Å; R1654-T1656 PolarHBondContact O-N 3.33Å; R1654-C1657 PolarHBondContact NH1-O 2.88Å; R1654-L1659 VanDerWaalsContact NH1-CD2 3.35Å; R1654-D1673 IonicContact CZ-OD2 2.79Å; R1654-D1673 IonicContact NH1-OD2 3.57Å; R1654-D1673 PolarHBondContact NH1-OD2 2.92Å; R1654-D1673 VanDerWaalsContact NH2-CG 3.26Å; R1654-D1673 IonicContact NH2-OD1 3.13Å; R1654-D1673 PolarHBondContact NH2-OD1 3.37Å; R1654-D1673 IonicContact NH2-OD2 2.8Å; R1654-D1673 PolarHBondContact NH2-OD2 2.83Å; R1654-L1746 HydrophobicContact CB-CD2 4.13Å | ||
| 1655 | A | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 3% | 0.025 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | L1488 F1497 R1648 T1651 V1747 | L1488-A1655 HydrophobicContact CD2-CB 4.24Å; F1497-A1655 HydrophobicContact CD1-CB 4.31Å; F1497-A1655 HydrophobicContact CD2-CB 4.34Å; F1497-A1655 HydrophobicContact CE1-CB 3.84Å; F1497-A1655 HydrophobicContact CE2-CB 3.88Å; F1497-A1655 HydrophobicContact CZ-CB 3.6Å; R1648-A1655 HydrophobicContact CB-CB 4.04Å; R1648-A1655 HydrophobicContact CG-CB 4.08Å; R1648-A1655 CarbonylContact O-C 3.57Å; T1651-A1655 HydrophobicContact CG2-CB 3.7Å; A1655-V1747 HydrophobicContact CB-CG2 3.86Å |
| 1656 | T | 93.6 | Very high | 91.3 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 10% | 0.098 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -52.6 | -177.6 | 44 | 0 | 0 | 0 | 0 | 112.5 | R1654 D1774 I1775 | R1654-T1656 PolarHBondContact O-N 3.33Å; T1656-D1774 CarbonylContact O-C 3.52Å; T1656-D1774 WeakPolarHBondContact O-CA 3.44Å; T1656-I1775 HydrophobicContact CG2-CB 4.28Å; T1656-I1775 PolarHBondContact O-N 3.09Å |
| 1657 | C | 94.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -142.6 | 118.1 | 172.7 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | R1654 D1673 F1776 | R1654-C1657 PolarHBondContact NH1-O 2.88Å; C1657-D1673 WeakPolarHBondContact CB-OD2 3.26Å; C1657-F1776 HydrophobicContact CB-CE1 3.86Å; C1657-F1776 HydrophobicContact CB-CZ 4.27Å |
| 1658 | G | 92.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 143.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1660 | G1658-P1660 WeakPolarHBondContact O-CD 3.44Š|
| 1659 | L | 94 | Very high | 89.7 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 120 | -177.5 | -65.3 | 173 | 0 | 0 | 0 | 112.7 | R1654 W1671 L1738 L1741 L1746 V1747 E1749 | R1654-L1659 VanDerWaalsContact NH1-CD2 3.35Å; L1659-W1671 HydrophobicContact CD2-CH2 4.06Å; L1659-L1738 HydrophobicContact CB-CD1 4.25Å; L1659-L1738 HydrophobicContact CD2-CD1 3.9Å; L1659-L1741 HydrophobicContact CD1-CB 3.82Å; L1659-L1741 HydrophobicContact CD2-CD1 4.43Å; L1659-L1746 HydrophobicContact CD1-CB 3.8Å; L1659-L1746 HydrophobicContact CD1-CD1 3.8Å; L1659-L1746 HydrophobicContact CD1-CG 4.47Å; L1659-V1747 PolarHBondContact N-O 2.92Å; L1659-V1747 VanDerWaalsContact N-O 3.09Å; L1659-E1749 WeakPolarHBondContact O-CB 3.37Å; L1659-E1749 PolarHBondContact O-N 3.25Å |
| 1660 | P | 92.5 | Very high | 89.6 | Confident | 8 Ų | 8 | 26.8 Ų | 26.8 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 161.1 | 170.9 | 28.4 | -33.7 | 0 | 0 | 0 | 111.2 | G1658 W1671 L1738 N1742 E1749 | G1658-P1660 WeakPolarHBondContact O-CD 3.44Å; P1660-W1671 HydrophobicContact CG-CE3 3.78Å; P1660-W1671 HydrophobicContact CG-CZ3 3.73Å; P1660-L1738 HydrophobicContact CG-CD2 4.14Å; P1660-L1738 WeakPolarHBondContact O-CD2 3.41Å; P1660-N1742 PolarHBondContact O-ND2 2.85Å; P1660-E1749 WeakPolarHBondContact CB-OE2 3.17Å |
| 1661 | Q | 89.9 | Confident | 89.7 | Confident | 86 Ų | 86 | 26.9 Ų | 26.9 | 40% | 0.402 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -69.4 | -37.8 | -179.4 | -58.3 | 177.4 | 4.4 | 0 | 0 | 112 | D1479 T1480 N1742 | D1479-Q1661 HydrophobicContact CB-CB 4.03Å; D1479-Q1661 HydrophobicContact CB-CG 4.29Å; D1479-Q1661 PolarHBondContact OD2-N 3.42Å; T1480-Q1661 PolarHBondContact O-NE2 3.04Å; T1480-Q1661 VanDerWaalsContact O-NE2 3.09Å; T1480-Q1661 PolarHBondContact OG1-NE2 3.45Å; Q1661-N1742 PolarHBondContact O-ND2 2.88Å |
| 1662 | S | 90 | Very high | 89.8 | Confident | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -125.6 | 143.9 | -177.3 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | D1479 C1664 L1738 | D1479-S1662 WeakPolarHBondContact OD1-CB 3.49Å; D1479-S1662 PolarHBondContact OD1-OG 3.06Å; D1479-S1662 WeakPolarHBondContact OD2-CA 3.42Å; D1479-S1662 VanDerWaalsContact OD2-CB 3.27Å; D1479-S1662 WeakPolarHBondContact OD2-CB 3.39Å; D1479-S1662 PolarHBondContact OD2-N 3.35Å; S1662-C1664 PolarHBondContact O-N 3.22Å; S1662-L1738 VanDerWaalsContact C-CD2 3.41Å |
| 1663 | Y | 92.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 23.4 Ų | 23.4 | 7% | 0.067 | 13% | 0.131 | C | C | . | . | trans | -87.1 | 107.4 | 179.5 | 178 | -106.3 | 0 | 0 | 0 | 110.2 | V1665 W1671 L1676 P1677 G1730 P1731 E1734 R1735 L1738 | Y1663-V1665 HydrophobicContact CE1-CG1 3.93Å; Y1663-W1671 HydrophobicContact CD2-CB 4.15Å; Y1663-W1671 AromaticContact CD2-CD2 3.75Å; Y1663-W1671 HydrophobicContact CD2-CD2 3.75Å; Y1663-W1671 AromaticContact CD2-CE3 3.59Å; Y1663-W1671 HydrophobicContact CD2-CE3 3.59Å; Y1663-W1671 HydrophobicContact CD2-CG 4.02Å; Y1663-W1671 HydrophobicContact CD2-CZ3 4.24Å; Y1663-W1671 HydrophobicContact CE2-CB 3.72Å; Y1663-W1671 AromaticContact CE2-CD2 3.6Å; Y1663-W1671 HydrophobicContact CE2-CD2 3.6Å; Y1663-W1671 AromaticContact CE2-CE3 3.98Å; Y1663-W1671 HydrophobicContact CE2-CE3 3.98Å; Y1663-W1671 AromaticContact CE2-CG 3.49Å; Y1663-W1671 HydrophobicContact CE2-CG 3.49Å; Y1663-W1671 VanDerWaalsContact CE2-CG 3.49Å; Y1663-L1676 WeakPolarHBondContact OH-CD2 3.28Å; Y1663-P1677 HydrophobicContact CD2-CG 3.4Å; Y1663-P1677 HydrophobicContact CE2-CG 3.62Å; Y1663-P1677 HydrophobicContact CG-CG 4.08Å; Y1663-G1730 PolarHBondContact O-N 3.38Å; Y1663-P1731 HydrophobicContact CE1-CG 4.18Å; Y1663-E1734 HydrophobicContact CD1-CB 3.57Å; Y1663-E1734 HydrophobicContact CE1-CB 3.46Å; Y1663-E1734 VanDerWaalsContact CE1-CB 3.46Å; Y1663-E1734 HydrophobicContact CE1-CG 4.06Å; Y1663-E1734 HydrophobicContact CE2-CB 4.43Å; Y1663-E1734 HydrophobicContact CG-CB 4.12Å; Y1663-R1735 HydrophobicContact CD1-CG 4.25Å; Y1663-L1738 VanDerWaalsContact N-CD2 3.32Å | ||
| 1664 | C | 90.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -113.2 | 139 | 178.2 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | S1662 N1669 W1671 H1728 | S1662-C1664 PolarHBondContact O-N 3.22Å; C1664-N1669 HydrophobicContact CB-CB 4.17Å; C1664-N1669 WeakPolarHBondContact CB-O 3.23Å; C1664-W1671 PolarHBondContact O-N 3.09Å; C1664-H1728 CarbonylContact C-O 3.59Å; C1664-H1728 WeakPolarHBondContact CA-O 3.37Å; C1664-H1728 HydrophobicContact CB-CB 3.98Å; C1664-H1728 WeakPolarHBondContact CB-O 3.25Å |
| 1665 | V | 88.8 | Confident | 90.1 | Very high | 70 Ų | 70 | 25.6 Ų | 25.6 | 42% | 0.424 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -95.2 | -8.5 | 179.3 | -67.2 | 0 | 0 | 0 | 0 | 113.3 | Y1663 Q1670 H1728 | Y1663-V1665 HydrophobicContact CE1-CG1 3.93Å; V1665-Q1670 PolarHBondContact O-NE2 2.82Å; V1665-H1728 PolarHBondContact N-O 3Å |
| 1666 | S | 85.8 | Confident | 90.1 | Very high | 42 Ų | 42 | 28.7 Ų | 28.7 | 29% | 0.294 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -153.3 | 176.9 | 179.1 | 61 | 0 | 0 | 0 | 0 | 110.4 | H1728 | S1666-H1728 WeakPolarHBondContact O-CB 3.23Å; S1666-H1728 PolarHBondContact OG-ND1 3.37Å |
| 1667 | G | 80.5 | Confident | 90.2 | Very high | 33 Ų | 33 | 28 Ų | 28 | 34% | 0.34 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 78.1 | -171.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1669 Q1670 | G1667-N1669 PolarHBondContact O-N 3.29Å; G1667-N1669 VanDerWaalsContact O-N 3.11Å; G1667-Q1670 WeakPolarHBondContact O-CB 3.46Å; G1667-Q1670 PolarHBondContact O-N 2.95Å; G1667-Q1670 VanDerWaalsContact O-N 3.1Å |
| 1668 | P | 80.2 | Confident | 90.3 | Very high | 23 Ų | 23 | 28.3 Ų | 28.3 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.4 | -173.1 | 29.5 | -39.2 | 0 | 0 | 0 | 113.7 | I1454 Y1473 Y1478 F1787 | I1454-P1668 HydrophobicContact CG2-CB 4.39Å; I1454-P1668 HydrophobicContact CG2-CG 3.92Å; Y1473-P1668 HydrophobicContact CE2-CB 4.41Å; Y1473-P1668 HydrophobicContact CE2-CG 4.11Å; Y1478-P1668 HydrophobicContact CD2-CG 4.34Å; Y1478-P1668 HydrophobicContact CE2-CG 4.32Å; P1668-F1787 VanDerWaalsContact O-CE1 3.23Å; P1668-F1787 WeakPolarHBondContact O-CE1 3.45Å |
| 1669 | N | 86.4 | Confident | 90.4 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 19.3 | 179.1 | -65.7 | -47.7 | 0 | 0 | 0 | 112.8 | K1459 Y1473 C1664 G1667 W1671 | K1459-N1669 WeakPolarHBondContact CD-OD1 3.32Å; K1459-N1669 WeakPolarHBondContact CE-OD1 3.48Å; K1459-N1669 PolarHBondContact NZ-OD1 2.8Å; Y1473-N1669 PolarHBondContact OH-ND2 2.95Å; Y1473-N1669 PolarHBondContact OH-OD1 2.79Å; C1664-N1669 HydrophobicContact CB-CB 4.17Å; C1664-N1669 WeakPolarHBondContact CB-O 3.23Å; G1667-N1669 PolarHBondContact O-N 3.29Å; G1667-N1669 VanDerWaalsContact O-N 3.11Å; N1669-W1671 PolarHBondContact O-N 2.8Å |
| 1670 | Q | 89.5 | Confident | 90.3 | Very high | 71 Ų | 71 | 32.6 Ų | 32.6 | 33% | 0.332 | 18% | 0.178 | S | C | . | . | B | Isolated β-bridge | trans | -55.8 | 133.8 | -178.6 | -176.8 | 172.4 | 9.4 | 0 | 0 | 111.6 | V1665 G1667 R1672 P1785 | V1665-Q1670 PolarHBondContact O-NE2 2.82Å; G1667-Q1670 WeakPolarHBondContact O-CB 3.46Å; G1667-Q1670 PolarHBondContact O-N 2.95Å; G1667-Q1670 VanDerWaalsContact O-N 3.1Å; Q1670-R1672 WeakPolarHBondContact O-CG 3.46Å; Q1670-R1672 PolarHBondContact O-N 2.78Å; Q1670-P1785 VanDerWaalsContact CD-CG 3.5Å; Q1670-P1785 HydrophobicContact CG-CG 4.21Å |
| 1671 | W | 92.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | trans | -57.9 | 127.6 | 176.9 | -173.8 | -100.8 | 0 | 0 | 0 | 112.2 | L1659 P1660 Y1663 C1664 N1669 D1673 K1675 P1677 I1680 L1738 | L1659-W1671 HydrophobicContact CD2-CH2 4.06Å; P1660-W1671 HydrophobicContact CG-CE3 3.78Å; P1660-W1671 HydrophobicContact CG-CZ3 3.73Å; Y1663-W1671 HydrophobicContact CD2-CB 4.15Å; Y1663-W1671 AromaticContact CD2-CD2 3.75Å; Y1663-W1671 HydrophobicContact CD2-CD2 3.75Å; Y1663-W1671 AromaticContact CD2-CE3 3.59Å; Y1663-W1671 HydrophobicContact CD2-CE3 3.59Å; Y1663-W1671 HydrophobicContact CD2-CG 4.02Å; Y1663-W1671 HydrophobicContact CD2-CZ3 4.24Å; Y1663-W1671 HydrophobicContact CE2-CB 3.72Å; Y1663-W1671 AromaticContact CE2-CD2 3.6Å; Y1663-W1671 HydrophobicContact CE2-CD2 3.6Å; Y1663-W1671 AromaticContact CE2-CE3 3.98Å; Y1663-W1671 HydrophobicContact CE2-CE3 3.98Å; Y1663-W1671 AromaticContact CE2-CG 3.49Å; Y1663-W1671 HydrophobicContact CE2-CG 3.49Å; Y1663-W1671 VanDerWaalsContact CE2-CG 3.49Å; C1664-W1671 PolarHBondContact O-N 3.09Å; N1669-W1671 PolarHBondContact O-N 2.8Å; W1671-D1673 HydrophobicContact CD2-CB 4.43Å; W1671-D1673 VanDerWaalsContact CE2-CB 3.48Å; W1671-D1673 HydrophobicContact CH2-CB 4.47Å; W1671-D1673 HydrophobicContact CZ2-CB 3.5Å; W1671-D1673 VanDerWaalsContact CZ2-CB 3.5Å; W1671-D1673 PolarHBondContact NE1-O 3.3Å; W1671-K1675 WeakPolarHBondContact CZ2-O 3.22Å; W1671-K1675 PolarHBondContact NE1-O 3.05Å; W1671-P1677 HydrophobicContact CD2-CG 4.49Å; W1671-P1677 HydrophobicContact CE3-CG 4.39Å; W1671-P1677 HydrophobicContact CH2-CG 3.8Å; W1671-P1677 HydrophobicContact CZ2-CG 3.89Å; W1671-P1677 HydrophobicContact CZ3-CG 4.04Å; W1671-I1680 HydrophobicContact CH2-CD1 3.86Å; W1671-I1680 HydrophobicContact CZ2-CD1 3.48Å; W1671-I1680 VanDerWaalsContact CZ2-CD1 3.48Å; W1671-L1738 HydrophobicContact CH2-CD1 4.09Å; W1671-L1738 HydrophobicContact CZ3-CD1 3.76Å; W1671-L1738 HydrophobicContact CZ3-CD2 4.02Å; W1671-L1738 HydrophobicContact CZ3-CG 4.48Å | ||
| 1672 | R | 91.5 | Very high | 90.5 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 5% | 0.045 | 18% | 0.175 | C | C | . | . | trans | -105.3 | -17.1 | -175.2 | -53.8 | -166.8 | -52.3 | -75 | 5.3 | 114.4 | Q1670 E1749 D1774 G1784 F1787 | Q1670-R1672 WeakPolarHBondContact O-CG 3.46Å; Q1670-R1672 PolarHBondContact O-N 2.78Å; R1672-E1749 IonicContact NH1-OE1 3.73Å; R1672-E1749 PolarHBondContact NH1-OE1 3.45Å; R1672-E1749 VanDerWaalsContact NH1-OE1 3.13Å; R1672-D1774 IonicContact CZ-OD2 3.47Å; R1672-D1774 IonicContact NE-OD2 3.84Å; R1672-D1774 PolarHBondContact NE-OD2 2.93Å; R1672-D1774 IonicContact NH2-OD1 2.78Å; R1672-D1774 PolarHBondContact NH2-OD1 3.24Å; R1672-D1774 IonicContact NH2-OD2 2.67Å; R1672-D1774 PolarHBondContact NH2-OD2 2.56Å; R1672-D1774 VanDerWaalsContact NH2-OD2 3.11Å; R1672-G1784 WeakPolarHBondContact O-CA 3.45Å; R1672-G1784 PolarHBondContact O-N 3.17Å; R1672-F1787 HydrophobicContact CG-CE1 4.31Å; R1672-F1787 HydrophobicContact CG-CZ 4.34Å | ||
| 1673 | D | 92.2 | Very high | 90.4 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | trans | -72.1 | 146.5 | -172.3 | -151 | -68 | 0 | 0 | 0 | 112 | R1654 C1657 W1671 K1675 | R1654-D1673 IonicContact CZ-OD2 2.79Å; R1654-D1673 IonicContact NH1-OD2 3.57Å; R1654-D1673 PolarHBondContact NH1-OD2 2.92Å; R1654-D1673 VanDerWaalsContact NH2-CG 3.26Å; R1654-D1673 IonicContact NH2-OD1 3.13Å; R1654-D1673 PolarHBondContact NH2-OD1 3.37Å; R1654-D1673 IonicContact NH2-OD2 2.8Å; R1654-D1673 PolarHBondContact NH2-OD2 2.83Å; C1657-D1673 WeakPolarHBondContact CB-OD2 3.26Å; W1671-D1673 HydrophobicContact CD2-CB 4.43Å; W1671-D1673 VanDerWaalsContact CE2-CB 3.48Å; W1671-D1673 HydrophobicContact CH2-CB 4.47Å; W1671-D1673 HydrophobicContact CZ2-CB 3.5Å; W1671-D1673 VanDerWaalsContact CZ2-CB 3.5Å; W1671-D1673 PolarHBondContact NE1-O 3.3Å; D1673-K1675 PolarHBondContact O-N 3.07Å; D1673-K1675 PolarHBondContact OD1-N 2.78Å | ||
| 1674 | S | 90.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 33 Ų | 33 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -66.4 | -24.4 | 173.6 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | P1783 | S1674-P1783 VanDerWaalsContact OG-CA 3.29Å; S1674-P1783 WeakPolarHBondContact OG-CA 3.2Å |
| 1675 | K | 92.1 | Very high | 89.8 | Confident | 66 Ų | 66 | 33 Ų | 33 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -102.5 | 146.7 | 177.8 | -69.3 | -172.6 | 177 | -177.5 | 0 | 111.9 | W1671 D1673 E1679 I1680 L1780 | W1671-K1675 WeakPolarHBondContact CZ2-O 3.22Å; W1671-K1675 PolarHBondContact NE1-O 3.05Å; D1673-K1675 PolarHBondContact O-N 3.07Å; D1673-K1675 PolarHBondContact OD1-N 2.78Å; K1675-E1679 WeakPolarHBondContact CA-OE2 3.29Å; K1675-E1679 HydrophobicContact CB-CB 4.27Å; K1675-I1680 HydrophobicContact CB-CD1 4.26Å; K1675-I1680 HydrophobicContact CB-CG1 3.75Å; K1675-L1780 HydrophobicContact CD-CD1 4.4Å; K1675-L1780 HydrophobicContact CG-CD1 4.36Å |
| 1676 | L | 93.8 | Very high | 89.4 | Confident | 68 Ų | 68 | 34.3 Ų | 34.3 | 36% | 0.356 | 19% | 0.193 | S | C | . | . | trans | -71.8 | 152.1 | 169.3 | -66 | 173.4 | 0 | 0 | 0 | 110.9 | Y1663 S1678 E1679 I1680 | Y1663-L1676 WeakPolarHBondContact OH-CD2 3.28Å; L1676-S1678 PolarHBondContact O-N 3.02Å; L1676-S1678 VanDerWaalsContact O-N 3.15Å; L1676-E1679 HydrophobicContact CB-CG 4.16Å; L1676-E1679 PolarHBondContact N-OE2 3.33Å; L1676-E1679 WeakPolarHBondContact O-CB 3.38Å; L1676-E1679 PolarHBondContact O-N 2.67Å; L1676-I1680 WeakPolarHBondContact O-CG1 3.33Å; L1676-I1680 PolarHBondContact O-N 3.46Å | ||
| 1677 | P | 95.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -50.2 | -39.2 | 176.1 | -30.7 | 36.2 | 0 | 0 | 0 | 114.7 | Y1663 W1671 I1680 L1681 E1734 A1737 L1738 L1741 | Y1663-P1677 HydrophobicContact CD2-CG 3.4Å; Y1663-P1677 HydrophobicContact CE2-CG 3.62Å; Y1663-P1677 HydrophobicContact CG-CG 4.08Å; W1671-P1677 HydrophobicContact CD2-CG 4.49Å; W1671-P1677 HydrophobicContact CE3-CG 4.39Å; W1671-P1677 HydrophobicContact CH2-CG 3.8Å; W1671-P1677 HydrophobicContact CZ2-CG 3.89Å; W1671-P1677 HydrophobicContact CZ3-CG 4.04Å; P1677-I1680 PolarHBondContact O-N 2.81Å; P1677-L1681 WeakPolarHBondContact O-CB 3.36Å; P1677-L1681 PolarHBondContact O-N 3.42Å; P1677-E1734 HydrophobicContact CB-CB 4.4Å; P1677-E1734 WeakPolarHBondContact CB-O 3.49Å; P1677-E1734 HydrophobicContact CG-CB 4.12Å; P1677-A1737 HydrophobicContact CB-CB 3.86Å; P1677-L1738 HydrophobicContact CB-CB 4.03Å; P1677-L1738 HydrophobicContact CG-CB 4.23Å; P1677-L1741 HydrophobicContact CB-CD1 4.45Å; P1677-L1741 WeakPolarHBondContact O-CD1 3.3Å |
| 1678 | S | 95.1 | Very high | 88.5 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.8 | -31.8 | 177.5 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | L1676 L1682 Y1695 K1733 E1734 | L1676-S1678 PolarHBondContact O-N 3.02Å; L1676-S1678 VanDerWaalsContact O-N 3.15Å; S1678-L1682 WeakPolarHBondContact O-CB 3.49Å; S1678-L1682 PolarHBondContact O-N 2.8Å; S1678-Y1695 VanDerWaalsContact CB-OH 3.24Å; S1678-Y1695 WeakPolarHBondContact CB-OH 3.29Å; S1678-K1733 PolarHBondContact OG-NZ 3.14Å; S1678-K1733 VanDerWaalsContact OG-NZ 3.17Å; S1678-E1734 WeakPolarHBondContact CB-OE2 3.47Å; S1678-E1734 PolarHBondContact N-OE2 3.4Å; S1678-E1734 VanDerWaalsContact OG-CD 3.22Å; S1678-E1734 PolarHBondContact OG-OE1 3.45Å; S1678-E1734 PolarHBondContact OG-OE2 2.87Å |
| 1679 | E | 94.2 | Very high | 88.1 | Confident | 93 Ų | 93 | 37.3 Ų | 37.3 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -73 | -35.9 | 174.6 | -61 | 173.3 | 149.5 | 0 | 0 | 111.2 | K1675 L1676 L1682 A1683 | K1675-E1679 WeakPolarHBondContact CA-OE2 3.29Å; K1675-E1679 HydrophobicContact CB-CB 4.27Å; L1676-E1679 HydrophobicContact CB-CG 4.16Å; L1676-E1679 PolarHBondContact N-OE2 3.33Å; L1676-E1679 WeakPolarHBondContact O-CB 3.38Å; L1676-E1679 PolarHBondContact O-N 2.67Å; E1679-L1682 PolarHBondContact O-N 2.65Å; E1679-A1683 WeakPolarHBondContact O-CB 3.19Å; E1679-A1683 PolarHBondContact O-N 3.27Å |
| 1680 | I | 93.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -46.6 | 173.1 | -63.5 | 161.8 | 0 | 0 | 0 | 109.8 | W1671 K1675 L1676 P1677 L1682 A1683 V1684 L1741 | W1671-I1680 HydrophobicContact CH2-CD1 3.86Å; W1671-I1680 HydrophobicContact CZ2-CD1 3.48Å; W1671-I1680 VanDerWaalsContact CZ2-CD1 3.48Å; K1675-I1680 HydrophobicContact CB-CD1 4.26Å; K1675-I1680 HydrophobicContact CB-CG1 3.75Å; L1676-I1680 WeakPolarHBondContact O-CG1 3.33Å; L1676-I1680 PolarHBondContact O-N 3.46Å; P1677-I1680 PolarHBondContact O-N 2.81Å; I1680-L1682 VanDerWaalsContact C-N 3.27Å; I1680-L1682 PolarHBondContact O-N 2.88Å; I1680-A1683 PolarHBondContact O-N 3.28Å; I1680-A1683 VanDerWaalsContact O-N 3.16Å; I1680-V1684 HydrophobicContact CG2-CG2 4.18Å; I1680-V1684 WeakPolarHBondContact O-CB 3.41Å; I1680-V1684 VanDerWaalsContact O-CG2 3.28Å; I1680-V1684 WeakPolarHBondContact O-CG2 3.17Å; I1680-V1684 PolarHBondContact O-N 2.7Å; I1680-L1741 HydrophobicContact CB-CD1 3.9Å; I1680-L1741 HydrophobicContact CG2-CD1 3.7Å; I1680-L1741 HydrophobicContact CG2-CD2 3.89Å; I1680-L1741 HydrophobicContact CG2-CG 4.48Å |
| 1681 | L | 93.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -39.3 | 177.7 | -175.9 | 62.3 | 0 | 0 | 0 | 111.7 | P1677 V1684 C1685 P1693 V1709 A1737 I1740 L1741 | P1677-L1681 WeakPolarHBondContact O-CB 3.36Å; P1677-L1681 PolarHBondContact O-N 3.42Å; L1681-V1684 PolarHBondContact O-N 2.93Å; L1681-C1685 PolarHBondContact O-N 3.21Å; L1681-C1685 PolarHBondContact O-SG 2.83Å; L1681-P1693 HydrophobicContact CB-CG 4.45Å; L1681-P1693 HydrophobicContact CD2-CB 4.14Å; L1681-P1693 HydrophobicContact CD2-CG 4.01Å; L1681-P1693 HydrophobicContact CG-CB 4.42Å; L1681-P1693 HydrophobicContact CG-CG 3.74Å; L1681-V1709 HydrophobicContact CD2-CG2 4.15Å; L1681-A1737 HydrophobicContact CD2-CB 4.22Å; L1681-I1740 HydrophobicContact CD1-CB 4.46Å; L1681-I1740 HydrophobicContact CD1-CG2 3.79Å; L1681-I1740 HydrophobicContact CD2-CB 4.38Å; L1681-I1740 HydrophobicContact CD2-CD1 4.05Å; L1681-I1740 HydrophobicContact CD2-CG2 4.28Å; L1681-L1741 HydrophobicContact CB-CD1 4.48Å; L1681-L1741 HydrophobicContact CB-CD2 4.19Å; L1681-L1741 HydrophobicContact CB-CG 4.28Å; L1681-L1741 HydrophobicContact CD1-CD2 3.95Å; L1681-L1741 HydrophobicContact CD1-CG 4.26Å |
| 1682 | L | 92.5 | Very high | 86.9 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 38% | 0.382 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.3 | -51.1 | 172.3 | 179.1 | 64.6 | 0 | 0 | 0 | 111.5 | S1678 E1679 I1680 V1684 C1685 D1686 A1692 | S1678-L1682 WeakPolarHBondContact O-CB 3.49Å; S1678-L1682 PolarHBondContact O-N 2.8Å; E1679-L1682 PolarHBondContact O-N 2.65Å; I1680-L1682 VanDerWaalsContact C-N 3.27Å; I1680-L1682 PolarHBondContact O-N 2.88Å; L1682-V1684 VanDerWaalsContact C-N 3.3Å; L1682-V1684 PolarHBondContact O-N 2.73Å; L1682-C1685 WeakPolarHBondContact O-CB 3.49Å; L1682-C1685 PolarHBondContact O-N 2.7Å; L1682-C1685 VanDerWaalsContact O-N 3.13Å; L1682-D1686 PolarHBondContact O-N 2.89Å; L1682-A1692 HydrophobicContact CD1-CB 3.62Å |
| 1683 | A | 87.4 | Confident | 86.8 | Confident | 37 Ų | 37 | 40.8 Ų | 40.8 | 31% | 0.306 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -36 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1679 I1680 D1686 S1687 | E1679-A1683 WeakPolarHBondContact O-CB 3.19Å; E1679-A1683 PolarHBondContact O-N 3.27Å; I1680-A1683 PolarHBondContact O-N 3.28Å; I1680-A1683 VanDerWaalsContact O-N 3.16Å; A1683-D1686 PolarHBondContact O-N 3.24Å; A1683-S1687 WeakPolarHBondContact O-CB 3.1Å; A1683-S1687 PolarHBondContact O-N 3.29Å; A1683-S1687 PolarHBondContact O-OG 3.48Å |
| 1684 | V | 86.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 173 | 169.5 | 0 | 0 | 0 | 0 | 109.4 | I1680 L1681 L1682 D1686 S1687 Y1688 L1741 L1744 L1746 | I1680-V1684 HydrophobicContact CG2-CG2 4.18Å; I1680-V1684 WeakPolarHBondContact O-CB 3.41Å; I1680-V1684 VanDerWaalsContact O-CG2 3.28Å; I1680-V1684 WeakPolarHBondContact O-CG2 3.17Å; I1680-V1684 PolarHBondContact O-N 2.7Å; L1681-V1684 PolarHBondContact O-N 2.93Å; L1682-V1684 VanDerWaalsContact C-N 3.3Å; L1682-V1684 PolarHBondContact O-N 2.73Å; V1684-D1686 VanDerWaalsContact C-N 3.3Å; V1684-D1686 PolarHBondContact O-N 3.02Å; V1684-S1687 WeakPolarHBondContact CA-OG 3.44Å; V1684-S1687 PolarHBondContact O-N 3.49Å; V1684-S1687 VanDerWaalsContact O-N 3.13Å; V1684-S1687 PolarHBondContact O-OG 3.26Å; V1684-Y1688 HydrophobicContact CG1-CD2 3.7Å; V1684-Y1688 HydrophobicContact CG1-CE2 3.83Å; V1684-Y1688 VanDerWaalsContact O-CD2 3.25Å; V1684-Y1688 WeakPolarHBondContact O-CD2 3.18Å; V1684-Y1688 PolarHBondContact O-N 2.74Å; V1684-L1741 HydrophobicContact CB-CD2 4.43Å; V1684-L1741 HydrophobicContact CG2-CD2 3.99Å; V1684-L1744 HydrophobicContact CG1-CD1 3.78Å; V1684-L1746 HydrophobicContact CG2-CD1 4.23Å |
| 1685 | C | 83.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 175.6 | -66.4 | 0 | 0 | 0 | 0 | 111.9 | L1681 L1682 S1687 Y1688 S1689 L1690 V1709 | L1681-C1685 PolarHBondContact O-N 3.21Å; L1681-C1685 PolarHBondContact O-SG 2.83Å; L1682-C1685 WeakPolarHBondContact O-CB 3.49Å; L1682-C1685 PolarHBondContact O-N 2.7Å; L1682-C1685 VanDerWaalsContact O-N 3.13Å; C1685-S1687 VanDerWaalsContact C-N 3.35Å; C1685-S1687 PolarHBondContact O-N 3.49Å; C1685-Y1688 CarbonylContact O-C 3.53Å; C1685-Y1688 PolarHBondContact O-N 3.01Å; C1685-S1689 PolarHBondContact O-N 2.73Å; C1685-L1690 HydrophobicContact CB-CB 4.03Å; C1685-L1690 PolarHBondContact O-N 3.44Å; C1685-V1709 WeakPolarHBondContact SG-CG1 3.44Å |
| 1686 | D | 80.2 | Confident | 86 | Confident | 98 Ų | 98 | 46.2 Ų | 46.2 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 177 | -67.3 | -23.1 | 0 | 0 | 0 | 111.6 | L1682 A1683 V1684 Y1688 S1689 | L1682-D1686 PolarHBondContact O-N 2.89Å; A1683-D1686 PolarHBondContact O-N 3.24Å; V1684-D1686 VanDerWaalsContact C-N 3.3Å; V1684-D1686 PolarHBondContact O-N 3.02Å; D1686-Y1688 VanDerWaalsContact C-N 3.32Å; D1686-Y1688 PolarHBondContact O-N 2.82Å; D1686-S1689 PolarHBondContact O-N 3.06Å; D1686-S1689 VanDerWaalsContact O-N 3.08Å |
| 1687 | S | 75.9 | Confident | 84.9 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 178.3 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | A1683 V1684 C1685 S1689 | A1683-S1687 WeakPolarHBondContact O-CB 3.1Å; A1683-S1687 PolarHBondContact O-N 3.29Å; A1683-S1687 PolarHBondContact O-OG 3.48Å; V1684-S1687 WeakPolarHBondContact CA-OG 3.44Å; V1684-S1687 PolarHBondContact O-N 3.49Å; V1684-S1687 VanDerWaalsContact O-N 3.13Å; V1684-S1687 PolarHBondContact O-OG 3.26Å; C1685-S1687 VanDerWaalsContact C-N 3.35Å; C1685-S1687 PolarHBondContact O-N 3.49Å; S1687-S1689 VanDerWaalsContact C-N 3.33Å |
| 1688 | Y | 73.3 | Confident | 83.4 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 8.3 | 174.7 | -73 | -79.8 | 0 | 0 | 0 | 113.2 | M1406 L1411 V1684 C1685 D1686 L1690 | M1406-Y1688 HydrophobicContact SD-CE1 4.45Å; L1411-Y1688 HydrophobicContact CD1-CD1 4.37Å; L1411-Y1688 HydrophobicContact CD1-CE1 4.44Å; L1411-Y1688 HydrophobicContact CD2-CE1 4.14Å; V1684-Y1688 HydrophobicContact CG1-CD2 3.7Å; V1684-Y1688 HydrophobicContact CG1-CE2 3.83Å; V1684-Y1688 VanDerWaalsContact O-CD2 3.25Å; V1684-Y1688 WeakPolarHBondContact O-CD2 3.18Å; V1684-Y1688 PolarHBondContact O-N 2.74Å; C1685-Y1688 CarbonylContact O-C 3.53Å; C1685-Y1688 PolarHBondContact O-N 3.01Å; D1686-Y1688 VanDerWaalsContact C-N 3.32Å; D1686-Y1688 PolarHBondContact O-N 2.82Å; Y1688-L1690 PolarHBondContact O-N 2.87Å |
| 1689 | S | 70.4 | Confident | 82 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 33.3 | -176.8 | -57.4 | 0 | 0 | 0 | 0 | 114.2 | C1685 D1686 S1687 | C1685-S1689 PolarHBondContact O-N 2.73Å; D1686-S1689 PolarHBondContact O-N 3.06Å; D1686-S1689 VanDerWaalsContact O-N 3.08Å; S1687-S1689 VanDerWaalsContact C-N 3.33Å |
| 1690 | L | 76.7 | Confident | 80.4 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 150.9 | 175.6 | -61.5 | 175.3 | 0 | 0 | 0 | 110.8 | I1408 C1685 Y1688 | I1408-L1690 HydrophobicContact CD1-CD1 4.06Å; I1408-L1690 HydrophobicContact CG1-CD1 4.05Å; C1685-L1690 HydrophobicContact CB-CB 4.03Å; C1685-L1690 PolarHBondContact O-N 3.44Å; Y1688-L1690 PolarHBondContact O-N 2.87Å |
| 1691 | P | 80.5 | Confident | 78.8 | Confident | 78 Ų | 78 | 67.8 Ų | 67.8 | 51% | 0.506 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 145 | 171.2 | -22.9 | 33 | 0 | 0 | 0 | 112.2 | ||
| 1692 | A | 86.2 | Confident | 77.2 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 45% | 0.446 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 139.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1682 Q1694 | L1682-A1692 HydrophobicContact CD1-CB 3.62Å; A1692-Q1694 PolarHBondContact O-N 3.44Å |
| 1693 | P | 90.5 | Very high | 76 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 13% | 0.13 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 130.7 | -179.2 | -24.4 | 32.5 | 0 | 0 | 0 | 112.9 | L1681 Y1695 V1709 | L1681-P1693 HydrophobicContact CB-CG 4.45Å; L1681-P1693 HydrophobicContact CD2-CB 4.14Å; L1681-P1693 HydrophobicContact CD2-CG 4.01Å; L1681-P1693 HydrophobicContact CG-CB 4.42Å; L1681-P1693 HydrophobicContact CG-CG 3.74Å; P1693-Y1695 HydrophobicContact CB-CE2 4.02Å; P1693-V1709 HydrophobicContact CB-CG2 4.23Å |
| 1694 | Q | 89 | Confident | 75.3 | Confident | 121 Ų | 121 | 76.6 Ų | 76.6 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 104 | 179.9 | -62.4 | 174.8 | 3 | 0 | 0 | 110.3 | A1692 C1707 R1708 | A1692-Q1694 PolarHBondContact O-N 3.44Å; Q1694-C1707 CarbonylContact O-C 3.55Å; Q1694-C1707 WeakPolarHBondContact O-CA 3.27Å; Q1694-R1708 HydrophobicContact CB-CB 4.28Å; Q1694-R1708 PolarHBondContact N-O 2.86Å; Q1694-R1708 PolarHBondContact O-N 3.2Å |
| 1695 | Y | 87.8 | Confident | 75.1 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 28% | 0.278 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.5 | 175.5 | -64.7 | -87.7 | 0 | 0 | 0 | 110.7 | S1678 P1693 S1706 C1707 K1733 A1737 | S1678-Y1695 VanDerWaalsContact CB-OH 3.24Å; S1678-Y1695 WeakPolarHBondContact CB-OH 3.29Å; P1693-Y1695 HydrophobicContact CB-CE2 4.02Å; Y1695-S1706 WeakPolarHBondContact CA-O 3.45Å; Y1695-C1707 HydrophobicContact CD1-CB 3.72Å; Y1695-C1707 HydrophobicContact CE1-CB 3.77Å; Y1695-C1707 VanDerWaalsContact CE1-SG 3.58Å; Y1695-C1707 HydrophobicContact CG-CB 4.47Å; Y1695-K1733 HydrophobicContact CD1-CG 3.86Å; Y1695-K1733 HydrophobicContact CE1-CG 3.82Å; Y1695-K1733 HydrophobicContact CG-CG 4.39Å; Y1695-A1737 WeakPolarHBondContact OH-CB 3.43Å |
| 1696 | G | 80.5 | Confident | 75.4 | Confident | 33 Ų | 33 | 78.4 Ų | 78.4 | 34% | 0.34 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -74 | 144.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1698 S1706 | G1696-T1698 PolarHBondContact O-N 2.87Å; G1696-S1706 PolarHBondContact N-O 3.31Å |
| 1697 | E | 71.1 | Confident | 75.9 | Confident | 173 Ų | 173 | 73.7 Ų | 73.7 | 81% | 0.808 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 127.7 | 172.2 | -74.6 | -177.7 | 172.5 | 0 | 0 | 111.1 | T1699 | E1697-T1699 PolarHBondContact O-N 2.96Š|
| 1698 | T | 63.7 | Low | 76.4 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 55% | 0.546 | 42% | 0.421 | S | S | . | . | trans | -81.3 | 114.3 | 174.6 | -20.2 | 0 | 0 | 0 | 0 | 108.3 | G1696 P1703 | G1696-T1698 PolarHBondContact O-N 2.87Å; T1698-P1703 VanDerWaalsContact CG2-O 3.25Å; T1698-P1703 WeakPolarHBondContact CG2-O 3.5Å | ||
| 1699 | T | 66.2 | Low | 76.9 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 38% | 0.38 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -122.3 | 164.6 | 178.8 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | E1697 S1701 K1702 | E1697-T1699 PolarHBondContact O-N 2.96Å; T1699-S1701 PolarHBondContact O-N 2.74Å; T1699-S1701 PolarHBondContact OG1-OG 3.35Å; T1699-K1702 PolarHBondContact N-O 3.46Å; T1699-K1702 CarbonylContact O-C 3.55Å; T1699-K1702 PolarHBondContact O-N 3.04Å; T1699-K1702 VanDerWaalsContact O-O 3.05Å; T1699-K1702 PolarHBondContact OG1-N 2.97Å |
| 1700 | E | 60.1 | Low | 77.1 | Confident | 205 Ų | 205 | 73.5 Ų | 73.5 | 96% | 0.958 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.1 | 173.4 | -71.8 | -174.4 | 162.7 | 0 | 0 | 112.6 | ||
| 1701 | S | 59.8 | Low | 77.1 | Confident | 102 Ų | 102 | 79.8 Ų | 79.8 | 71% | 0.713 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -22.2 | 176.6 | 74.1 | 0 | 0 | 0 | 0 | 114.7 | T1699 | T1699-S1701 PolarHBondContact O-N 2.74Å; T1699-S1701 PolarHBondContact OG1-OG 3.35Å |
| 1702 | K | 59.1 | Low | 77 | Confident | 144 Ų | 144 | 80.4 Ų | 80.4 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | B | Isolated β-bridge | trans | -136.6 | 80 | 178.3 | -74 | -175.3 | -179.3 | 177 | 0 | 108.9 | T1699 N1704 | T1699-K1702 PolarHBondContact N-O 3.46Å; T1699-K1702 CarbonylContact O-C 3.55Å; T1699-K1702 PolarHBondContact O-N 3.04Å; T1699-K1702 VanDerWaalsContact O-O 3.05Å; T1699-K1702 PolarHBondContact OG1-N 2.97Å; K1702-N1704 PolarHBondContact O-N 2.89Å |
| 1703 | P | 66.8 | Low | 77 | Confident | 91 Ų | 91 | 81.4 Ų | 81.4 | 59% | 0.591 | 43% | 0.427 | S | S | * | . | trans | -69.4 | -19.1 | -174.6 | 27 | -34.6 | 0 | 0 | 0 | 113.3 | T1698 | T1698-P1703 VanDerWaalsContact CG2-O 3.25Å; T1698-P1703 WeakPolarHBondContact CG2-O 3.5Å | ||
| 1704 | N | 72.9 | Confident | 76.9 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 33% | 0.326 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -91.3 | 124.8 | -176.6 | -65.3 | -23 | 0 | 0 | 0 | 111.4 | K1702 S1706 V1715 E1717 | K1702-N1704 PolarHBondContact O-N 2.89Å; N1704-S1706 PolarHBondContact O-N 3.2Å; N1704-V1715 HydrophobicContact CB-CG1 3.9Å; N1704-E1717 PolarHBondContact ND2-OE2 3.07Å |
| 1705 | P | 83.3 | Confident | 76.9 | Confident | 19 Ų | 19 | 77 Ų | 77 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | trans | -57.9 | 136.1 | 170.5 | -17.9 | 27.8 | 0 | 0 | 0 | 111 | L1716 P1732 L1736 | P1705-L1716 HydrophobicContact CB-CD2 4.5Å; P1705-L1716 HydrophobicContact CG-CD2 3.89Å; P1705-L1716 PolarHBondContact O-N 3.45Å; P1705-L1716 VanDerWaalsContact O-N 3.11Å; P1705-P1732 HydrophobicContact CG-CB 3.49Å; P1705-P1732 VanDerWaalsContact CG-CB 3.49Å; P1705-L1736 HydrophobicContact CB-CD2 4.27Å | ||
| 1706 | S | 88.9 | Confident | 76.9 | Confident | 33 Ų | 33 | 74 Ų | 74 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.7 | 173.1 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | Y1695 G1696 N1704 F1714 | Y1695-S1706 WeakPolarHBondContact CA-O 3.45Å; G1696-S1706 PolarHBondContact N-O 3.31Å; N1704-S1706 PolarHBondContact O-N 3.2Å; S1706-F1714 CarbonylContact C-O 3.46Å; S1706-F1714 WeakPolarHBondContact CA-O 3.42Å; S1706-F1714 WeakPolarHBondContact CB-O 3.37Å |
| 1707 | C | 91.2 | Very high | 77.1 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 127.7 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | Q1694 Y1695 F1714 L1736 I1740 | Q1694-C1707 CarbonylContact O-C 3.55Å; Q1694-C1707 WeakPolarHBondContact O-CA 3.27Å; Y1695-C1707 HydrophobicContact CD1-CB 3.72Å; Y1695-C1707 HydrophobicContact CE1-CB 3.77Å; Y1695-C1707 VanDerWaalsContact CE1-SG 3.58Å; Y1695-C1707 HydrophobicContact CG-CB 4.47Å; C1707-F1714 PolarHBondContact N-O 2.82Å; C1707-F1714 PolarHBondContact O-N 2.71Å; C1707-L1736 HydrophobicContact CB-CD2 3.66Å; C1707-L1736 HydrophobicContact CB-CG 4.17Å; C1707-I1740 HydrophobicContact CB-CD1 3.86Å |
| 1708 | R | 86.5 | Confident | 77.7 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.5 | 173.4 | -175.7 | -178.6 | -127.5 | 163.2 | 0.5 | 109.8 | Q1694 R1712 V1713 | Q1694-R1708 HydrophobicContact CB-CB 4.28Å; Q1694-R1708 PolarHBondContact N-O 2.86Å; Q1694-R1708 PolarHBondContact O-N 3.2Å; R1708-R1712 WeakPolarHBondContact CA-O 3.4Å; R1708-V1713 HydrophobicContact CB-CG2 4.13Å; R1708-V1713 HydrophobicContact CG-CG2 4.05Å |
| 1709 | V | 83 | Confident | 78.8 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 122.1 | 174.2 | -162.2 | 0 | 0 | 0 | 0 | 107.9 | I1408 L1681 C1685 P1693 Q1711 R1712 F1714 I1740 | I1408-V1709 HydrophobicContact CD1-CB 3.47Å; I1408-V1709 VanDerWaalsContact CD1-CB 3.47Å; I1408-V1709 HydrophobicContact CD1-CG1 3.17Å; L1681-V1709 HydrophobicContact CD2-CG2 4.15Å; C1685-V1709 WeakPolarHBondContact SG-CG1 3.44Å; P1693-V1709 HydrophobicContact CB-CG2 4.23Å; V1709-Q1711 PolarHBondContact O-N 3.45Å; V1709-R1712 PolarHBondContact N-O 2.84Å; V1709-R1712 PolarHBondContact O-N 2.89Å; V1709-F1714 HydrophobicContact CB-CE2 4.39Å; V1709-F1714 HydrophobicContact CG2-CD2 4.44Å; V1709-F1714 HydrophobicContact CG2-CE2 4.48Å; V1709-I1740 HydrophobicContact CG2-CD1 4.32Å; V1709-I1740 HydrophobicContact CG2-CG2 4.43Å |
| 1710 | G | 76.4 | Confident | 79.7 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -130.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1711 | Q | 74.8 | Confident | 80.7 | Confident | 163 Ų | 163 | 73.2 Ų | 73.2 | 76% | 0.762 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -11.2 | 176.6 | -60.4 | -156.2 | 5.7 | 0 | 0 | 113.8 | V1709 | V1709-Q1711 PolarHBondContact O-N 3.45Š|
| 1712 | R | 80 | Confident | 81.4 | Confident | 91 Ų | 91 | 71.5 Ų | 71.5 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 138.9 | -172.2 | -165.4 | 164.2 | 178.1 | 179.1 | -1.3 | 112.3 | I1408 T1412 R1708 V1709 F1714 | I1408-R1712 HydrophobicContact CG2-CB 4.49Å; T1412-R1712 PolarHBondContact OG1-NH1 3.3Å; T1412-R1712 VanDerWaalsContact OG1-NH1 3.13Å; R1708-R1712 WeakPolarHBondContact CA-O 3.4Å; V1709-R1712 PolarHBondContact N-O 2.84Å; V1709-R1712 PolarHBondContact O-N 2.89Å; R1712-F1714 HydrophobicContact CB-CE2 4.04Å; R1712-F1714 HydrophobicContact CB-CZ 4.27Å; R1712-F1714 HydrophobicContact CG-CD2 4.46Å; R1712-F1714 HydrophobicContact CG-CE1 4.21Å; R1712-F1714 HydrophobicContact CG-CE2 3.98Å; R1712-F1714 HydrophobicContact CG-CZ 3.86Å |
| 1713 | V | 84.8 | Confident | 82.4 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.7 | 172.8 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | R1708 | R1708-V1713 HydrophobicContact CB-CG2 4.13Å; R1708-V1713 HydrophobicContact CG-CG2 4.05Å |
| 1714 | F | 88.2 | Confident | 82.6 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.1 | 177.4 | -64 | -83.7 | 0 | 0 | 0 | 109.7 | I1408 S1706 C1707 V1709 R1712 F1719 L1736 I1740 | I1408-F1714 HydrophobicContact CG2-CE2 4.07Å; I1408-F1714 HydrophobicContact CG2-CZ 3.67Å; S1706-F1714 CarbonylContact C-O 3.46Å; S1706-F1714 WeakPolarHBondContact CA-O 3.42Å; S1706-F1714 WeakPolarHBondContact CB-O 3.37Å; C1707-F1714 PolarHBondContact N-O 2.82Å; C1707-F1714 PolarHBondContact O-N 2.71Å; V1709-F1714 HydrophobicContact CB-CE2 4.39Å; V1709-F1714 HydrophobicContact CG2-CD2 4.44Å; V1709-F1714 HydrophobicContact CG2-CE2 4.48Å; R1712-F1714 HydrophobicContact CB-CE2 4.04Å; R1712-F1714 HydrophobicContact CB-CZ 4.27Å; R1712-F1714 HydrophobicContact CG-CD2 4.46Å; R1712-F1714 HydrophobicContact CG-CE1 4.21Å; R1712-F1714 HydrophobicContact CG-CE2 3.98Å; R1712-F1714 HydrophobicContact CG-CZ 3.86Å; F1714-F1719 HydrophobicContact CB-CE2 4.21Å; F1714-F1719 HydrophobicContact CD1-CE2 4.13Å; F1714-F1719 AromaticContact CD1-CZ 3.75Å; F1714-F1719 HydrophobicContact CD1-CZ 3.75Å; F1714-F1719 HydrophobicContact CE1-CZ 4.39Å; F1714-L1736 HydrophobicContact CB-CD1 4.08Å; F1714-I1740 HydrophobicContact CB-CD1 3.76Å; F1714-I1740 HydrophobicContact CB-CG1 3.79Å; F1714-I1740 HydrophobicContact CD1-CG1 4.06Å; F1714-I1740 HydrophobicContact CD2-CD1 3.73Å; F1714-I1740 HydrophobicContact CD2-CG1 3.75Å; F1714-I1740 HydrophobicContact CD2-CG2 4.25Å; F1714-I1740 HydrophobicContact CE2-CG1 4.28Å; F1714-I1740 HydrophobicContact CE2-CG2 3.99Å; F1714-I1740 HydrophobicContact CG-CD1 3.87Å; F1714-I1740 HydrophobicContact CG-CG1 3.6Å; F1714-I1740 HydrophobicContact CZ-CG2 4.26Å |
| 1715 | V | 88.8 | Confident | 82.5 | Confident | 40 Ų | 40 | 65 Ų | 65 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.9 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | N1704 E1717 D1718 F1719 | N1704-V1715 HydrophobicContact CB-CG1 3.9Å; V1715-E1717 VanDerWaalsContact C-N 3.31Å; V1715-E1717 PolarHBondContact O-N 3.38Å; V1715-D1718 WeakPolarHBondContact O-CB 2.92Å; V1715-D1718 PolarHBondContact O-N 3.11Å; V1715-F1719 WeakPolarHBondContact O-CD2 3.39Å |
| 1716 | L | 87.9 | Confident | 82.1 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -38.1 | -174.3 | -177.8 | 60.9 | 0 | 0 | 0 | 113.6 | P1705 D1718 F1719 E1720 P1732 R1735 L1736 | P1705-L1716 HydrophobicContact CB-CD2 4.5Å; P1705-L1716 HydrophobicContact CG-CD2 3.89Å; P1705-L1716 PolarHBondContact O-N 3.45Å; P1705-L1716 VanDerWaalsContact O-N 3.11Å; L1716-D1718 PolarHBondContact O-N 2.77Å; L1716-F1719 PolarHBondContact O-N 3.31Å; L1716-E1720 HydrophobicContact CD1-CG 4.16Å; L1716-E1720 PolarHBondContact O-N 3.22Å; L1716-P1732 HydrophobicContact CD2-CB 3.66Å; L1716-R1735 HydrophobicContact CD1-CB 4.06Å; L1716-L1736 HydrophobicContact CB-CB 4.39Å; L1716-L1736 HydrophobicContact CB-CD1 4.27Å; L1716-L1736 HydrophobicContact CD1-CB 4.03Å |
| 1717 | E | 85 | Confident | 81.4 | Confident | 112 Ų | 112 | 64.2 Ų | 64.2 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -28.1 | -179.2 | -171.5 | 174.7 | -165.9 | 0 | 0 | 112.8 | N1704 V1715 F1719 E1720 R1721 | N1704-E1717 PolarHBondContact ND2-OE2 3.07Å; V1715-E1717 VanDerWaalsContact C-N 3.31Å; V1715-E1717 PolarHBondContact O-N 3.38Å; E1717-F1719 VanDerWaalsContact C-N 3.27Å; E1717-F1719 PolarHBondContact O-N 3.3Å; E1717-E1720 PolarHBondContact O-N 3.16Å; E1717-R1721 WeakPolarHBondContact O-CB 3.34Å; E1717-R1721 PolarHBondContact O-N 3.26Å |
| 1718 | D | 85 | Confident | 81.2 | Confident | 120 Ų | 120 | 65 Ų | 65 | 64% | 0.642 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67 | -30.3 | -180 | -64.8 | -25.4 | 0 | 0 | 0 | 112.2 | V1715 L1716 | V1715-D1718 WeakPolarHBondContact O-CB 2.92Å; V1715-D1718 PolarHBondContact O-N 3.11Å; L1716-D1718 PolarHBondContact O-N 2.77Å |
| 1719 | F | 85.3 | Confident | 81.2 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 22% | 0.219 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -86 | -33.2 | 179.4 | -63.8 | -79.2 | 0 | 0 | 0 | 112.7 | F1714 V1715 L1716 E1717 L1736 H1739 K1743 | F1714-F1719 HydrophobicContact CB-CE2 4.21Å; F1714-F1719 HydrophobicContact CD1-CE2 4.13Å; F1714-F1719 AromaticContact CD1-CZ 3.75Å; F1714-F1719 HydrophobicContact CD1-CZ 3.75Å; F1714-F1719 HydrophobicContact CE1-CZ 4.39Å; V1715-F1719 WeakPolarHBondContact O-CD2 3.39Å; L1716-F1719 PolarHBondContact O-N 3.31Å; E1717-F1719 VanDerWaalsContact C-N 3.27Å; E1717-F1719 PolarHBondContact O-N 3.3Å; F1719-L1736 HydrophobicContact CD2-CD1 4.27Å; F1719-L1736 HydrophobicContact CE2-CD1 4.07Å; F1719-H1739 HydrophobicContact CB-CB 4.15Å; F1719-H1739 HydrophobicContact CD1-CB 3.81Å; F1719-H1739 HydrophobicContact CD2-CB 3.8Å; F1719-H1739 HydrophobicContact CE1-CB 4.07Å; F1719-H1739 HydrophobicContact CE2-CB 4.06Å; F1719-H1739 HydrophobicContact CG-CB 3.65Å; F1719-H1739 AromaticContact CG-CG 3.74Å; F1719-H1739 HydrophobicContact CZ-CB 4.18Å; F1719-K1743 HydrophobicContact CE1-CG 4.03Å |
| 1720 | E | 85.6 | Confident | 81.5 | Confident | 40 Ų | 40 | 61 Ų | 61 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -103.8 | 10.2 | -169.5 | -55.9 | -172.9 | 158 | 0 | 0 | 113.9 | L1716 E1717 G1722 M1723 R1735 H1739 | L1716-E1720 HydrophobicContact CD1-CG 4.16Å; L1716-E1720 PolarHBondContact O-N 3.22Å; E1717-E1720 PolarHBondContact O-N 3.16Å; E1720-G1722 PolarHBondContact O-N 2.82Å; E1720-G1722 VanDerWaalsContact O-N 3.08Å; E1720-M1723 VanDerWaalsContact CA-SD 3.56Å; E1720-M1723 HydrophobicContact CB-CG 4.36Å; E1720-M1723 HydrophobicContact CB-SD 3.69Å; E1720-M1723 HydrophobicContact CG-SD 3.67Å; E1720-M1723 PolarHBondContact O-N 2.89Å; E1720-M1723 VanDerWaalsContact O-N 3.14Å; E1720-R1735 IonicContact OE1-CZ 2.71Å; E1720-R1735 IonicContact OE1-NH1 2.97Å; E1720-R1735 PolarHBondContact OE1-NH1 3.37Å; E1720-R1735 IonicContact OE2-CZ 3.81Å; E1720-R1735 IonicContact OE2-NH1 2.68Å; E1720-R1735 PolarHBondContact OE2-NH1 3.06Å; E1720-H1739 IonicContact OE1-CD2 2.65Å; E1720-H1739 IonicContact OE1-NE2 2.96Å; E1720-H1739 PolarHBondContact OE1-NE2 3.33Å |
| 1721 | R | 81.3 | Confident | 82.1 | Confident | 222 Ų | 222 | 62.9 Ų | 62.9 | 84% | 0.838 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 113 | 179.2 | -169.1 | 176.2 | -176.1 | 179.5 | 1.6 | 110.7 | E1717 | E1717-R1721 WeakPolarHBondContact O-CB 3.34Å; E1717-R1721 PolarHBondContact O-N 3.26Å |
| 1722 | G | 75.6 | Confident | 82.8 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 68% | 0.68 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | -3.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1720 | E1720-G1722 PolarHBondContact O-N 2.82Å; E1720-G1722 VanDerWaalsContact O-N 3.08Å |
| 1723 | M | 78.3 | Confident | 83.2 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | trans | -58.6 | 146.3 | 174.6 | -71.7 | -177.7 | 72.5 | 0 | 0 | 111.9 | K1442 E1720 | K1442-M1723 PolarHBondContact NZ-O 3.18Å; E1720-M1723 VanDerWaalsContact CA-SD 3.56Å; E1720-M1723 HydrophobicContact CB-CG 4.36Å; E1720-M1723 HydrophobicContact CB-SD 3.69Å; E1720-M1723 HydrophobicContact CG-SD 3.67Å; E1720-M1723 PolarHBondContact O-N 2.89Å; E1720-M1723 VanDerWaalsContact O-N 3.14Å | ||
| 1724 | V | 72.2 | Confident | 83.7 | Confident | 71 Ų | 71 | 54.9 Ų | 54.9 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | trans | -70.5 | 134.2 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | N1726 | V1724-N1726 PolarHBondContact O-N 3.18Š| ||
| 1725 | P | 69.8 | Low | 83.9 | Confident | 35 Ų | 35 | 56 Ų | 56 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | trans | -58.5 | 111.1 | 177.1 | -23.2 | 33.6 | 0 | 0 | 0 | 111.2 | K1442 F1444 | K1442-P1725 HydrophobicContact CB-CG 4.4Å; K1442-P1725 HydrophobicContact CD-CG 4.13Å; F1444-P1725 HydrophobicContact CD1-CB 3.99Å; F1444-P1725 HydrophobicContact CE1-CB 4.11Å; F1444-P1725 HydrophobicContact CG-CB 4.21Å; F1444-P1725 HydrophobicContact CZ-CB 4.44Å | ||
| 1726 | N | 75.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | trans | -103.9 | 118 | 179.5 | 175.3 | -4.9 | 0 | 0 | 0 | 109.7 | Y1478 V1724 H1728 L1729 | Y1478-N1726 HydrophobicContact CE1-CB 4.42Å; V1724-N1726 PolarHBondContact O-N 3.18Å; N1726-H1728 PolarHBondContact O-N 2.85Å; N1726-H1728 WeakPolarHBondContact OD1-CB 3.46Å; N1726-H1728 PolarHBondContact OD1-CD2 2.77Å; N1726-H1728 PolarHBondContact OD1-N 3.35Å; N1726-L1729 HydrophobicContact CB-CD1 3.96Å; N1726-L1729 HydrophobicContact CB-CG 3.86Å; N1726-L1729 WeakPolarHBondContact O-CB 3.26Å; N1726-L1729 WeakPolarHBondContact O-CG 2.96Å; N1726-L1729 PolarHBondContact O-N 3.11Å | ||
| 1727 | P | 75.6 | Confident | 84.4 | Confident | 34 Ų | 34 | 53.7 Ų | 53.7 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14.7 | -176.1 | 29.2 | -35.1 | 0 | 0 | 0 | 113.9 | L1447 I1450 L1729 | L1447-P1727 HydrophobicContact CD2-CB 4.08Å; L1447-P1727 HydrophobicContact CG-CB 4.12Å; I1450-P1727 HydrophobicContact CD1-CB 4.4Å; I1450-P1727 HydrophobicContact CD1-CG 3.58Å; I1450-P1727 HydrophobicContact CG1-CG 4.07Å; P1727-L1729 VanDerWaalsContact C-N 3.34Å |
| 1728 | H | 85.6 | Confident | 84.9 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 7% | 0.069 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.1 | -179.9 | -60.8 | -61.8 | 0 | 0 | 0 | 113.8 | Y1478 C1664 V1665 S1666 N1726 G1730 | Y1478-H1728 AromaticContact CZ-CD2 3.96Å; Y1478-H1728 PolarHBondContact OH-CD2 3.23Å; Y1478-H1728 PolarHBondContact OH-NE2 3.41Å; C1664-H1728 CarbonylContact C-O 3.59Å; C1664-H1728 WeakPolarHBondContact CA-O 3.37Å; C1664-H1728 HydrophobicContact CB-CB 3.98Å; C1664-H1728 WeakPolarHBondContact CB-O 3.25Å; V1665-H1728 PolarHBondContact N-O 3Å; S1666-H1728 WeakPolarHBondContact O-CB 3.23Å; S1666-H1728 PolarHBondContact OG-ND1 3.37Å; N1726-H1728 PolarHBondContact O-N 2.85Å; N1726-H1728 WeakPolarHBondContact OD1-CB 3.46Å; N1726-H1728 PolarHBondContact OD1-CD2 2.77Å; N1726-H1728 PolarHBondContact OD1-N 3.35Å; H1728-G1730 PolarHBondContact O-N 3.13Å |
| 1729 | L | 86.7 | Confident | 85.2 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 20% | 0.199 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -59.5 | 131.4 | -176.2 | -73.9 | 174.5 | 0 | 0 | 0 | 112.1 | N1726 P1727 | N1726-L1729 HydrophobicContact CB-CD1 3.96Å; N1726-L1729 HydrophobicContact CB-CG 3.86Å; N1726-L1729 WeakPolarHBondContact O-CB 3.26Å; N1726-L1729 WeakPolarHBondContact O-CG 2.96Å; N1726-L1729 PolarHBondContact O-N 3.11Å; P1727-L1729 VanDerWaalsContact C-N 3.34Å |
| 1730 | G | 88.8 | Confident | 85.5 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 22% | 0.224 | C | C | . | . | trans | -77.6 | -173.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1663 H1728 R1735 | Y1663-G1730 PolarHBondContact O-N 3.38Å; H1728-G1730 PolarHBondContact O-N 3.13Å; G1730-R1735 WeakPolarHBondContact O-CD 3.33Å; G1730-R1735 PolarHBondContact O-NE 3.07Å | ||
| 1731 | P | 90.1 | Very high | 85.8 | Confident | 67 Ų | 67 | 39.5 Ų | 39.5 | 44% | 0.435 | 22% | 0.215 | S | C | . | . | trans | -51.9 | 142 | 175.7 | 18.3 | -34 | 0 | 0 | 0 | 113.4 | Y1663 K1733 E1734 R1735 | Y1663-P1731 HydrophobicContact CE1-CG 4.18Å; P1731-K1733 VanDerWaalsContact C-N 3.29Å; P1731-K1733 PolarHBondContact O-N 3.48Å; P1731-E1734 HydrophobicContact CG-CB 4.41Å; P1731-E1734 HydrophobicContact CG-CG 4.03Å; P1731-E1734 PolarHBondContact O-N 3Å; P1731-R1735 PolarHBondContact O-N 2.73Å | ||
| 1732 | P | 88 | Confident | 86.3 | Confident | 56 Ų | 56 | 30.3 Ų | 30.3 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.4 | -34.4 | -175.9 | -22.3 | 28.3 | 0 | 0 | 0 | 115.6 | P1705 L1716 L1736 | P1705-P1732 HydrophobicContact CG-CB 3.49Å; P1705-P1732 VanDerWaalsContact CG-CB 3.49Å; L1716-P1732 HydrophobicContact CD2-CB 3.66Å; P1732-L1736 PolarHBondContact O-N 3.37Å |
| 1733 | K | 90.3 | Very high | 86.8 | Confident | 92 Ų | 92 | 32 Ų | 32 | 40% | 0.4 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 179.3 | -176.8 | -166.8 | 170.1 | -137.4 | 0 | 112 | S1678 Y1695 P1731 L1736 A1737 | S1678-K1733 PolarHBondContact OG-NZ 3.14Å; S1678-K1733 VanDerWaalsContact OG-NZ 3.17Å; Y1695-K1733 HydrophobicContact CD1-CG 3.86Å; Y1695-K1733 HydrophobicContact CE1-CG 3.82Å; Y1695-K1733 HydrophobicContact CG-CG 4.39Å; P1731-K1733 VanDerWaalsContact C-N 3.29Å; P1731-K1733 PolarHBondContact O-N 3.48Å; K1733-L1736 PolarHBondContact O-N 2.95Å; K1733-A1737 PolarHBondContact O-N 3.17Å |
| 1734 | E | 94.3 | Very high | 87.1 | Confident | 13 Ų | 13 | 30 Ų | 30 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.9 | -34.2 | -177.6 | -57 | -49 | 138.1 | 0 | 0 | 111.6 | Y1663 P1677 S1678 P1731 A1737 L1738 | Y1663-E1734 HydrophobicContact CD1-CB 3.57Å; Y1663-E1734 HydrophobicContact CE1-CB 3.46Å; Y1663-E1734 VanDerWaalsContact CE1-CB 3.46Å; Y1663-E1734 HydrophobicContact CE1-CG 4.06Å; Y1663-E1734 HydrophobicContact CE2-CB 4.43Å; Y1663-E1734 HydrophobicContact CG-CB 4.12Å; P1677-E1734 HydrophobicContact CB-CB 4.4Å; P1677-E1734 WeakPolarHBondContact CB-O 3.49Å; P1677-E1734 HydrophobicContact CG-CB 4.12Å; S1678-E1734 WeakPolarHBondContact CB-OE2 3.47Å; S1678-E1734 PolarHBondContact N-OE2 3.4Å; S1678-E1734 VanDerWaalsContact OG-CD 3.22Å; S1678-E1734 PolarHBondContact OG-OE1 3.45Å; S1678-E1734 PolarHBondContact OG-OE2 2.87Å; P1731-E1734 HydrophobicContact CG-CB 4.41Å; P1731-E1734 HydrophobicContact CG-CG 4.03Å; P1731-E1734 PolarHBondContact O-N 3Å; E1734-A1737 PolarHBondContact O-N 2.88Å; E1734-L1738 PolarHBondContact O-N 2.47Å |
| 1735 | R | 92.8 | Very high | 87.7 | Confident | 33 Ų | 33 | 27.6 Ų | 27.6 | 13% | 0.125 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 170.4 | -70.7 | -175.2 | -67.1 | 116.1 | -7.8 | 111.8 | Y1663 L1716 E1720 G1730 P1731 A1737 L1738 H1739 | Y1663-R1735 HydrophobicContact CD1-CG 4.25Å; L1716-R1735 HydrophobicContact CD1-CB 4.06Å; E1720-R1735 IonicContact OE1-CZ 2.71Å; E1720-R1735 IonicContact OE1-NH1 2.97Å; E1720-R1735 PolarHBondContact OE1-NH1 3.37Å; E1720-R1735 IonicContact OE2-CZ 3.81Å; E1720-R1735 IonicContact OE2-NH1 2.68Å; E1720-R1735 PolarHBondContact OE2-NH1 3.06Å; G1730-R1735 WeakPolarHBondContact O-CD 3.33Å; G1730-R1735 PolarHBondContact O-NE 3.07Å; P1731-R1735 PolarHBondContact O-N 2.73Å; R1735-A1737 VanDerWaalsContact C-N 3.34Å; R1735-A1737 PolarHBondContact O-N 3.18Å; R1735-L1738 PolarHBondContact O-N 3.09Å; R1735-H1739 PolarHBondContact O-CD2 2.9Å; R1735-H1739 PolarHBondContact O-N 2.92Å |
| 1736 | L | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 177 | 179.1 | 57.2 | 0 | 0 | 0 | 111.6 | P1705 C1707 F1714 L1716 F1719 P1732 K1733 L1738 H1739 I1740 | P1705-L1736 HydrophobicContact CB-CD2 4.27Å; C1707-L1736 HydrophobicContact CB-CD2 3.66Å; C1707-L1736 HydrophobicContact CB-CG 4.17Å; F1714-L1736 HydrophobicContact CB-CD1 4.08Å; L1716-L1736 HydrophobicContact CB-CB 4.39Å; L1716-L1736 HydrophobicContact CB-CD1 4.27Å; L1716-L1736 HydrophobicContact CD1-CB 4.03Å; F1719-L1736 HydrophobicContact CD2-CD1 4.27Å; F1719-L1736 HydrophobicContact CE2-CD1 4.07Å; P1732-L1736 PolarHBondContact O-N 3.37Å; K1733-L1736 PolarHBondContact O-N 2.95Å; L1736-L1738 VanDerWaalsContact C-N 3.34Å; L1736-L1738 PolarHBondContact O-N 3.22Å; L1736-H1739 PolarHBondContact O-N 3.28Å; L1736-I1740 HydrophobicContact CD1-CD1 4.25Å; L1736-I1740 HydrophobicContact CD1-CG1 4.42Å; L1736-I1740 HydrophobicContact CG-CD1 4.14Å; L1736-I1740 VanDerWaalsContact O-CG1 3.28Å; L1736-I1740 WeakPolarHBondContact O-CG1 3.48Å; L1736-I1740 PolarHBondContact O-N 3.46Å; L1736-I1740 VanDerWaalsContact O-N 3.1Å |
| 1737 | A | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1677 L1681 Y1695 K1733 E1734 R1735 I1740 L1741 | P1677-A1737 HydrophobicContact CB-CB 3.86Å; L1681-A1737 HydrophobicContact CD2-CB 4.22Å; Y1695-A1737 WeakPolarHBondContact OH-CB 3.43Å; K1733-A1737 PolarHBondContact O-N 3.17Å; E1734-A1737 PolarHBondContact O-N 2.88Å; R1735-A1737 VanDerWaalsContact C-N 3.34Å; R1735-A1737 PolarHBondContact O-N 3.18Å; A1737-I1740 PolarHBondContact O-N 2.68Å; A1737-L1741 WeakPolarHBondContact O-CG 3.42Å; A1737-L1741 PolarHBondContact O-N 3.11Å |
| 1738 | L | 94.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 176.9 | -176.3 | 61.3 | 0 | 0 | 0 | 112.6 | L1659 P1660 S1662 Y1663 W1671 P1677 E1734 R1735 L1736 I1740 L1741 N1742 | L1659-L1738 HydrophobicContact CB-CD1 4.25Å; L1659-L1738 HydrophobicContact CD2-CD1 3.9Å; P1660-L1738 HydrophobicContact CG-CD2 4.14Å; P1660-L1738 WeakPolarHBondContact O-CD2 3.41Å; S1662-L1738 VanDerWaalsContact C-CD2 3.41Å; Y1663-L1738 VanDerWaalsContact N-CD2 3.32Å; W1671-L1738 HydrophobicContact CH2-CD1 4.09Å; W1671-L1738 HydrophobicContact CZ3-CD1 3.76Å; W1671-L1738 HydrophobicContact CZ3-CD2 4.02Å; W1671-L1738 HydrophobicContact CZ3-CG 4.48Å; P1677-L1738 HydrophobicContact CB-CB 4.03Å; P1677-L1738 HydrophobicContact CG-CB 4.23Å; E1734-L1738 PolarHBondContact O-N 2.47Å; R1735-L1738 PolarHBondContact O-N 3.09Å; L1736-L1738 VanDerWaalsContact C-N 3.34Å; L1736-L1738 PolarHBondContact O-N 3.22Å; L1738-I1740 VanDerWaalsContact C-N 3.26Å; L1738-I1740 PolarHBondContact O-N 3.02Å; L1738-L1741 WeakPolarHBondContact O-CB 3.38Å; L1738-L1741 PolarHBondContact O-N 3.43Å; L1738-L1741 VanDerWaalsContact O-N 3.14Å; L1738-N1742 PolarHBondContact O-N 2.95Å; L1738-N1742 PolarHBondContact O-ND2 2.81Å |
| 1739 | H | 92.6 | Very high | 90.7 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 10% | 0.097 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 174.9 | -77.2 | -51.6 | 0 | 0 | 0 | 112.4 | F1719 E1720 R1735 L1736 K1743 | F1719-H1739 HydrophobicContact CB-CB 4.15Å; F1719-H1739 HydrophobicContact CD1-CB 3.81Å; F1719-H1739 HydrophobicContact CD2-CB 3.8Å; F1719-H1739 HydrophobicContact CE1-CB 4.07Å; F1719-H1739 HydrophobicContact CE2-CB 4.06Å; F1719-H1739 HydrophobicContact CG-CB 3.65Å; F1719-H1739 AromaticContact CG-CG 3.74Å; F1719-H1739 HydrophobicContact CZ-CB 4.18Å; E1720-H1739 IonicContact OE1-CD2 2.65Å; E1720-H1739 IonicContact OE1-NE2 2.96Å; E1720-H1739 PolarHBondContact OE1-NE2 3.33Å; R1735-H1739 PolarHBondContact O-CD2 2.9Å; R1735-H1739 PolarHBondContact O-N 2.92Å; L1736-H1739 PolarHBondContact O-N 3.28Å; H1739-K1743 WeakPolarHBondContact O-CG 3.48Å |
| 1740 | I | 91.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.3 | -46.9 | 174.1 | -63.3 | 165.1 | 0 | 0 | 0 | 110.3 | L1681 C1707 V1709 F1714 L1736 A1737 L1738 N1742 K1743 | L1681-I1740 HydrophobicContact CD1-CB 4.46Å; L1681-I1740 HydrophobicContact CD1-CG2 3.79Å; L1681-I1740 HydrophobicContact CD2-CB 4.38Å; L1681-I1740 HydrophobicContact CD2-CD1 4.05Å; L1681-I1740 HydrophobicContact CD2-CG2 4.28Å; C1707-I1740 HydrophobicContact CB-CD1 3.86Å; V1709-I1740 HydrophobicContact CG2-CD1 4.32Å; V1709-I1740 HydrophobicContact CG2-CG2 4.43Å; F1714-I1740 HydrophobicContact CB-CD1 3.76Å; F1714-I1740 HydrophobicContact CB-CG1 3.79Å; F1714-I1740 HydrophobicContact CD1-CG1 4.06Å; F1714-I1740 HydrophobicContact CD2-CD1 3.73Å; F1714-I1740 HydrophobicContact CD2-CG1 3.75Å; F1714-I1740 HydrophobicContact CD2-CG2 4.25Å; F1714-I1740 HydrophobicContact CE2-CG1 4.28Å; F1714-I1740 HydrophobicContact CE2-CG2 3.99Å; F1714-I1740 HydrophobicContact CG-CD1 3.87Å; F1714-I1740 HydrophobicContact CG-CG1 3.6Å; F1714-I1740 HydrophobicContact CZ-CG2 4.26Å; L1736-I1740 HydrophobicContact CD1-CD1 4.25Å; L1736-I1740 HydrophobicContact CD1-CG1 4.42Å; L1736-I1740 HydrophobicContact CG-CD1 4.14Å; L1736-I1740 VanDerWaalsContact O-CG1 3.28Å; L1736-I1740 WeakPolarHBondContact O-CG1 3.48Å; L1736-I1740 PolarHBondContact O-N 3.46Å; L1736-I1740 VanDerWaalsContact O-N 3.1Å; A1737-I1740 PolarHBondContact O-N 2.68Å; L1738-I1740 VanDerWaalsContact C-N 3.26Å; L1738-I1740 PolarHBondContact O-N 3.02Å; I1740-N1742 VanDerWaalsContact C-N 3.33Å; I1740-N1742 PolarHBondContact O-N 3.33Å; I1740-K1743 WeakPolarHBondContact O-CB 3.29Å; I1740-K1743 PolarHBondContact O-N 3.38Å; I1740-K1743 VanDerWaalsContact O-N 3.09Å |
| 1741 | L | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 178.3 | -71.6 | 168.8 | 0 | 0 | 0 | 112.4 | L1659 P1677 I1680 L1681 V1684 A1737 L1738 K1743 L1744 L1746 | L1659-L1741 HydrophobicContact CD1-CB 3.82Å; L1659-L1741 HydrophobicContact CD2-CD1 4.43Å; P1677-L1741 HydrophobicContact CB-CD1 4.45Å; P1677-L1741 WeakPolarHBondContact O-CD1 3.3Å; I1680-L1741 HydrophobicContact CB-CD1 3.9Å; I1680-L1741 HydrophobicContact CG2-CD1 3.7Å; I1680-L1741 HydrophobicContact CG2-CD2 3.89Å; I1680-L1741 HydrophobicContact CG2-CG 4.48Å; L1681-L1741 HydrophobicContact CB-CD1 4.48Å; L1681-L1741 HydrophobicContact CB-CD2 4.19Å; L1681-L1741 HydrophobicContact CB-CG 4.28Å; L1681-L1741 HydrophobicContact CD1-CD2 3.95Å; L1681-L1741 HydrophobicContact CD1-CG 4.26Å; V1684-L1741 HydrophobicContact CB-CD2 4.43Å; V1684-L1741 HydrophobicContact CG2-CD2 3.99Å; A1737-L1741 WeakPolarHBondContact O-CG 3.42Å; A1737-L1741 PolarHBondContact O-N 3.11Å; L1738-L1741 WeakPolarHBondContact O-CB 3.38Å; L1738-L1741 PolarHBondContact O-N 3.43Å; L1738-L1741 VanDerWaalsContact O-N 3.14Å; L1741-K1743 PolarHBondContact O-N 3.41Å; L1741-L1744 HydrophobicContact CD2-CD1 4.43Å; L1741-L1744 WeakPolarHBondContact O-CB 3.22Å; L1741-L1744 PolarHBondContact O-N 3.4Å; L1741-L1746 HydrophobicContact CB-CD1 4.32Å; L1741-L1746 HydrophobicContact CD2-CD1 3.74Å |
| 1742 | N | 90.9 | Very high | 91.6 | Very high | 30 Ų | 30 | 21.7 Ų | 21.7 | 16% | 0.16 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.3 | 177.6 | -83.9 | -46.1 | 0 | 0 | 0 | 114.4 | P1660 Q1661 L1738 I1740 | P1660-N1742 PolarHBondContact O-ND2 2.85Å; Q1661-N1742 PolarHBondContact O-ND2 2.88Å; L1738-N1742 PolarHBondContact O-N 2.95Å; L1738-N1742 PolarHBondContact O-ND2 2.81Å; I1740-N1742 VanDerWaalsContact C-N 3.33Å; I1740-N1742 PolarHBondContact O-N 3.33Å |
| 1743 | K | 85.6 | Confident | 91.9 | Very high | 101 Ų | 101 | 19.4 Ų | 19.4 | 44% | 0.439 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -12.6 | 172.4 | -68.2 | -66.3 | -176.4 | -174.7 | 0 | 113 | T1412 F1719 H1739 I1740 L1741 | T1412-K1743 HydrophobicContact CG2-CB 3.79Å; T1412-K1743 WeakPolarHBondContact CG2-O 3.15Å; F1719-K1743 HydrophobicContact CE1-CG 4.03Å; H1739-K1743 WeakPolarHBondContact O-CG 3.48Å; I1740-K1743 WeakPolarHBondContact O-CB 3.29Å; I1740-K1743 PolarHBondContact O-N 3.38Å; I1740-K1743 VanDerWaalsContact O-N 3.09Å; L1741-K1743 PolarHBondContact O-N 3.41Å |
| 1744 | L | 85.7 | Confident | 92.1 | Very high | 10 Ų | 10 | 15.7 Ų | 15.7 | 5% | 0.052 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -86.7 | 158.7 | 175.9 | -58.2 | 177.9 | 0 | 0 | 0 | 109.7 | I1408 L1411 V1684 L1741 L1746 | I1408-L1744 HydrophobicContact CG1-CD2 4.45Å; L1411-L1744 HydrophobicContact CB-CD2 4.01Å; L1411-L1744 HydrophobicContact CD1-CD2 4.31Å; V1684-L1744 HydrophobicContact CG1-CD1 3.78Å; L1741-L1744 HydrophobicContact CD2-CD1 4.43Å; L1741-L1744 WeakPolarHBondContact O-CB 3.22Å; L1741-L1744 PolarHBondContact O-N 3.4Å; L1744-L1746 HydrophobicContact CB-CD1 4.14Å; L1744-L1746 HydrophobicContact CB-CG 3.95Å; L1744-L1746 HydrophobicContact CD1-CD1 4.39Å; L1744-L1746 PolarHBondContact O-N 3.19Å |
| 1745 | P | 83.2 | Confident | 92 | Very high | 21 Ų | 21 | 17.7 Ų | 17.7 | 14% | 0.136 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -73.9 | 64.2 | 176 | 32.2 | -36 | 0 | 0 | 0 | 110.1 | L1411 A1415 Y1653 | L1411-P1745 HydrophobicContact CD2-CG 3.78Å; A1415-P1745 HydrophobicContact CB-CB 4.29Å; Y1653-P1745 VanDerWaalsContact CD1-O 3.25Å; Y1653-P1745 WeakPolarHBondContact CD1-O 3.24Å |
| 1746 | L | 90.5 | Very high | 92 | Very high | 6 Ų | 6 | 16.1 Ų | 16.1 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | trans | -108.4 | 151.9 | 177.9 | -61.8 | 177.6 | 0 | 0 | 0 | 109.5 | K1652 Y1653 R1654 L1659 V1684 L1741 L1744 K1748 | K1652-L1746 WeakPolarHBondContact O-CD2 3.37Å; Y1653-L1746 WeakPolarHBondContact O-CA 3.46Å; R1654-L1746 HydrophobicContact CB-CD2 4.13Å; L1659-L1746 HydrophobicContact CD1-CB 3.8Å; L1659-L1746 HydrophobicContact CD1-CD1 3.8Å; L1659-L1746 HydrophobicContact CD1-CG 4.47Å; V1684-L1746 HydrophobicContact CG2-CD1 4.23Å; L1741-L1746 HydrophobicContact CB-CD1 4.32Å; L1741-L1746 HydrophobicContact CD2-CD1 3.74Å; L1744-L1746 HydrophobicContact CB-CD1 4.14Å; L1744-L1746 HydrophobicContact CB-CG 3.95Å; L1744-L1746 HydrophobicContact CD1-CD1 4.39Å; L1744-L1746 PolarHBondContact O-N 3.19Å; L1746-K1748 PolarHBondContact O-N 2.98Å; L1746-K1748 VanDerWaalsContact O-N 3.08Å | ||
| 1747 | V | 92.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | trans | -60.6 | 115.3 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 109.2 | L1488 F1494 F1497 Y1653 A1655 L1659 H1750 | L1488-V1747 HydrophobicContact CD1-CG1 4.35Å; L1488-V1747 HydrophobicContact CD2-CG1 4.07Å; L1488-V1747 HydrophobicContact CD2-CG2 4.43Å; F1494-V1747 HydrophobicContact CD2-CG2 4.39Å; F1494-V1747 HydrophobicContact CE1-CG2 4.2Å; F1494-V1747 HydrophobicContact CE2-CG2 3.86Å; F1494-V1747 HydrophobicContact CZ-CB 4.5Å; F1494-V1747 HydrophobicContact CZ-CG2 3.76Å; F1497-V1747 HydrophobicContact CE1-CG2 4.12Å; F1497-V1747 HydrophobicContact CZ-CG2 4.1Å; Y1653-V1747 PolarHBondContact O-N 2.91Å; A1655-V1747 HydrophobicContact CB-CG2 3.86Å; L1659-V1747 PolarHBondContact N-O 2.92Å; L1659-V1747 VanDerWaalsContact N-O 3.09Å; V1747-H1750 WeakPolarHBondContact CG1-ND1 3.27Å | ||
| 1748 | K | 92.2 | Very high | 90.8 | Very high | 52 Ų | 52 | 21 Ų | 21 | 23% | 0.226 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -73.8 | 165.1 | 174.1 | -60.4 | 175.3 | -173.8 | 171.5 | 0 | 109.7 | Q1419 L1746 H1750 | Q1419-K1748 VanDerWaalsContact CD-NZ 3.31Å; L1746-K1748 PolarHBondContact O-N 2.98Å; L1746-K1748 VanDerWaalsContact O-N 3.08Å; K1748-H1750 PolarHBondContact O-N 2.81Å; K1748-H1750 PolarHBondContact O-ND1 3.47Å |
| 1749 | E | 94.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -59.2 | 126.5 | 169.9 | -168 | -178.2 | -166.2 | 0 | 0 | 109.7 | K1459 I1481 C1482 L1659 P1660 R1672 F1787 | K1459-E1749 IonicContact NZ-OE1 3.99Å; K1459-E1749 PolarHBondContact NZ-OE1 3.46Å; K1459-E1749 IonicContact NZ-OE2 3.15Å; K1459-E1749 PolarHBondContact NZ-OE2 2.81Å; I1481-E1749 HydrophobicContact CG2-CB 4.21Å; I1481-E1749 HydrophobicContact CG2-CG 3.6Å; C1482-E1749 PolarHBondContact N-O 3.18Å; L1659-E1749 WeakPolarHBondContact O-CB 3.37Å; L1659-E1749 PolarHBondContact O-N 3.25Å; P1660-E1749 WeakPolarHBondContact CB-OE2 3.17Å; R1672-E1749 IonicContact NH1-OE1 3.73Å; R1672-E1749 PolarHBondContact NH1-OE1 3.45Å; R1672-E1749 VanDerWaalsContact NH1-OE1 3.13Å; E1749-F1787 WeakPolarHBondContact OE1-CE2 3.36Å; E1749-F1787 VanDerWaalsContact OE1-CZ 3.24Å; E1749-F1787 WeakPolarHBondContact OE1-CZ 3.43Å |
| 1750 | H | 94.6 | Very high | 88.4 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 168.5 | -165.1 | 68 | -85 | 0 | 0 | 0 | 114.2 | C1482 Y1484 V1747 K1748 | C1482-H1750 HydrophobicContact CB-CB 4.16Å; C1482-H1750 CarbonylContact O-C 3.54Å; C1482-H1750 WeakPolarHBondContact O-CA 3.31Å; C1482-H1750 VanDerWaalsContact O-CB 3.23Å; C1482-H1750 WeakPolarHBondContact O-CB 3.37Å; Y1484-H1750 HydrophobicContact CD2-CB 3.91Å; Y1484-H1750 HydrophobicContact CE2-CB 3.56Å; V1747-H1750 WeakPolarHBondContact CG1-ND1 3.27Å; K1748-H1750 PolarHBondContact O-N 2.81Å; K1748-H1750 PolarHBondContact O-ND1 3.47Å |
| 1751 | V | 95.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.9 | 160.7 | 169.4 | 0 | 0 | 0 | 0 | 106.8 | W1456 F1460 I1481 C1482 V1483 Y1484 I1564 Q1770 W1772 | W1456-V1751 HydrophobicContact CZ2-CG2 4.39Å; F1460-V1751 HydrophobicContact CD2-CG2 4.34Å; F1460-V1751 HydrophobicContact CE2-CG1 4.36Å; F1460-V1751 HydrophobicContact CE2-CG2 4.34Å; I1481-V1751 HydrophobicContact CD1-CG2 3.73Å; C1482-V1751 PolarHBondContact O-N 3.46Å; V1483-V1751 WeakPolarHBondContact CA-O 3.49Å; V1483-V1751 HydrophobicContact CG1-CB 4.34Å; V1483-V1751 HydrophobicContact CG1-CG1 4.38Å; V1483-V1751 HydrophobicContact CG2-CB 4.37Å; Y1484-V1751 PolarHBondContact N-O 2.81Å; I1564-V1751 HydrophobicContact CD1-CB 4.05Å; I1564-V1751 HydrophobicContact CD1-CG1 3.34Å; I1564-V1751 HydrophobicContact CD1-CG2 3.48Å; I1564-V1751 VanDerWaalsContact CD1-CG2 3.48Å; V1751-Q1770 HydrophobicContact CG1-CB 4.08Å; V1751-W1772 HydrophobicContact CG2-CE3 3.92Å; V1751-W1772 HydrophobicContact CG2-CZ3 4.22Å |
| 1752 | E | 95 | Very high | 85.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 152.3 | 175.4 | 56.6 | 175.6 | 158.7 | 0 | 0 | 110.8 | L1488 R1648 R1754 Q1770 M1771 | L1488-E1752 HydrophobicContact CB-CB 4.29Å; L1488-E1752 WeakPolarHBondContact CB-OE2 3.16Å; L1488-E1752 PolarHBondContact N-OE2 3.21Å; R1648-E1752 IonicContact CZ-OE1 2.8Å; R1648-E1752 VanDerWaalsContact CZ-OE1 3.26Å; R1648-E1752 IonicContact CZ-OE2 3.54Å; R1648-E1752 IonicContact NH1-OE1 2.61Å; R1648-E1752 PolarHBondContact NH1-OE1 3.37Å; R1648-E1752 IonicContact NH1-OE2 3.4Å; R1648-E1752 IonicContact NH2-OE1 3.33Å; R1648-E1752 PolarHBondContact NH2-OE1 3.45Å; R1648-E1752 IonicContact NH2-OE2 2.64Å; R1648-E1752 PolarHBondContact NH2-OE2 3.5Å; E1752-R1754 IonicContact OE2-NH1 3.56Å; E1752-R1754 PolarHBondContact OE2-NH1 3.37Å; E1752-Q1770 WeakPolarHBondContact O-CA 3.45Å; E1752-M1771 HydrophobicContact CG-CG 4.46Å; E1752-M1771 WeakPolarHBondContact CG-O 3.44Å; E1752-M1771 PolarHBondContact N-O 3.22Å; E1752-M1771 PolarHBondContact O-N 3.03Å |
| 1753 | T | 94.5 | Very high | 84.5 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.4 | 178 | -53.2 | 0 | 0 | 0 | 0 | 108.8 | Y1484 H1486 K1768 L1769 Q1770 | Y1484-T1753 WeakPolarHBondContact O-CB 3.38Å; Y1484-T1753 PolarHBondContact O-N 2.69Å; Y1484-T1753 VanDerWaalsContact O-N 3.16Å; Y1484-T1753 PolarHBondContact O-OG1 2.75Å; H1486-T1753 CarbonylContact C-O 3.58Å; H1486-T1753 VanDerWaalsContact CA-O 3.23Å; H1486-T1753 WeakPolarHBondContact CA-O 3.06Å; H1486-T1753 PolarHBondContact O-N 3.15Å; T1753-K1768 HydrophobicContact CG2-CB 3.98Å; T1753-K1768 HydrophobicContact CG2-CD 4.29Å; T1753-L1769 CarbonylContact C-O 3.32Å; T1753-L1769 WeakPolarHBondContact CA-O 3.44Å; T1753-Q1770 HydrophobicContact CG2-CG 4.19Å; T1753-Q1770 PolarHBondContact OG1-NE2 3.12Å |
| 1754 | R | 94.4 | Very high | 83.5 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 144 | -179 | -58.3 | -167.8 | 72.3 | 83.7 | 0.1 | 111.3 | E1489 T1641 D1642 E1752 K1768 L1769 | E1489-R1754 IonicContact OE1-CZ 3.11Å; E1489-R1754 VanDerWaalsContact OE1-CZ 3.29Å; E1489-R1754 IonicContact OE1-NH1 3.1Å; E1489-R1754 PolarHBondContact OE1-NH1 3.01Å; E1489-R1754 IonicContact OE1-NH2 3.18Å; E1489-R1754 PolarHBondContact OE1-NH2 3.04Å; E1489-R1754 IonicContact OE2-NH1 3.69Å; E1489-R1754 PolarHBondContact OE2-NH1 3.37Å; T1641-R1754 HydrophobicContact CG2-CB 3.98Å; T1641-R1754 PolarHBondContact OG1-NE 3.02Å; D1642-R1754 PolarHBondContact O-NH2 2.82Å; E1752-R1754 IonicContact OE2-NH1 3.56Å; E1752-R1754 PolarHBondContact OE2-NH1 3.37Å; R1754-K1768 CarbonylContact O-C 3.07Å; R1754-K1768 VanDerWaalsContact O-CA 3.31Å; R1754-K1768 WeakPolarHBondContact O-CA 3.41Å; R1754-L1769 PolarHBondContact N-O 3.06Å; R1754-L1769 PolarHBondContact O-N 3.45Å |
| 1755 | L | 92.4 | Very high | 83.2 | Confident | 56 Ų | 56 | 44 Ų | 44 | 29% | 0.293 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 142.3 | 172.1 | -55.1 | -178.1 | 0 | 0 | 0 | 109.9 | T1641 Y1757 E1765 K1768 | T1641-L1755 WeakPolarHBondContact CB-O 3.44Å; T1641-L1755 PolarHBondContact OG1-O 2.9Å; L1755-Y1757 HydrophobicContact CB-CE2 3.84Å; L1755-Y1757 WeakPolarHBondContact CD1-OH 3.48Å; L1755-E1765 HydrophobicContact CD2-CG 4.37Å; L1755-K1768 HydrophobicContact CD2-CD 4.07Å; L1755-K1768 HydrophobicContact CD2-CG 3.83Å |
| 1756 | L | 92.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 138.7 | 176.8 | -61.8 | 173 | 0 | 0 | 0 | 110.3 | L1569 V1626 T1641 E1765 Q1766 G1767 L1769 | L1569-L1756 HydrophobicContact CD2-CD1 3.61Å; V1626-L1756 HydrophobicContact CB-CD1 4.26Å; V1626-L1756 HydrophobicContact CG2-CD1 3.76Å; V1626-L1756 HydrophobicContact CG2-CD2 4.35Å; T1641-L1756 HydrophobicContact CG2-CD2 4.11Å; L1756-E1765 CarbonylContact O-C 3.58Å; L1756-E1765 WeakPolarHBondContact O-CA 3.46Å; L1756-Q1766 PolarHBondContact O-N 2.77Å; L1756-G1767 WeakPolarHBondContact CB-O 3.16Å; L1756-G1767 PolarHBondContact N-O 2.82Å; L1756-L1769 HydrophobicContact CD1-CB 4.42Å; L1756-L1769 HydrophobicContact CD2-CB 4.23Å; L1756-L1769 HydrophobicContact CD2-CD2 4.47Å; L1756-L1769 HydrophobicContact CG-CB 4.38Å |
| 1757 | Y | 84.2 | Confident | 82.9 | Confident | 92 Ų | 92 | 43 Ų | 43 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.4 | 177 | -63.9 | -82.8 | 0 | 0 | 0 | 111.2 | G1639 Q1640 L1755 P1762 I1764 | G1639-Y1757 WeakPolarHBondContact CA-O 2.98Å; Q1640-Y1757 PolarHBondContact N-O 2.9Å; Q1640-Y1757 PolarHBondContact O-N 3.45Å; L1755-Y1757 HydrophobicContact CB-CE2 3.84Å; L1755-Y1757 WeakPolarHBondContact CD1-OH 3.48Å; Y1757-P1762 VanDerWaalsContact CD1-O 3.25Å; Y1757-P1762 WeakPolarHBondContact CD1-O 3.22Å; Y1757-I1764 WeakPolarHBondContact CD1-O 3.21Å |
| 1758 | S | 77.7 | Confident | 82.9 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137.2 | 173.1 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | L1760 Q1761 P1762 | S1758-L1760 PolarHBondContact O-N 2.98Å; S1758-L1760 VanDerWaalsContact O-N 3.16Å; S1758-L1760 PolarHBondContact OG-N 2.96Å; S1758-Q1761 CarbonylContact O-C 3.54Å; S1758-Q1761 PolarHBondContact O-N 2.81Å; S1758-P1762 WeakPolarHBondContact O-CA 3.31Å; S1758-P1762 VanDerWaalsContact O-N 3.16Å |
| 1759 | P | 68 | Low | 83.2 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.1 | 172.1 | -23.5 | 33.1 | 0 | 0 | 0 | 113.6 | Q1761 | P1759-Q1761 VanDerWaalsContact C-N 3.34Š|
| 1760 | L | 69.3 | Low | 83.3 | Confident | 160 Ų | 160 | 44.4 Ų | 44.4 | 84% | 0.838 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -17.8 | 177.1 | -60.7 | 174.5 | 0 | 0 | 0 | 112.2 | S1758 | S1758-L1760 PolarHBondContact O-N 2.98Å; S1758-L1760 VanDerWaalsContact O-N 3.16Å; S1758-L1760 PolarHBondContact OG-N 2.96Å |
| 1761 | Q | 66.8 | Low | 83.4 | Confident | 64 Ų | 64 | 44 Ų | 44 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 65.1 | -177.2 | -59.5 | -172.7 | -8.6 | 0 | 0 | 111.1 | S1758 P1759 N1763 I1764 | S1758-Q1761 CarbonylContact O-C 3.54Å; S1758-Q1761 PolarHBondContact O-N 2.81Å; P1759-Q1761 VanDerWaalsContact C-N 3.34Å; Q1761-N1763 PolarHBondContact O-N 2.96Å; Q1761-I1764 HydrophobicContact CB-CB 4.14Å; Q1761-I1764 HydrophobicContact CB-CD1 4.18Å; Q1761-I1764 HydrophobicContact CB-CG1 4.28Å; Q1761-I1764 PolarHBondContact O-N 2.9Å; Q1761-I1764 VanDerWaalsContact O-N 3.09Å |
| 1762 | P | 63 | Low | 83.4 | Confident | 84 Ų | 84 | 44.3 Ų | 44.3 | 55% | 0.545 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | -18.3 | -167.9 | 24.1 | -34.8 | 0 | 0 | 0 | 114.8 | Y1757 S1758 | Y1757-P1762 VanDerWaalsContact CD1-O 3.25Å; Y1757-P1762 WeakPolarHBondContact CD1-O 3.22Å; S1758-P1762 WeakPolarHBondContact O-CA 3.31Å; S1758-P1762 VanDerWaalsContact O-N 3.16Å |
| 1763 | N | 63.2 | Low | 83.5 | Confident | 154 Ų | 154 | 44.4 Ų | 44.4 | 82% | 0.824 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 12.2 | -179.1 | -62.6 | -30.6 | 0 | 0 | 0 | 113.2 | Q1761 | Q1761-N1763 PolarHBondContact O-N 2.96Å |
| 1764 | I | 62.9 | Low | 83.6 | Confident | 47 Ų | 47 | 44 Ų | 44 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.7 | -175.3 | -55 | -173.4 | 0 | 0 | 0 | 110.1 | F251 Y1757 Q1761 Q1766 | F251-I1764 HydrophobicContact CE1-CG2 4.13Å; F251-I1764 HydrophobicContact CE2-CG2 3.54Å; F251-I1764 HydrophobicContact CZ-CG2 3.18Å; Y1757-I1764 WeakPolarHBondContact CD1-O 3.21Å; Q1761-I1764 HydrophobicContact CB-CB 4.14Å; Q1761-I1764 HydrophobicContact CB-CD1 4.18Å; Q1761-I1764 HydrophobicContact CB-CG1 4.28Å; Q1761-I1764 PolarHBondContact O-N 2.9Å; Q1761-I1764 VanDerWaalsContact O-N 3.09Å; I1764-Q1766 PolarHBondContact O-NE2 3.07Å |
| 1765 | E | 79.4 | Confident | 83.7 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 130.4 | 175 | -178.2 | -173.5 | 165.5 | 0 | 0 | 110.6 | L1755 L1756 K1768 | L1755-E1765 HydrophobicContact CD2-CG 4.37Å; L1756-E1765 CarbonylContact O-C 3.58Å; L1756-E1765 WeakPolarHBondContact O-CA 3.46Å; E1765-K1768 WeakPolarHBondContact OE1-CE 3.23Å; E1765-K1768 WeakPolarHBondContact OE1-CG 3.49Å |
| 1766 | Q | 82.5 | Confident | 83.8 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 18.1 | -178.7 | -48.4 | -65.7 | -114.8 | 0 | 0 | 112.5 | Q1570 I1638 L1756 I1764 | Q1570-Q1766 HydrophobicContact CB-CB 4.26Å; Q1570-Q1766 VanDerWaalsContact CD-OE1 3.27Å; Q1570-Q1766 PolarHBondContact N-O 2.7Å; Q1570-Q1766 VanDerWaalsContact NE2-OE1 3.11Å; I1638-Q1766 WeakPolarHBondContact O-CB 3.4Å; I1638-Q1766 WeakPolarHBondContact O-CG 3.28Å; L1756-Q1766 PolarHBondContact O-N 2.77Å; I1764-Q1766 PolarHBondContact O-NE2 3.07Å |
| 1767 | G | 86.3 | Confident | 83.9 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 121.3 | -178.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1568 L1756 | D1568-G1767 VanDerWaalsContact O-CA 3.3Å; D1568-G1767 WeakPolarHBondContact O-CA 3.48Å; L1756-G1767 WeakPolarHBondContact CB-O 3.16Å; L1756-G1767 PolarHBondContact N-O 2.82Å |
| 1768 | K | 93.1 | Very high | 84.2 | Confident | 78 Ų | 78 | 39.3 Ų | 39.3 | 34% | 0.339 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148.6 | -176.9 | -53.2 | -176.6 | -175.9 | 173.3 | 0 | 111.4 | A1566 I1567 T1753 R1754 L1755 E1765 | A1566-K1768 CarbonylContact C-O 3.58Å; A1566-K1768 WeakPolarHBondContact CA-O 3.31Å; A1566-K1768 WeakPolarHBondContact CB-O 3.4Å; I1567-K1768 HydrophobicContact CB-CB 4.47Å; I1567-K1768 PolarHBondContact N-O 2.74Å; I1567-K1768 PolarHBondContact O-N 3.34Å; T1753-K1768 HydrophobicContact CG2-CB 3.98Å; T1753-K1768 HydrophobicContact CG2-CD 4.29Å; R1754-K1768 CarbonylContact O-C 3.07Å; R1754-K1768 VanDerWaalsContact O-CA 3.31Å; R1754-K1768 WeakPolarHBondContact O-CA 3.41Å; L1755-K1768 HydrophobicContact CD2-CD 4.07Å; L1755-K1768 HydrophobicContact CD2-CG 3.83Å; E1765-K1768 WeakPolarHBondContact OE1-CE 3.23Å; E1765-K1768 WeakPolarHBondContact OE1-CG 3.49Å |
| 1769 | L | 96.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.7 | -179.7 | -169.1 | 66.8 | 0 | 0 | 0 | 110.7 | I1563 A1566 F1606 V1624 V1626 T1753 R1754 L1756 M1771 | I1563-L1769 HydrophobicContact CD1-CD2 4.29Å; I1563-L1769 HydrophobicContact CG2-CD1 3.79Å; I1563-L1769 HydrophobicContact CG2-CG 4.39Å; A1566-L1769 HydrophobicContact CB-CD1 3.92Å; F1606-L1769 HydrophobicContact CE2-CD1 4.16Å; V1624-L1769 HydrophobicContact CB-CD2 4.4Å; V1624-L1769 HydrophobicContact CG1-CD2 3.46Å; V1624-L1769 VanDerWaalsContact CG1-CD2 3.46Å; V1626-L1769 HydrophobicContact CG2-CD1 4.28Å; V1626-L1769 HydrophobicContact CG2-CD2 4.48Å; T1753-L1769 CarbonylContact C-O 3.32Å; T1753-L1769 WeakPolarHBondContact CA-O 3.44Å; R1754-L1769 PolarHBondContact N-O 3.06Å; R1754-L1769 PolarHBondContact O-N 3.45Å; L1756-L1769 HydrophobicContact CD1-CB 4.42Å; L1756-L1769 HydrophobicContact CD2-CB 4.23Å; L1756-L1769 HydrophobicContact CD2-CD2 4.47Å; L1756-L1769 HydrophobicContact CG-CB 4.38Å; L1769-M1771 HydrophobicContact CD2-SD 3.88Å; L1769-M1771 HydrophobicContact CG-SD 4.46Å |
| 1770 | Q | 97.2 | Very high | 85.7 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.7 | 171.9 | -66.3 | -165.5 | -46.4 | 0 | 0 | 110.2 | I1564 R1565 I1567 V1751 E1752 T1753 | I1564-Q1770 HydrophobicContact CB-CB 4.41Å; I1564-Q1770 WeakPolarHBondContact CB-O 3.37Å; I1564-Q1770 HydrophobicContact CD1-CB 4.28Å; I1564-Q1770 PolarHBondContact N-O 3.42Å; R1565-Q1770 HydrophobicContact CG-CB 4.28Å; R1565-Q1770 PolarHBondContact O-N 3.48Å; I1567-Q1770 HydrophobicContact CD1-CG 4.01Å; V1751-Q1770 HydrophobicContact CG1-CB 4.08Å; E1752-Q1770 WeakPolarHBondContact O-CA 3.45Å; T1753-Q1770 HydrophobicContact CG2-CG 4.19Å; T1753-Q1770 PolarHBondContact OG1-NE2 3.12Å |
| 1771 | M | 97.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 175 | -173.7 | 60.2 | 172.3 | -67.8 | 0 | 0 | 111.8 | V1561 Y1562 I1563 V1624 I1643 E1752 L1769 V1773 | V1561-M1771 HydrophobicContact CG1-CE 3.69Å; Y1562-M1771 CarbonylContact O-C 3.58Å; Y1562-M1771 WeakPolarHBondContact O-CA 3.46Å; Y1562-M1771 WeakPolarHBondContact O-CB 3.4Å; I1563-M1771 HydrophobicContact CD1-CB 3.79Å; I1563-M1771 HydrophobicContact CD1-CE 3.92Å; I1563-M1771 HydrophobicContact CD1-SD 3.96Å; V1624-M1771 HydrophobicContact CG1-SD 4.39Å; V1624-M1771 HydrophobicContact CG2-CE 4Å; V1624-M1771 HydrophobicContact CG2-SD 4.16Å; I1643-M1771 HydrophobicContact CD1-CE 3.66Å; I1643-M1771 HydrophobicContact CD1-SD 4.22Å; E1752-M1771 HydrophobicContact CG-CG 4.46Å; E1752-M1771 WeakPolarHBondContact CG-O 3.44Å; E1752-M1771 PolarHBondContact N-O 3.22Å; E1752-M1771 PolarHBondContact O-N 3.03Å; L1769-M1771 HydrophobicContact CD2-SD 3.88Å; L1769-M1771 HydrophobicContact CG-SD 4.46Å; M1771-V1773 HydrophobicContact CE-CG2 3.62Å |
| 1772 | W | 96.3 | Very high | 87.3 | Confident | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.023 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 167.6 | 159.1 | 74.3 | 96.6 | 0 | 0 | 0 | 110.1 | W1456 Y1562 I1564 V1751 F1787 I1789 | W1456-W1772 AromaticContact CE2-CH2 3.74Å; W1456-W1772 HydrophobicContact CH2-CH2 4.05Å; W1456-W1772 AromaticContact CH2-CZ3 3.79Å; W1456-W1772 HydrophobicContact CH2-CZ3 3.79Å; W1456-W1772 HydrophobicContact CZ2-CE3 4.49Å; W1456-W1772 AromaticContact CZ2-CH2 3.38Å; W1456-W1772 HydrophobicContact CZ2-CH2 3.38Å; W1456-W1772 HydrophobicContact CZ2-CZ2 4.48Å; W1456-W1772 AromaticContact CZ2-CZ3 3.39Å; W1456-W1772 HydrophobicContact CZ2-CZ3 3.39Å; Y1562-W1772 VanDerWaalsContact CB-CE2 3.43Å; Y1562-W1772 VanDerWaalsContact CB-CH2 3.47Å; Y1562-W1772 VanDerWaalsContact CB-CZ2 3.4Å; Y1562-W1772 AromaticContact CD1-CE2 3.97Å; Y1562-W1772 AromaticContact CD1-CH2 3.69Å; Y1562-W1772 HydrophobicContact CD1-CH2 3.69Å; Y1562-W1772 AromaticContact CD1-CZ2 3.29Å; Y1562-W1772 HydrophobicContact CD1-CZ2 3.29Å; Y1562-W1772 AromaticContact CD2-CD1 3.85Å; Y1562-W1772 HydrophobicContact CD2-CD2 4.07Å; Y1562-W1772 AromaticContact CD2-CE2 3.29Å; Y1562-W1772 HydrophobicContact CD2-CG 4.38Å; Y1562-W1772 HydrophobicContact CD2-CH2 4.46Å; Y1562-W1772 AromaticContact CD2-CZ2 3.54Å; Y1562-W1772 HydrophobicContact CD2-CZ2 3.54Å; Y1562-W1772 AromaticContact CD2-NE1 3.13Å; Y1562-W1772 HydrophobicContact CE1-CH2 4.49Å; Y1562-W1772 AromaticContact CE1-CZ2 3.8Å; Y1562-W1772 HydrophobicContact CE1-CZ2 3.8Å; Y1562-W1772 AromaticContact CE2-CE2 3.9Å; Y1562-W1772 HydrophobicContact CE2-CZ2 4.01Å; Y1562-W1772 AromaticContact CE2-NE1 3.47Å; Y1562-W1772 AromaticContact CG-CD2 3.99Å; Y1562-W1772 HydrophobicContact CG-CD2 3.99Å; Y1562-W1772 AromaticContact CG-CE2 3.31Å; Y1562-W1772 HydrophobicContact CG-CE3 4.4Å; Y1562-W1772 AromaticContact CG-CH2 3.66Å; Y1562-W1772 HydrophobicContact CG-CH2 3.66Å; Y1562-W1772 AromaticContact CG-CZ2 3.13Å; Y1562-W1772 HydrophobicContact CG-CZ2 3.13Å; Y1562-W1772 HydrophobicContact CG-CZ3 4.25Å; Y1562-W1772 AromaticContact CG-NE1 3.71Å; Y1562-W1772 PolarHBondContact N-O 3.3Å; Y1562-W1772 PolarHBondContact O-N 2.84Å; Y1562-W1772 VanDerWaalsContact O-N 3.08Å; I1564-W1772 HydrophobicContact CD1-CE3 3.86Å; I1564-W1772 HydrophobicContact CD1-CZ3 3.63Å; I1564-W1772 HydrophobicContact CG1-CE3 4.08Å; I1564-W1772 HydrophobicContact CG1-CZ3 3.56Å; V1751-W1772 HydrophobicContact CG2-CE3 3.92Å; V1751-W1772 HydrophobicContact CG2-CZ3 4.22Å; W1772-F1787 HydrophobicContact CZ2-CD2 4.09Å; W1772-I1789 HydrophobicContact CH2-CD1 4.27Å; W1772-I1789 HydrophobicContact CH2-CG2 3.82Å |
| 1773 | V | 96.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.6 | -178 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | L1559 R1560 V1561 L1622 I1643 L1645 M1771 I1775 | L1559-V1773 HydrophobicContact CD1-CG1 3.46Å; L1559-V1773 VanDerWaalsContact CD1-CG1 3.46Å; L1559-V1773 HydrophobicContact CG-CG1 4.12Å; R1560-V1773 WeakPolarHBondContact O-CA 3.47Å; V1561-V1773 HydrophobicContact CG1-CG2 4.31Å; V1561-V1773 HydrophobicContact CG2-CG1 4.44Å; L1622-V1773 HydrophobicContact CD2-CG1 4.28Å; L1622-V1773 HydrophobicContact CD2-CG2 3.75Å; I1643-V1773 HydrophobicContact CD1-CG2 3.92Å; L1645-V1773 HydrophobicContact CD2-CG1 3.96Å; M1771-V1773 HydrophobicContact CE-CG2 3.62Å; V1773-I1775 HydrophobicContact CG1-CG1 4.18Å |
| 1774 | D | 96.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137.4 | 167.7 | -68.1 | -30.4 | 0 | 0 | 0 | 110.3 | R1560 Y1562 T1656 R1672 F1776 | R1560-D1774 HydrophobicContact CB-CB 4.32Å; R1560-D1774 PolarHBondContact N-O 2.94Å; R1560-D1774 PolarHBondContact O-N 3.12Å; Y1562-D1774 HydrophobicContact CE2-CB 4.49Å; T1656-D1774 CarbonylContact O-C 3.52Å; T1656-D1774 WeakPolarHBondContact O-CA 3.44Å; R1672-D1774 IonicContact CZ-OD2 3.47Å; R1672-D1774 IonicContact NE-OD2 3.84Å; R1672-D1774 PolarHBondContact NE-OD2 2.93Å; R1672-D1774 IonicContact NH2-OD1 2.78Å; R1672-D1774 PolarHBondContact NH2-OD1 3.24Å; R1672-D1774 IonicContact NH2-OD2 2.67Å; R1672-D1774 PolarHBondContact NH2-OD2 2.56Å; R1672-D1774 VanDerWaalsContact NH2-OD2 3.11Å; D1774-F1776 HydrophobicContact CB-CD2 4.41Å; D1774-F1776 HydrophobicContact CB-CE2 3.45Å; D1774-F1776 VanDerWaalsContact CB-CE2 3.45Å; D1774-F1776 HydrophobicContact CB-CZ 3.53Å |
| 1775 | I | 96.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.7 | -177.6 | -50 | 173.5 | 0 | 0 | 0 | 109.9 | C1557 L1559 L1616 L1645 R1648 T1656 V1773 | C1557-I1775 HydrophobicContact CB-CG2 4.03Å; L1559-I1775 HydrophobicContact CD1-CG1 4.11Å; L1616-I1775 HydrophobicContact CD1-CG2 4.13Å; L1645-I1775 HydrophobicContact CB-CD1 4.3Å; L1645-I1775 HydrophobicContact CD2-CD1 4.04Å; L1645-I1775 HydrophobicContact CD2-CG1 4.5Å; R1648-I1775 HydrophobicContact CB-CD1 3.84Å; T1656-I1775 HydrophobicContact CG2-CB 4.28Å; T1656-I1775 PolarHBondContact O-N 3.09Å; V1773-I1775 HydrophobicContact CG1-CG1 4.18Å |
| 1776 | F | 95.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.4 | -177.5 | -53.7 | -75.8 | 0 | 0 | 0 | 112.2 | C1557 M1558 R1560 C1657 D1774 T1778 P1783 | C1557-F1776 CarbonylContact C-O 3.57Å; C1557-F1776 WeakPolarHBondContact CA-O 3.27Å; M1558-F1776 HydrophobicContact CB-CB 4.35Å; M1558-F1776 PolarHBondContact N-O 3.06Å; M1558-F1776 PolarHBondContact O-N 3.15Å; R1560-F1776 HydrophobicContact CG-CE2 4.24Å; C1657-F1776 HydrophobicContact CB-CE1 3.86Å; C1657-F1776 HydrophobicContact CB-CZ 4.27Å; D1774-F1776 HydrophobicContact CB-CD2 4.41Å; D1774-F1776 HydrophobicContact CB-CE2 3.45Å; D1774-F1776 VanDerWaalsContact CB-CE2 3.45Å; D1774-F1776 HydrophobicContact CB-CZ 3.53Å; F1776-T1778 PolarHBondContact O-N 2.78Å; F1776-P1783 HydrophobicContact CB-CB 4.18Å; F1776-P1783 HydrophobicContact CB-CG 4.3Å; F1776-P1783 HydrophobicContact CD1-CB 3.78Å; F1776-P1783 HydrophobicContact CD2-CB 3.75Å; F1776-P1783 HydrophobicContact CD2-CG 3.91Å; F1776-P1783 HydrophobicContact CE1-CB 4.05Å; F1776-P1783 HydrophobicContact CE2-CB 4.01Å; F1776-P1783 HydrophobicContact CE2-CG 4.41Å; F1776-P1783 HydrophobicContact CG-CB 3.61Å; F1776-P1783 HydrophobicContact CG-CG 4.05Å; F1776-P1783 HydrophobicContact CZ-CB 4.14Å |
| 1777 | P | 93.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 7% | 0.065 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 125.3 | 169.4 | -27.6 | 36.5 | 0 | 0 | 0 | 112.2 | E1555 S1779 L1780 | E1555-P1777 HydrophobicContact CG-CB 4.33Å; E1555-P1777 WeakPolarHBondContact OE1-CB 3.18Å; P1777-S1779 PolarHBondContact O-N 3.06Å; P1777-L1780 HydrophobicContact CB-CD1 3.98Å; P1777-L1780 HydrophobicContact CB-CG 4.12Å; P1777-L1780 HydrophobicContact CG-CD1 4Å; P1777-L1780 PolarHBondContact O-N 3.07Å; P1777-L1780 VanDerWaalsContact O-N 3.13Å |
| 1778 | T | 91.9 | Very high | 91.6 | Very high | 47 Ų | 47 | 39.8 Ų | 39.8 | 29% | 0.288 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -66.3 | -22.5 | -179.4 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | E1556 M1558 F1776 L1780 G1781 | E1556-T1778 HydrophobicContact CG-CG2 4Å; E1556-T1778 WeakPolarHBondContact O-CB 3.43Å; E1556-T1778 WeakPolarHBondContact O-CG2 3.44Å; E1556-T1778 PolarHBondContact O-N 2.89Å; E1556-T1778 PolarHBondContact O-OG1 3.1Å; M1558-T1778 HydrophobicContact CB-CG2 4.36Å; F1776-T1778 PolarHBondContact O-N 2.78Å; T1778-L1780 PolarHBondContact O-N 2.96Å; T1778-G1781 PolarHBondContact O-N 3.5Å |
| 1779 | S | 89 | Confident | 91.5 | Very high | 86 Ų | 86 | 36.2 Ų | 36.2 | 60% | 0.601 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -60.9 | -21.7 | 173.8 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | E1555 P1777 | E1555-S1779 PolarHBondContact OE1-OG 2.69Å; E1555-S1779 VanDerWaalsContact OE1-OG 3.12Å; P1777-S1779 PolarHBondContact O-N 3.06Å |
| 1780 | L | 87.9 | Confident | 91.1 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 39% | 0.393 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -90.5 | 3.1 | -179.7 | -61.7 | 174.1 | 0 | 0 | 0 | 113.6 | K1675 P1777 T1778 | K1675-L1780 HydrophobicContact CD-CD1 4.4Å; K1675-L1780 HydrophobicContact CG-CD1 4.36Å; P1777-L1780 HydrophobicContact CB-CD1 3.98Å; P1777-L1780 HydrophobicContact CB-CG 4.12Å; P1777-L1780 HydrophobicContact CG-CD1 4Å; P1777-L1780 PolarHBondContact O-N 3.07Å; P1777-L1780 VanDerWaalsContact O-N 3.13Å; T1778-L1780 PolarHBondContact O-N 2.96Å |
| 1781 | G | 85 | Confident | 90.4 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | trans | 89.1 | -173.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1778 | T1778-G1781 PolarHBondContact O-N 3.5Š| ||
| 1782 | E | 84.5 | Confident | 89.6 | Confident | 185 Ų | 185 | 42.7 Ų | 42.7 | 86% | 0.864 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 131.2 | -178.1 | -66.4 | -169.8 | 164.8 | 0 | 0 | 110.9 | ||
| 1783 | P | 87.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 159.9 | 173.4 | 27.1 | -33.1 | 0 | 0 | 0 | 111.1 | S1674 F1776 | S1674-P1783 VanDerWaalsContact OG-CA 3.29Å; S1674-P1783 WeakPolarHBondContact OG-CA 3.2Å; F1776-P1783 HydrophobicContact CB-CB 4.18Å; F1776-P1783 HydrophobicContact CB-CG 4.3Å; F1776-P1783 HydrophobicContact CD1-CB 3.78Å; F1776-P1783 HydrophobicContact CD2-CB 3.75Å; F1776-P1783 HydrophobicContact CD2-CG 3.91Å; F1776-P1783 HydrophobicContact CE1-CB 4.05Å; F1776-P1783 HydrophobicContact CE2-CB 4.01Å; F1776-P1783 HydrophobicContact CE2-CG 4.41Å; F1776-P1783 HydrophobicContact CG-CB 3.61Å; F1776-P1783 HydrophobicContact CG-CG 4.05Å; F1776-P1783 HydrophobicContact CZ-CB 4.14Å |
| 1784 | G | 85.7 | Confident | 88 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 19% | 0.186 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1560 R1672 | R1560-G1784 VanDerWaalsContact CZ-O 3.28Å; R1560-G1784 PolarHBondContact NH1-O 3.36Å; R1560-G1784 PolarHBondContact NH2-O 2.95Å; R1672-G1784 WeakPolarHBondContact O-CA 3.45Å; R1672-G1784 PolarHBondContact O-N 3.17Å |
| 1785 | P | 88.3 | Confident | 87.4 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 139.1 | -178.3 | 24.6 | -32.4 | 0 | 0 | 0 | 111 | Q1670 | Q1670-P1785 VanDerWaalsContact CD-CG 3.5Å; Q1670-P1785 HydrophobicContact CG-CG 4.21Å |
| 1786 | P | 90.3 | Very high | 86.9 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 33% | 0.331 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 157.5 | 173.9 | 30.4 | -33.6 | 0 | 0 | 0 | 110 | Y1562 M1609 D1788 | Y1562-P1786 WeakPolarHBondContact OH-CA 3.28Å; M1609-P1786 HydrophobicContact CE-CB 3.79Å; M1609-P1786 HydrophobicContact CE-CG 3.92Å; P1786-D1788 PolarHBondContact O-N 3.25Å |
| 1787 | F | 89.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 59.9 Ų | 59.9 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 134.8 | 167.8 | -74.4 | -42.3 | 0 | 0 | 0 | 110.7 | W1456 Y1562 P1668 R1672 E1749 W1772 I1789 | W1456-F1787 AromaticContact CD1-CD2 3.6Å; W1456-F1787 AromaticContact CD1-CE2 3.87Å; W1456-F1787 AromaticContact CD1-CG 3.72Å; W1456-F1787 AromaticContact NE1-CD2 3.64Å; W1456-F1787 AromaticContact NE1-CE2 3.86Å; Y1562-F1787 HydrophobicContact CE1-CB 4.08Å; Y1562-F1787 PolarHBondContact OH-N 3.43Å; P1668-F1787 VanDerWaalsContact O-CE1 3.23Å; P1668-F1787 WeakPolarHBondContact O-CE1 3.45Å; R1672-F1787 HydrophobicContact CG-CE1 4.31Å; R1672-F1787 HydrophobicContact CG-CZ 4.34Å; E1749-F1787 WeakPolarHBondContact OE1-CE2 3.36Å; E1749-F1787 VanDerWaalsContact OE1-CZ 3.24Å; E1749-F1787 WeakPolarHBondContact OE1-CZ 3.43Å; W1772-F1787 HydrophobicContact CZ2-CD2 4.09Å; F1787-I1789 HydrophobicContact CB-CG2 3.98Å; F1787-I1789 PolarHBondContact O-N 3.35Å |
| 1788 | D | 86.7 | Confident | 86.5 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | trans | -79.3 | 106 | 162.8 | -171.6 | 3.9 | 0 | 0 | 0 | 108.5 | W1456 P1786 S1790 | W1456-D1788 WeakPolarHBondContact CB-O 3.4Å; P1786-D1788 PolarHBondContact O-N 3.25Å; D1788-S1790 WeakPolarHBondContact OD1-CB 3.42Å; D1788-S1790 PolarHBondContact OD1-N 2.96Å; D1788-S1790 PolarHBondContact OD1-OG 2.95Å | ||
| 1789 | I | 90.5 | Very high | 86.5 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | trans | -108.6 | 16.5 | 176 | 62.5 | 162.8 | 0 | 0 | 0 | 112.2 | W1456 W1457 Y1562 G1607 W1772 F1787 | W1456-I1789 HydrophobicContact CB-CG2 4.29Å; W1456-I1789 HydrophobicContact CD2-CB 4.33Å; W1456-I1789 HydrophobicContact CD2-CG2 3.34Å; W1456-I1789 HydrophobicContact CE3-CB 3.96Å; W1456-I1789 HydrophobicContact CE3-CG2 3.46Å; W1456-I1789 VanDerWaalsContact CE3-CG2 3.46Å; W1456-I1789 HydrophobicContact CG-CG2 3.71Å; W1456-I1789 HydrophobicContact CH2-CG2 4.37Å; W1456-I1789 HydrophobicContact CZ2-CG2 4.27Å; W1456-I1789 HydrophobicContact CZ3-CB 4.29Å; W1456-I1789 HydrophobicContact CZ3-CG2 3.98Å; W1457-I1789 PolarHBondContact NE1-O 2.9Å; Y1562-I1789 HydrophobicContact CD1-CD1 3.79Å; Y1562-I1789 HydrophobicContact CD1-CG1 4.16Å; Y1562-I1789 HydrophobicContact CD1-CG2 4.44Å; Y1562-I1789 HydrophobicContact CG-CD1 4.36Å; G1607-I1789 CarbonylContact C-O 3.5Å; G1607-I1789 WeakPolarHBondContact CA-O 2.97Å; G1607-I1789 CarbonylContact O-C 3.02Å; W1772-I1789 HydrophobicContact CH2-CD1 4.27Å; W1772-I1789 HydrophobicContact CH2-CG2 3.82Å; F1787-I1789 HydrophobicContact CB-CG2 3.98Å; F1787-I1789 PolarHBondContact O-N 3.35Å | ||
| 1790 | S | 87.2 | Confident | 86.7 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 135.8 | 176.2 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | W1457 D1788 | W1457-S1790 PolarHBondContact NE1-O 3.03Å; D1788-S1790 WeakPolarHBondContact OD1-CB 3.42Å; D1788-S1790 PolarHBondContact OD1-N 2.96Å; D1788-S1790 PolarHBondContact OD1-OG 2.95Å |
| 1791 | P | 82.7 | Confident | 87 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 145.6 | 176.6 | -24.9 | 35.5 | 0 | 0 | 0 | 111.2 | E1793 | P1791-E1793 PolarHBondContact O-N 3.31Š|
| 1792 | R | 81.7 | Confident | 87.5 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 134.8 | -179.2 | -69.8 | 171.3 | 172.7 | 169 | -4.5 | 110.8 | D1455 S1458 K1469 L1863 A1865 | D1455-R1792 IonicContact OD1-CZ 2.66Å; D1455-R1792 IonicContact OD1-NE 3.51Å; D1455-R1792 PolarHBondContact OD1-NE 3Å; D1455-R1792 IonicContact OD1-NH2 2.78Å; D1455-R1792 PolarHBondContact OD1-NH2 3.48Å; D1455-R1792 VanDerWaalsContact OD2-CG 3.25Å; D1455-R1792 WeakPolarHBondContact OD2-CG 3.14Å; D1455-R1792 IonicContact OD2-CZ 3.74Å; D1455-R1792 IonicContact OD2-NE 3.1Å; D1455-R1792 PolarHBondContact OD2-NE 3.22Å; D1455-R1792 IonicContact OD2-NH2 3.82Å; S1458-R1792 VanDerWaalsContact N-NH2 3.17Å; S1458-R1792 PolarHBondContact OG-NH2 3.42Å; K1469-R1792 PolarHBondContact O-NH1 3.09Å; K1469-R1792 PolarHBondContact O-NH2 3.38Å; R1792-L1863 HydrophobicContact CB-CD1 3.81Å; R1792-L1863 HydrophobicContact CB-CD2 4.04Å; R1792-L1863 HydrophobicContact CB-CG 4.25Å; R1792-L1863 VanDerWaalsContact O-CD1 3.22Å; R1792-L1863 WeakPolarHBondContact O-CD1 3.47Å; R1792-A1865 VanDerWaalsContact NH1-CB 3.26Å |
| 1793 | E | 78.4 | Confident | 88 | Confident | 172 Ų | 172 | 40.8 Ų | 40.8 | 80% | 0.804 | 23% | 0.226 | S | C | * | . | P | Polyproline II helix | trans | -91.9 | 135.5 | 176.3 | -66.9 | -170.8 | 168.3 | 0 | 0 | 112 | P1791 | P1791-E1793 PolarHBondContact O-N 3.31Š|
| 1794 | P | 80.8 | Confident | 88.2 | Confident | 25 Ų | 25 | 43 Ų | 43 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -80.7 | 145.6 | 179.4 | 34.2 | -36.6 | 0 | 0 | 0 | 111.6 | F1861 L1863 V1870 | P1794-F1861 HydrophobicContact CB-CB 3.94Å; P1794-F1861 HydrophobicContact CG-CB 4.05Å; P1794-F1861 HydrophobicContact CG-CD1 4.32Å; P1794-L1863 HydrophobicContact CB-CB 4.24Å; P1794-L1863 HydrophobicContact CB-CD1 4.1Å; P1794-V1870 HydrophobicContact CB-CB 3.96Å; P1794-V1870 HydrophobicContact CB-CG2 3.65Å; P1794-V1870 HydrophobicContact CG-CB 3.9Å; P1794-V1870 HydrophobicContact CG-CG1 4.12Å; P1794-V1870 HydrophobicContact CG-CG2 3.92Å |
| 1795 | N | 82.6 | Confident | 88.6 | Confident | 85 Ų | 85 | 43.4 Ų | 43.4 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 142.2 | 177.6 | -70.7 | -57.3 | 0 | 0 | 0 | 111 | Y1797 F1861 Y1862 | N1795-Y1797 HydrophobicContact CB-CD2 4.13Å; N1795-Y1797 HydrophobicContact CB-CE2 3.61Å; N1795-Y1797 WeakPolarHBondContact O-CD2 3.21Å; N1795-Y1797 PolarHBondContact O-N 2.92Å; N1795-F1861 CarbonylContact O-C 3.55Å; N1795-F1861 WeakPolarHBondContact O-CA 3.22Å; N1795-Y1862 PolarHBondContact N-O 3.17Å; N1795-Y1862 PolarHBondContact O-N 3.17Å |
| 1796 | E | 86.4 | Confident | 88.8 | Confident | 76 Ų | 76 | 40.5 Ų | 40.5 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121 | 173.4 | -72.7 | -170.7 | -118.1 | 0 | 0 | 111.6 | F1861 K1979 | E1796-F1861 VanDerWaalsContact CD-CE1 3.42Å; E1796-F1861 HydrophobicContact CG-CD1 3.36Å; E1796-F1861 HydrophobicContact CG-CE1 3.07Å; E1796-F1861 HydrophobicContact CG-CE2 4.45Å; E1796-F1861 HydrophobicContact CG-CG 4.18Å; E1796-F1861 HydrophobicContact CG-CZ 3.67Å; E1796-K1979 HydrophobicContact CB-CB 3.74Å; E1796-K1979 HydrophobicContact CB-CD 3.88Å; E1796-K1979 VanDerWaalsContact CD-CD 3.41Å; E1796-K1979 HydrophobicContact CG-CD 4.25Å; E1796-K1979 PolarHBondContact O-N 2.97Å; E1796-K1979 IonicContact OE1-NZ 2.69Å; E1796-K1979 PolarHBondContact OE1-NZ 3.33Å; E1796-K1979 WeakPolarHBondContact OE2-CD 3.34Å; E1796-K1979 WeakPolarHBondContact OE2-CE 3.42Å; E1796-K1979 IonicContact OE2-NZ 3.46Å; E1796-K1979 PolarHBondContact OE2-NZ 3.12Å |
| 1797 | Y | 89.1 | Confident | 88.8 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 7% | 0.071 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 154.4 | 174.4 | -75.1 | -88 | 0 | 0 | 0 | 111 | N1795 P1859 F1860 Y1862 L1976 V1977 T1978 | N1795-Y1797 HydrophobicContact CB-CD2 4.13Å; N1795-Y1797 HydrophobicContact CB-CE2 3.61Å; N1795-Y1797 WeakPolarHBondContact O-CD2 3.21Å; N1795-Y1797 PolarHBondContact O-N 2.92Å; Y1797-P1859 WeakPolarHBondContact O-CA 3.32Å; Y1797-F1860 PolarHBondContact N-O 2.8Å; Y1797-F1860 PolarHBondContact O-N 3.03Å; Y1797-Y1862 HydrophobicContact CD2-CD1 4.42Å; Y1797-Y1862 HydrophobicContact CE2-CD1 4.12Å; Y1797-L1976 HydrophobicContact CD1-CD1 4.2Å; Y1797-L1976 HydrophobicContact CD1-CD2 3.84Å; Y1797-L1976 HydrophobicContact CD1-CG 3.8Å; Y1797-L1976 HydrophobicContact CE1-CD2 4.13Å; Y1797-L1976 HydrophobicContact CE1-CG 4.45Å; Y1797-L1976 HydrophobicContact CG-CD1 4.45Å; Y1797-L1976 HydrophobicContact CG-CD2 4.5Å; Y1797-L1976 HydrophobicContact CG-CG 4.5Å; Y1797-V1977 CarbonylContact C-O 3.45Å; Y1797-V1977 WeakPolarHBondContact CA-O 3.49Å; Y1797-T1978 HydrophobicContact CD1-CG2 4.15Å; Y1797-T1978 HydrophobicContact CE1-CG2 3.64Å |
| 1798 | I | 90.7 | Very high | 88.8 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 114.7 | 171.3 | -66.5 | 163.3 | 0 | 0 | 0 | 107.3 | R1800 V1857 F1858 P1859 V1977 A1982 | I1798-R1800 HydrophobicContact CG2-CG 4.14Å; I1798-V1857 HydrophobicContact CG2-CG1 3.45Å; I1798-V1857 VanDerWaalsContact CG2-CG1 3.45Å; I1798-F1858 WeakPolarHBondContact CA-O 3.46Å; I1798-P1859 HydrophobicContact CG1-CB 4.08Å; I1798-V1977 HydrophobicContact CB-CG2 3.98Å; I1798-V1977 HydrophobicContact CG2-CG2 4.44Å; I1798-V1977 PolarHBondContact N-O 2.63Å; I1798-V1977 WeakPolarHBondContact O-CG2 3.36Å; I1798-V1977 PolarHBondContact O-N 3.34Å; I1798-V1977 VanDerWaalsContact O-N 3.07Å; I1798-A1982 HydrophobicContact CB-CB 4.46Å; I1798-A1982 HydrophobicContact CD1-CB 3.38Å; I1798-A1982 HydrophobicContact CG1-CB 4.42Å |
| 1799 | L | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.5 | 169.9 | 175.8 | 65.5 | 0 | 0 | 0 | 108.7 | L1830 V1857 F1858 F1860 L1891 L1914 L1944 M1974 L1976 | L1799-L1830 HydrophobicContact CD2-CD2 3.98Å; L1799-V1857 WeakPolarHBondContact O-CA 3.5Å; L1799-F1858 HydrophobicContact CB-CB 4.38Å; L1799-F1858 HydrophobicContact CD2-CD2 4.24Å; L1799-F1858 HydrophobicContact CG-CD2 4.48Å; L1799-F1858 PolarHBondContact N-O 2.78Å; L1799-F1858 PolarHBondContact O-N 3Å; L1799-F1860 HydrophobicContact CB-CE1 3.83Å; L1799-L1891 HydrophobicContact CD2-CD1 4.11Å; L1799-L1891 HydrophobicContact CD2-CD2 4.35Å; L1799-L1914 HydrophobicContact CD2-CD1 4.04Å; L1799-L1914 HydrophobicContact CD2-CD2 4.24Å; L1799-L1944 HydrophobicContact CD1-CD2 3.61Å; L1799-M1974 HydrophobicContact CD1-CB 4.31Å; L1799-M1974 HydrophobicContact CD1-CG 4.43Å; L1799-L1976 HydrophobicContact CB-CD1 4.09Å; L1799-L1976 HydrophobicContact CD1-CD1 4.34Å |
| 1800 | R | 93.2 | Very high | 88.6 | Confident | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.038 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117.7 | 173.3 | -59.9 | 173.9 | -176.5 | -169 | -6.1 | 108 | I1798 F1856 M1974 E1975 A1982 R1985 | I1798-R1800 HydrophobicContact CG2-CG 4.14Å; R1800-F1856 WeakPolarHBondContact CA-O 3.34Å; R1800-M1974 CarbonylContact O-C 3.56Å; R1800-M1974 WeakPolarHBondContact O-CA 3.32Å; R1800-E1975 HydrophobicContact CB-CB 4.39Å; R1800-E1975 PolarHBondContact N-O 3.03Å; R1800-E1975 PolarHBondContact O-N 2.98Å; R1800-A1982 VanDerWaalsContact NH2-CA 3.28Å; R1800-R1985 PolarHBondContact NH1-O 3.35Å; R1800-R1985 PolarHBondContact NH2-O 3.41Å |
| 1801 | L | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.4 | 178.1 | -178.9 | 74.8 | 0 | 0 | 0 | 109.2 | V1803 R1855 F1856 L1891 L1893 M1972 E1973 M1974 | L1801-V1803 HydrophobicContact CD2-CG2 4.22Å; L1801-V1803 HydrophobicContact CG-CG2 4.41Å; L1801-R1855 CarbonylContact O-C 3.54Å; L1801-R1855 WeakPolarHBondContact O-CA 3.42Å; L1801-F1856 HydrophobicContact CB-CB 4.26Å; L1801-F1856 HydrophobicContact CD2-CD2 3.84Å; L1801-F1856 HydrophobicContact CD2-CE2 4.44Å; L1801-F1856 PolarHBondContact N-O 3.04Å; L1801-F1856 PolarHBondContact O-N 2.71Å; L1801-L1891 HydrophobicContact CD2-CD2 4.41Å; L1801-L1893 HydrophobicContact CD2-CD1 3.93Å; L1801-L1893 HydrophobicContact CD2-CD2 3.6Å; L1801-L1893 HydrophobicContact CD2-CG 4.4Å; L1801-M1972 HydrophobicContact CD1-CB 4.01Å; L1801-M1972 HydrophobicContact CD1-CG 4.04Å; L1801-M1972 HydrophobicContact CD1-SD 3.67Å; L1801-M1972 HydrophobicContact CD2-SD 4.38Å; L1801-E1973 CarbonylContact C-O 3.17Å; L1801-E1973 WeakPolarHBondContact CA-O 3.27Å; L1801-M1974 HydrophobicContact CD1-CB 4.39Å; L1801-M1974 HydrophobicContact CD1-CG 3.2Å; L1801-M1974 HydrophobicContact CD1-SD 4.2Å |
| 1802 | V | 94 | Very high | 87.6 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 113.6 | 170.5 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | W1804 W1854 R1855 M1972 E1973 P1998 L2000 | V1802-W1804 HydrophobicContact CG1-CD2 3.89Å; V1802-W1804 HydrophobicContact CG1-CE3 4.42Å; V1802-W1804 HydrophobicContact CG1-CG 4.27Å; V1802-W1804 HydrophobicContact CG1-CH2 4.36Å; V1802-W1804 HydrophobicContact CG1-CZ2 3.82Å; V1802-W1804 PolarHBondContact O-N 3.32Å; V1802-W1854 CarbonylContact C-O 3.57Å; V1802-W1854 WeakPolarHBondContact CA-O 3.49Å; V1802-R1855 HydrophobicContact CG2-CG 4.17Å; V1802-M1972 CarbonylContact O-C 3.21Å; V1802-M1972 WeakPolarHBondContact O-CA 3.33Å; V1802-M1972 WeakPolarHBondContact O-CB 3.2Å; V1802-E1973 HydrophobicContact CB-CB 4.36Å; V1802-E1973 PolarHBondContact N-O 2.85Å; V1802-E1973 PolarHBondContact O-N 3.2Å; V1802-P1998 HydrophobicContact CG2-CG 4.43Å; V1802-L2000 HydrophobicContact CG1-CD1 4.28Å; V1802-L2000 HydrophobicContact CG1-CD2 3.73Å |
| 1803 | V | 94.9 | Very high | 87 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 106.8 | 168.6 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | L1801 V1826 T1839 F1852 N1853 W1854 F1856 I1970 | L1801-V1803 HydrophobicContact CD2-CG2 4.22Å; L1801-V1803 HydrophobicContact CG-CG2 4.41Å; V1803-V1826 HydrophobicContact CG1-CG2 4.42Å; V1803-T1839 HydrophobicContact CB-CG2 4.25Å; V1803-T1839 HydrophobicContact CG1-CG2 4.32Å; V1803-T1839 HydrophobicContact CG2-CG2 4.45Å; V1803-F1852 HydrophobicContact CG1-CB 4.45Å; V1803-F1852 HydrophobicContact CG1-CD2 3.86Å; V1803-F1852 HydrophobicContact CG1-CG 4.4Å; V1803-N1853 WeakPolarHBondContact O-CA 3.46Å; V1803-N1853 PolarHBondContact O-N 2.94Å; V1803-W1854 PolarHBondContact N-O 2.86Å; V1803-W1854 PolarHBondContact O-N 3.28Å; V1803-F1856 HydrophobicContact CG2-CD2 4.49Å; V1803-F1856 HydrophobicContact CG2-CE2 4.1Å; V1803-F1856 HydrophobicContact CG2-CZ 4.48Å; V1803-I1970 HydrophobicContact CG1-CD1 3.94Å; V1803-I1970 HydrophobicContact CG1-CG1 4.22Å; V1803-I1970 HydrophobicContact CG2-CD1 4.18Å |
| 1804 | W | 92.9 | Very high | 86.5 | Confident | 66 Ų | 66 | 40 Ų | 40 | 25% | 0.25 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -64.4 | 178.6 | -69.5 | 103.7 | 0 | 0 | 0 | 109.2 | V1802 F1852 N1853 E1971 E1973 L2000 | V1802-W1804 HydrophobicContact CG1-CD2 3.89Å; V1802-W1804 HydrophobicContact CG1-CE3 4.42Å; V1802-W1804 HydrophobicContact CG1-CG 4.27Å; V1802-W1804 HydrophobicContact CG1-CH2 4.36Å; V1802-W1804 HydrophobicContact CG1-CZ2 3.82Å; V1802-W1804 PolarHBondContact O-N 3.32Å; W1804-F1852 PolarHBondContact O-N 3.49Å; W1804-N1853 HydrophobicContact CE3-CB 4.44Å; W1804-N1853 VanDerWaalsContact CE3-OD1 3.32Å; W1804-N1853 HydrophobicContact CZ3-CB 4.43Å; W1804-N1853 PolarHBondContact O-N 3.16Å; W1804-E1971 HydrophobicContact CB-CB 4.41Å; W1804-E1971 HydrophobicContact CB-CG 4.11Å; W1804-E1971 PolarHBondContact N-O 3.1Å; W1804-E1973 PolarHBondContact NE1-OE2 3.22Å; W1804-L2000 HydrophobicContact CH2-CD2 3.61Å; W1804-L2000 HydrophobicContact CZ2-CD2 4.19Å; W1804-L2000 HydrophobicContact CZ3-CD2 3.96Å |
| 1805 | N | 92.8 | Very high | 85.6 | Confident | 27 Ų | 27 | 39.5 Ų | 39.5 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 164.8 | -174.9 | -55.4 | -60.5 | 0 | 0 | 0 | 112 | F1807 G1850 N1851 E1971 | N1805-F1807 HydrophobicContact CB-CD2 4.29Å; N1805-F1807 HydrophobicContact CB-CE2 3.52Å; N1805-F1807 HydrophobicContact CB-CZ 3.76Å; N1805-G1850 CarbonylContact C-O 3.46Å; N1805-G1850 WeakPolarHBondContact CA-O 3.24Å; N1805-G1850 VanDerWaalsContact CB-O 3.3Å; N1805-G1850 WeakPolarHBondContact CB-O 3.48Å; N1805-N1851 WeakPolarHBondContact OD1-CA 3.34Å; N1805-N1851 PolarHBondContact OD1-OD1 2.96Å; N1805-E1971 HydrophobicContact CB-CB 4.34Å; N1805-E1971 PolarHBondContact N-O 2.86Å; N1805-E1971 PolarHBondContact ND2-OE2 3.48Å; N1805-E1971 PolarHBondContact O-N 3.3Å |
| 1806 | T | 92.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 153.2 | 160.8 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | V1826 E1849 G1850 F1852 F1956 K1969 I1970 | T1806-V1826 HydrophobicContact CG2-CG2 3.77Å; T1806-E1849 CarbonylContact O-C 3.13Å; T1806-E1849 VanDerWaalsContact O-CA 3.23Å; T1806-E1849 WeakPolarHBondContact O-CA 3.36Å; T1806-G1850 PolarHBondContact N-O 2.82Å; T1806-G1850 PolarHBondContact O-N 3.06Å; T1806-G1850 VanDerWaalsContact OG1-CA 3.22Å; T1806-G1850 WeakPolarHBondContact OG1-CA 3.37Å; T1806-G1850 PolarHBondContact OG1-N 3.38Å; T1806-G1850 VanDerWaalsContact OG1-N 3.15Å; T1806-F1852 HydrophobicContact CG2-CE2 3.94Å; T1806-F1956 HydrophobicContact CG2-CE2 4.26Å; T1806-K1969 CarbonylContact C-O 3.54Å; T1806-K1969 WeakPolarHBondContact CA-O 3.21Å; T1806-I1970 HydrophobicContact CG2-CB 4.41Å; T1806-I1970 HydrophobicContact CG2-CG1 4.22Å |
| 1807 | F | 91.6 | Very high | 83.3 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.4 | -176.5 | -65.4 | -80.2 | 0 | 0 | 0 | 110.4 | N1805 V1809 G1848 E1849 R1924 F1953 G1968 K1969 E1971 | N1805-F1807 HydrophobicContact CB-CD2 4.29Å; N1805-F1807 HydrophobicContact CB-CE2 3.52Å; N1805-F1807 HydrophobicContact CB-CZ 3.76Å; F1807-V1809 PolarHBondContact O-N 3.06Å; F1807-V1809 VanDerWaalsContact O-N 3.13Å; F1807-G1848 CarbonylContact C-O 3.57Å; F1807-G1848 WeakPolarHBondContact CA-O 3.45Å; F1807-E1849 HydrophobicContact CD1-CB 4.46Å; F1807-E1849 HydrophobicContact CD1-CG 3.72Å; F1807-E1849 WeakPolarHBondContact CD1-OE1 3.07Å; F1807-E1849 HydrophobicContact CE1-CG 4.19Å; F1807-R1924 HydrophobicContact CB-CG 4.31Å; F1807-F1953 HydrophobicContact CD2-CD1 4.24Å; F1807-F1953 AromaticContact CD2-CE1 3.71Å; F1807-F1953 HydrophobicContact CD2-CE1 3.71Å; F1807-F1953 AromaticContact CE2-CE1 3.62Å; F1807-F1953 HydrophobicContact CE2-CE1 3.62Å; F1807-F1953 HydrophobicContact CE2-CZ 4.43Å; F1807-G1968 CarbonylContact O-C 3.2Å; F1807-K1969 HydrophobicContact CB-CB 4.45Å; F1807-K1969 PolarHBondContact N-O 3.14Å; F1807-K1969 PolarHBondContact O-N 3.13Å; F1807-E1971 HydrophobicContact CD2-CB 4.49Å; F1807-E1971 HydrophobicContact CE2-CB 4.04Å |
| 1808 | D | 89.2 | Confident | 82.1 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 55.5 | 26.7 | 178 | -55.9 | -45.1 | 0 | 0 | 0 | 112.6 | G1848 R1924 G1968 K1969 | D1808-G1848 PolarHBondContact N-O 3.31Å; D1808-R1924 IonicContact OD1-CZ 3.62Å; D1808-R1924 IonicContact OD1-NE 2.81Å; D1808-R1924 IonicContact OD1-NH2 3.95Å; D1808-R1924 PolarHBondContact OD1-NH2 2.91Å; D1808-R1924 IonicContact OD2-CZ 3.47Å; D1808-R1924 IonicContact OD2-NE 3.78Å; D1808-R1924 PolarHBondContact OD2-NE 3.49Å; D1808-R1924 VanDerWaalsContact OD2-NE 3.1Å; D1808-R1924 IonicContact OD2-NH2 3.47Å; D1808-G1968 WeakPolarHBondContact O-CA 3.29Å; D1808-K1969 HydrophobicContact CB-CD 4.43Å; D1808-K1969 WeakPolarHBondContact OD2-CD 3.27Å; D1808-K1969 VanDerWaalsContact OD2-CE 3.26Å; D1808-K1969 WeakPolarHBondContact OD2-CE 3.47Å; D1808-K1969 IonicContact OD2-NZ 2.67Å; D1808-K1969 PolarHBondContact OD2-NZ 2.8Å |
| 1809 | V | 88.4 | Confident | 81 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | trans | -69 | 133.5 | 176.7 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | F1807 I1824 G1848 V1895 I1907 T1967 | F1807-V1809 PolarHBondContact O-N 3.06Å; F1807-V1809 VanDerWaalsContact O-N 3.13Å; V1809-I1824 HydrophobicContact CB-CD1 3.71Å; V1809-I1824 HydrophobicContact CB-CG1 4.44Å; V1809-I1824 HydrophobicContact CG1-CD1 3.88Å; V1809-I1824 HydrophobicContact CG1-CG1 4.06Å; V1809-I1824 HydrophobicContact CG1-CG2 4.31Å; V1809-I1824 HydrophobicContact CG2-CD1 4.04Å; V1809-I1824 HydrophobicContact CG2-CG2 4.38Å; V1809-G1848 WeakPolarHBondContact CB-O 3.42Å; V1809-G1848 WeakPolarHBondContact CG2-O 3.38Å; V1809-G1848 PolarHBondContact N-O 3.45Å; V1809-G1848 VanDerWaalsContact N-O 3.08Å; V1809-G1848 VanDerWaalsContact O-CA 3.31Å; V1809-G1848 WeakPolarHBondContact O-CA 3.36Å; V1809-V1895 HydrophobicContact CG1-CG2 4.09Å; V1809-V1895 HydrophobicContact CG2-CG2 4.4Å; V1809-I1907 HydrophobicContact CG1-CD1 3.74Å; V1809-I1907 HydrophobicContact CG1-CG2 3.97Å; V1809-T1967 WeakPolarHBondContact CA-O 3.38Å | ||
| 1810 | V | 84.4 | Confident | 80.2 | Confident | 59 Ų | 59 | 51 Ų | 51 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | trans | -58.3 | 137.7 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | D1812 S1822 I1907 T1967 | V1810-D1812 WeakPolarHBondContact CG1-OD1 3.09Å; V1810-S1822 PolarHBondContact O-OG 3.41Å; V1810-I1907 HydrophobicContact CB-CG2 4.33Å; V1810-T1967 HydrophobicContact CG2-CG2 4.36Å; V1810-T1967 PolarHBondContact N-O 2.98Å | ||
| 1811 | L | 79.3 | Confident | 79.6 | Confident | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | trans | -101.8 | 101.3 | -178.1 | -60.7 | 178.7 | 0 | 0 | 0 | 109.2 | Q1820 S1822 S1845 L1846 | L1811-Q1820 HydrophobicContact CB-CB 4.02Å; L1811-Q1820 HydrophobicContact CD1-CB 4.24Å; L1811-S1822 WeakPolarHBondContact CA-OG 3.38Å; L1811-S1845 VanDerWaalsContact CD2-O 3.27Å; L1811-S1845 WeakPolarHBondContact CD2-O 3.22Å; L1811-L1846 WeakPolarHBondContact CD1-O 3.39Å | ||
| 1812 | D | 68.8 | Low | 79.1 | Confident | 88 Ų | 88 | 51 Ų | 51 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | trans | -93.1 | -24 | -171.5 | -75.6 | -31.9 | 0 | 0 | 0 | 113.6 | V1810 S1822 | V1810-D1812 WeakPolarHBondContact CG1-OD1 3.09Å; D1812-S1822 PolarHBondContact N-OG 2.68Å | ||
| 1813 | E | 69.3 | Low | 78.8 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 159.4 | 175.9 | -64.7 | -161.7 | 128.5 | 0 | 0 | 113.9 | Q1820 M1821 | E1813-Q1820 CarbonylContact O-C 3.59Å; E1813-Q1820 WeakPolarHBondContact O-CA 3.09Å; E1813-M1821 CarbonylContact C-O 3.55Å; E1813-M1821 WeakPolarHBondContact CA-O 3.22Å; E1813-M1821 HydrophobicContact CB-CG 4.31Å; E1813-M1821 VanDerWaalsContact CB-O 3.25Å; E1813-M1821 WeakPolarHBondContact CB-O 3.29Å; E1813-M1821 PolarHBondContact N-O 3.05Å; E1813-M1821 PolarHBondContact O-N 3.48Å |
| 1814 | K | 67.8 | Low | 78.6 | Confident | 157 Ų | 157 | 51.8 Ų | 51.8 | 68% | 0.683 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.5 | 164.3 | -78.7 | 178.1 | -178.2 | 169.2 | 0 | 110.1 | E1819 Q1820 | K1814-E1819 CarbonylContact C-O 3.59Å; K1814-Q1820 HydrophobicContact CG-CG 3.97Å |
| 1815 | S | 63.1 | Low | 78.6 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | trans | -58.6 | 160.7 | 173 | 82.5 | 0 | 0 | 0 | 0 | 112.2 | T1817 G1818 E1819 M1821 | S1815-T1817 PolarHBondContact O-N 2.99Å; S1815-T1817 PolarHBondContact OG-N 3.37Å; S1815-T1817 VanDerWaalsContact OG-N 3.16Å; S1815-T1817 PolarHBondContact OG-OG1 2.96Å; S1815-G1818 WeakPolarHBondContact O-CA 3.12Å; S1815-G1818 PolarHBondContact O-N 3.01Å; S1815-E1819 WeakPolarHBondContact CB-O 3.15Å; S1815-E1819 PolarHBondContact N-O 2.79Å; S1815-E1819 PolarHBondContact OG-N 2.79Å; S1815-E1819 PolarHBondContact OG-O 2.93Å; S1815-M1821 VanDerWaalsContact CB-SD 3.53Å | ||
| 1816 | I | 61.3 | Low | 78.7 | Confident | 141 Ų | 141 | 47.6 Ų | 47.6 | 72% | 0.723 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -22.6 | 172.4 | -58.4 | 165.2 | 0 | 0 | 0 | 112.3 | W2012 | I1816-W2012 HydrophobicContact CD1-CZ2 4.48Š|
| 1817 | T | 58.9 | Low | 78.8 | Confident | 63 Ų | 63 | 50 Ų | 50 | 39% | 0.387 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.9 | 175.9 | 72.1 | 0 | 0 | 0 | 0 | 114.3 | S1815 E1819 I2023 K2027 | S1815-T1817 PolarHBondContact O-N 2.99Å; S1815-T1817 PolarHBondContact OG-N 3.37Å; S1815-T1817 VanDerWaalsContact OG-N 3.16Å; S1815-T1817 PolarHBondContact OG-OG1 2.96Å; T1817-E1819 VanDerWaalsContact C-N 3.34Å; T1817-I2023 HydrophobicContact CG2-CG2 4.18Å; T1817-K2027 PolarHBondContact OG1-NZ 3.39Å |
| 1818 | G | 63.2 | Low | 78.9 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 55% | 0.546 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 85 | -4.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1815 | S1815-G1818 WeakPolarHBondContact O-CA 3.12Å; S1815-G1818 PolarHBondContact O-N 3.01Å |
| 1819 | E | 68.5 | Low | 79.1 | Confident | 80 Ų | 80 | 46.9 Ų | 46.9 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | trans | -74.3 | 131.1 | 177.4 | -66.2 | 172.4 | -177 | 0 | 0 | 110.9 | K1814 S1815 T1817 L1846 K2027 | K1814-E1819 CarbonylContact C-O 3.59Å; S1815-E1819 WeakPolarHBondContact CB-O 3.15Å; S1815-E1819 PolarHBondContact N-O 2.79Å; S1815-E1819 PolarHBondContact OG-N 2.79Å; S1815-E1819 PolarHBondContact OG-O 2.93Å; T1817-E1819 VanDerWaalsContact C-N 3.34Å; E1819-L1846 HydrophobicContact CB-CD2 4.27Å; E1819-K2027 IonicContact OE1-NZ 3.84Å; E1819-K2027 PolarHBondContact OE1-NZ 3.24Å | ||
| 1820 | Q | 76.2 | Confident | 79.2 | Confident | 113 Ų | 113 | 46.7 Ų | 46.7 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 137.6 | 171.9 | -73.4 | -179.9 | -57.1 | 0 | 0 | 110.6 | L1811 E1813 K1814 | L1811-Q1820 HydrophobicContact CB-CB 4.02Å; L1811-Q1820 HydrophobicContact CD1-CB 4.24Å; E1813-Q1820 CarbonylContact O-C 3.59Å; E1813-Q1820 WeakPolarHBondContact O-CA 3.09Å; K1814-Q1820 HydrophobicContact CG-CG 3.97Å |
| 1821 | M | 79.1 | Confident | 79 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 4% | 0.044 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 164.5 | -179.7 | 64.3 | -179.9 | 35.3 | 0 | 0 | 111.2 | E1813 S1815 R1844 S1845 L1846 | E1813-M1821 CarbonylContact C-O 3.55Å; E1813-M1821 WeakPolarHBondContact CA-O 3.22Å; E1813-M1821 HydrophobicContact CB-CG 4.31Å; E1813-M1821 VanDerWaalsContact CB-O 3.25Å; E1813-M1821 WeakPolarHBondContact CB-O 3.29Å; E1813-M1821 PolarHBondContact N-O 3.05Å; E1813-M1821 PolarHBondContact O-N 3.48Å; S1815-M1821 VanDerWaalsContact CB-SD 3.53Å; M1821-R1844 HydrophobicContact CE-CB 3.95Å; M1821-R1844 HydrophobicContact CE-CG 3.89Å; M1821-R1844 HydrophobicContact SD-CB 4.27Å; M1821-R1844 HydrophobicContact SD-CG 3.79Å; M1821-S1845 VanDerWaalsContact CA-O 3.23Å; M1821-S1845 WeakPolarHBondContact CA-O 3.34Å; M1821-L1846 HydrophobicContact CB-CD2 3.92Å; M1821-L1846 HydrophobicContact CE-CD2 3.45Å; M1821-L1846 VanDerWaalsContact CE-CD2 3.45Å |
| 1822 | S | 85 | Confident | 78.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 148.9 | 166.6 | -75.7 | 0 | 0 | 0 | 0 | 110.4 | V1810 L1811 D1812 I1824 S1845 D1897 | V1810-S1822 PolarHBondContact O-OG 3.41Å; L1811-S1822 WeakPolarHBondContact CA-OG 3.38Å; D1812-S1822 PolarHBondContact N-OG 2.68Å; S1822-I1824 PolarHBondContact O-N 2.86Å; S1822-S1845 PolarHBondContact N-O 3.25Å; S1822-S1845 VanDerWaalsContact N-O 3.13Å; S1822-S1845 VanDerWaalsContact O-CB 3.29Å; S1822-S1845 WeakPolarHBondContact O-CB 3.1Å; S1822-S1845 PolarHBondContact O-N 2.83Å; S1822-D1897 WeakPolarHBondContact CB-OD2 3.37Å; S1822-D1897 PolarHBondContact OG-OD2 2.53Å |
| 1823 | D | 86.8 | Confident | 79.4 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 74.4 | 175.8 | -72.7 | -18.4 | 0 | 0 | 0 | 109.3 | V1841 Y1843 R1844 D1897 N1898 | D1823-V1841 HydrophobicContact CB-CG1 3.94Å; D1823-V1841 WeakPolarHBondContact O-CG1 3.22Å; D1823-Y1843 HydrophobicContact CB-CD1 4.04Å; D1823-Y1843 HydrophobicContact CB-CE1 4.35Å; D1823-Y1843 VanDerWaalsContact OD1-CA 3.24Å; D1823-Y1843 WeakPolarHBondContact OD1-CA 3.06Å; D1823-Y1843 WeakPolarHBondContact OD2-CD1 3.39Å; D1823-R1844 PolarHBondContact OD1-N 3.24Å; D1823-D1897 WeakPolarHBondContact CA-OD1 3.34Å; D1823-D1897 PolarHBondContact N-OD1 3Å; D1823-N1898 HydrophobicContact CB-CB 3.99Å; D1823-N1898 WeakPolarHBondContact CB-O 3.37Å; D1823-N1898 WeakPolarHBondContact O-CB 2.99Å; D1823-N1898 PolarHBondContact O-N 3.03Å |
| 1824 | I | 90.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 135.9 | -163.4 | -53.5 | 166 | 0 | 0 | 0 | 112 | V1809 S1822 H1842 F1852 V1895 W1896 | V1809-I1824 HydrophobicContact CB-CD1 3.71Å; V1809-I1824 HydrophobicContact CB-CG1 4.44Å; V1809-I1824 HydrophobicContact CG1-CD1 3.88Å; V1809-I1824 HydrophobicContact CG1-CG1 4.06Å; V1809-I1824 HydrophobicContact CG1-CG2 4.31Å; V1809-I1824 HydrophobicContact CG2-CD1 4.04Å; V1809-I1824 HydrophobicContact CG2-CG2 4.38Å; S1822-I1824 PolarHBondContact O-N 2.86Å; I1824-H1842 PolarHBondContact N-O 3.13Å; I1824-H1842 PolarHBondContact O-N 2.81Å; I1824-F1852 HydrophobicContact CB-CZ 4.48Å; I1824-F1852 HydrophobicContact CG2-CZ 4.1Å; I1824-F1852 WeakPolarHBondContact O-CE1 3.21Å; I1824-F1852 WeakPolarHBondContact O-CZ 3.29Å; I1824-V1895 HydrophobicContact CG2-CG2 3.64Å; I1824-W1896 WeakPolarHBondContact CA-O 3.2Å |
| 1825 | Y | 93.4 | Very high | 80.2 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 163.8 | 163.4 | 77.3 | -82.3 | 0 | 0 | 0 | 112.4 | K1827 K1838 V1841 W1896 N1898 D1904 | Y1825-K1827 HydrophobicContact CD2-CG 4.33Å; Y1825-K1827 HydrophobicContact CE2-CD 4.18Å; Y1825-K1827 HydrophobicContact CE2-CG 3.66Å; Y1825-K1827 WeakPolarHBondContact OH-CE 3.4Å; Y1825-K1827 PolarHBondContact OH-NZ 2.67Å; Y1825-K1838 HydrophobicContact CD2-CB 4.32Å; Y1825-K1838 HydrophobicContact CE2-CB 4.39Å; Y1825-K1838 HydrophobicContact CE2-CD 4.31Å; Y1825-V1841 HydrophobicContact CD1-CG2 4.4Å; Y1825-V1841 HydrophobicContact CG-CG2 4.4Å; Y1825-W1896 HydrophobicContact CD1-CB 3.89Å; Y1825-W1896 HydrophobicContact CE1-CB 3.35Å; Y1825-W1896 HydrophobicContact CE1-CG 4.3Å; Y1825-W1896 HydrophobicContact CE2-CB 4.13Å; Y1825-W1896 HydrophobicContact CE2-CG 4.41Å; Y1825-W1896 HydrophobicContact CG-CB 4.5Å; Y1825-W1896 VanDerWaalsContact CZ-CB 3.48Å; Y1825-W1896 AromaticContact CZ-CG 3.95Å; Y1825-W1896 PolarHBondContact N-O 2.79Å; Y1825-W1896 PolarHBondContact O-N 3.49Å; Y1825-N1898 HydrophobicContact CD1-CB 3.88Å; Y1825-N1898 HydrophobicContact CE1-CB 4.01Å; Y1825-D1904 HydrophobicContact CE1-CB 4.24Å; Y1825-D1904 WeakPolarHBondContact CE1-OD2 3.07Å; Y1825-D1904 VanDerWaalsContact CZ-OD2 3.32Å; Y1825-D1904 PolarHBondContact OH-OD2 2.84Å |
| 1826 | V | 95.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.4 | -177.7 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | V1803 T1806 K1838 T1839 F1852 Q1894 F1956 I1970 | V1803-V1826 HydrophobicContact CG1-CG2 4.42Å; T1806-V1826 HydrophobicContact CG2-CG2 3.77Å; V1826-K1838 CarbonylContact O-C 3.48Å; V1826-K1838 VanDerWaalsContact O-CA 3.22Å; V1826-K1838 WeakPolarHBondContact O-CA 3.44Å; V1826-T1839 HydrophobicContact CB-CG2 4.06Å; V1826-T1839 PolarHBondContact N-OG1 2.93Å; V1826-T1839 PolarHBondContact O-N 3.22Å; V1826-F1852 HydrophobicContact CG2-CE2 4.36Å; V1826-Q1894 CarbonylContact C-O 3.59Å; V1826-Q1894 VanDerWaalsContact CA-O 3.27Å; V1826-Q1894 WeakPolarHBondContact CA-O 3.45Å; V1826-Q1894 WeakPolarHBondContact CG1-O 3.33Å; V1826-F1956 HydrophobicContact CG1-CZ 4.29Å; V1826-I1970 HydrophobicContact CG1-CD1 4.04Å; V1826-I1970 HydrophobicContact CG2-CD1 4.37Å |
| 1827 | K | 94.6 | Very high | 83 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 148.7 | 169.5 | -67.1 | -178.4 | 177.2 | 129.4 | 0 | 110.3 | Y1825 W1829 Q1837 K1838 L1893 Q1894 | Y1825-K1827 HydrophobicContact CD2-CG 4.33Å; Y1825-K1827 HydrophobicContact CE2-CD 4.18Å; Y1825-K1827 HydrophobicContact CE2-CG 3.66Å; Y1825-K1827 WeakPolarHBondContact OH-CE 3.4Å; Y1825-K1827 PolarHBondContact OH-NZ 2.67Å; K1827-W1829 HydrophobicContact CB-CZ3 4.43Å; K1827-Q1837 CarbonylContact C-O 3.5Å; K1827-Q1837 VanDerWaalsContact CA-O 3.29Å; K1827-Q1837 WeakPolarHBondContact CA-O 3.45Å; K1827-K1838 HydrophobicContact CG-CB 4.02Å; K1827-L1893 CarbonylContact O-C 3.48Å; K1827-L1893 VanDerWaalsContact O-CA 3.31Å; K1827-L1893 WeakPolarHBondContact O-CA 3.37Å; K1827-Q1894 HydrophobicContact CB-CB 4.49Å; K1827-Q1894 PolarHBondContact N-O 3.25Å; K1827-Q1894 PolarHBondContact O-N 3.47Å |
| 1828 | G | 94 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 146.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1837 F1858 V1892 | G1828-Q1837 PolarHBondContact N-O 2.93Å; G1828-Q1837 PolarHBondContact O-N 3.4Å; G1828-F1858 WeakPolarHBondContact O-CE1 3.41Å; G1828-F1858 VanDerWaalsContact O-CZ 3.32Å; G1828-F1858 WeakPolarHBondContact O-CZ 3.48Å; G1828-V1892 CarbonylContact C-O 3.52Å; G1828-V1892 VanDerWaalsContact CA-O 3.24Å; G1828-V1892 WeakPolarHBondContact CA-O 3.19Å |
| 1829 | W | 94.1 | Very high | 86.1 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 11% | 0.114 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 165.5 | 174.7 | 64.9 | 99 | 0 | 0 | 0 | 112 | K1827 R1836 V1892 Q1894 | K1827-W1829 HydrophobicContact CB-CZ3 4.43Å; W1829-R1836 HydrophobicContact CB-CB 4.48Å; W1829-R1836 HydrophobicContact CB-CG 3.98Å; W1829-R1836 HydrophobicContact CD2-CG 4.06Å; W1829-R1836 HydrophobicContact CE3-CG 4.13Å; W1829-R1836 HydrophobicContact CG-CG 4Å; W1829-V1892 HydrophobicContact CD2-CB 4.13Å; W1829-V1892 HydrophobicContact CD2-CG1 4.45Å; W1829-V1892 HydrophobicContact CH2-CB 4.41Å; W1829-V1892 HydrophobicContact CH2-CG1 3.7Å; W1829-V1892 HydrophobicContact CZ2-CB 3.88Å; W1829-V1892 HydrophobicContact CZ2-CG1 3.43Å; W1829-V1892 VanDerWaalsContact CZ2-CG1 3.43Å; W1829-V1892 HydrophobicContact CZ3-CG1 4.3Å; W1829-V1892 PolarHBondContact N-O 3.16Å; W1829-V1892 PolarHBondContact O-N 3.07Å; W1829-Q1894 VanDerWaalsContact CH2-CD 3.5Å; W1829-Q1894 HydrophobicContact CH2-CG 4.04Å; W1829-Q1894 HydrophobicContact CZ3-CG 4.21Å |
| 1830 | L | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.9 | 167.6 | -67 | 169.9 | 0 | 0 | 0 | 109.8 | L1799 G1832 L1833 F1858 F1860 I1869 Q1890 L1891 L1914 | L1799-L1830 HydrophobicContact CD2-CD2 3.98Å; L1830-G1832 PolarHBondContact O-N 2.75Å; L1830-L1833 HydrophobicContact CB-CD1 3.88Å; L1830-L1833 HydrophobicContact CB-CG 4.36Å; L1830-L1833 HydrophobicContact CD1-CD1 3.95Å; L1830-L1833 HydrophobicContact CG-CD1 4.47Å; L1830-L1833 PolarHBondContact O-N 3.4Å; L1830-F1858 HydrophobicContact CD1-CB 3.76Å; L1830-F1858 HydrophobicContact CD1-CG 4.48Å; L1830-F1858 HydrophobicContact CG-CB 4.24Å; L1830-F1858 HydrophobicContact CG-CG 4.45Å; L1830-F1860 HydrophobicContact CD1-CB 4.18Å; L1830-F1860 HydrophobicContact CD1-CD1 3.57Å; L1830-F1860 HydrophobicContact CD1-CE1 4.01Å; L1830-F1860 HydrophobicContact CD1-CG 3.86Å; L1830-I1869 HydrophobicContact CB-CD1 4.45Å; L1830-I1869 HydrophobicContact CD1-CD1 4.24Å; L1830-Q1890 CarbonylContact C-O 3.6Å; L1830-Q1890 WeakPolarHBondContact CA-O 3.38Å; L1830-L1891 HydrophobicContact CD2-CB 3.97Å; L1830-L1891 HydrophobicContact CD2-CD1 4.06Å; L1830-L1914 HydrophobicContact CD2-CD1 3.79Å |
| 1831 | A | 80.4 | Confident | 87.6 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 17% | 0.165 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 127.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1890 | A1831-Q1890 HydrophobicContact CB-CB 3.91Å; A1831-Q1890 PolarHBondContact N-O 3.35Å |
| 1832 | G | 74.8 | Confident | 88.1 | Confident | 39 Ų | 39 | 38.9 Ų | 38.9 | 40% | 0.402 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -15.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1830 I1871 | L1830-G1832 PolarHBondContact O-N 2.75Å; G1832-I1871 WeakPolarHBondContact O-CD1 3.37Å |
| 1833 | L | 80.6 | Confident | 88 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 19% | 0.194 | 21% | 0.205 | C | C | . | . | trans | -94.9 | 142.3 | 173.2 | -61.6 | 177.5 | 0 | 0 | 0 | 111.7 | L1830 F1860 I1871 | L1830-L1833 HydrophobicContact CB-CD1 3.88Å; L1830-L1833 HydrophobicContact CB-CG 4.36Å; L1830-L1833 HydrophobicContact CD1-CD1 3.95Å; L1830-L1833 HydrophobicContact CG-CD1 4.47Å; L1830-L1833 PolarHBondContact O-N 3.4Å; L1833-F1860 HydrophobicContact CD1-CB 3.91Å; L1833-I1871 HydrophobicContact CD2-CG1 4.3Å; L1833-I1871 HydrophobicContact CD2-CG2 4.37Å | ||
| 1834 | D | 72.1 | Confident | 87.7 | Confident | 158 Ų | 158 | 42.3 Ų | 42.3 | 85% | 0.845 | 21% | 0.207 | S | C | * | . | trans | -81.4 | -12.6 | 179.3 | -68.4 | -31.7 | 0 | 0 | 0 | 114.1 | R1836 | D1834-R1836 PolarHBondContact O-N 3.39Š| ||
| 1835 | D | 82.4 | Confident | 87.4 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | trans | -75 | 79.7 | -177.4 | -172 | 19.1 | 0 | 0 | 0 | 112.1 | Q1837 F1858 K1989 | D1835-Q1837 PolarHBondContact OD2-NE2 3.48Å; D1835-F1858 WeakPolarHBondContact O-CE1 3.31Å; D1835-K1989 IonicContact OD1-NZ 2.69Å; D1835-K1989 PolarHBondContact OD1-NZ 2.64Å; D1835-K1989 IonicContact OD2-NZ 2.66Å; D1835-K1989 PolarHBondContact OD2-NZ 2.83Å | ||
| 1836 | R | 88.7 | Confident | 86.8 | Confident | 176 Ų | 176 | 46.2 Ų | 46.2 | 66% | 0.664 | 23% | 0.228 | S | C | * | . | trans | -83.4 | 111.7 | 173.8 | -60.2 | -174.3 | -178.6 | -172 | 0.8 | 111.1 | W1829 D1834 | W1829-R1836 HydrophobicContact CB-CB 4.48Å; W1829-R1836 HydrophobicContact CB-CG 3.98Å; W1829-R1836 HydrophobicContact CD2-CG 4.06Å; W1829-R1836 HydrophobicContact CE3-CG 4.13Å; W1829-R1836 HydrophobicContact CG-CG 4Å; D1834-R1836 PolarHBondContact O-N 3.39Å | ||
| 1837 | Q | 93.7 | Very high | 86.1 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 152.6 | -178.9 | -62.1 | -178.8 | 32.1 | 0 | 0 | 111.1 | K1827 G1828 D1835 F1856 V1857 F1858 | K1827-Q1837 CarbonylContact C-O 3.5Å; K1827-Q1837 VanDerWaalsContact CA-O 3.29Å; K1827-Q1837 WeakPolarHBondContact CA-O 3.45Å; G1828-Q1837 PolarHBondContact N-O 2.93Å; G1828-Q1837 PolarHBondContact O-N 3.4Å; D1835-Q1837 PolarHBondContact OD2-NE2 3.48Å; Q1837-F1856 HydrophobicContact CB-CB 4.43Å; Q1837-F1856 HydrophobicContact CB-CD1 3.64Å; Q1837-F1856 HydrophobicContact CB-CE1 3.96Å; Q1837-F1856 HydrophobicContact CB-CG 3.99Å; Q1837-F1856 VanDerWaalsContact OE1-CA 3.23Å; Q1837-V1857 PolarHBondContact NE2-O 3.21Å; Q1837-V1857 VanDerWaalsContact OE1-N 3.13Å; Q1837-F1858 HydrophobicContact CB-CE1 4.1Å; Q1837-F1858 HydrophobicContact CB-CZ 4.26Å; Q1837-F1858 HydrophobicContact CG-CE1 3.81Å; Q1837-F1858 HydrophobicContact CG-CZ 4.42Å |
| 1838 | K | 93.8 | Very high | 85.6 | Confident | 129 Ų | 129 | 48 Ų | 48 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.4 | 177.9 | 67.6 | 179.3 | 180 | 175.7 | 0 | 112.3 | Y1825 V1826 K1827 W1854 F1856 | Y1825-K1838 HydrophobicContact CD2-CB 4.32Å; Y1825-K1838 HydrophobicContact CE2-CB 4.39Å; Y1825-K1838 HydrophobicContact CE2-CD 4.31Å; V1826-K1838 CarbonylContact O-C 3.48Å; V1826-K1838 VanDerWaalsContact O-CA 3.22Å; V1826-K1838 WeakPolarHBondContact O-CA 3.44Å; K1827-K1838 HydrophobicContact CG-CB 4.02Å; K1838-W1854 PolarHBondContact O-NE1 2.9Å; K1838-F1856 VanDerWaalsContact C-CE1 3.5Å |
| 1839 | T | 93.4 | Very high | 85.3 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 173.8 | 175.2 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | V1803 V1826 F1852 W1854 F1856 | V1803-T1839 HydrophobicContact CB-CG2 4.25Å; V1803-T1839 HydrophobicContact CG1-CG2 4.32Å; V1803-T1839 HydrophobicContact CG2-CG2 4.45Å; V1826-T1839 HydrophobicContact CB-CG2 4.06Å; V1826-T1839 PolarHBondContact N-OG1 2.93Å; V1826-T1839 PolarHBondContact O-N 3.22Å; T1839-F1852 HydrophobicContact CG2-CB 4.4Å; T1839-F1852 HydrophobicContact CG2-CD1 4.26Å; T1839-F1852 HydrophobicContact CG2-CG 4.26Å; T1839-F1852 WeakPolarHBondContact OG1-CD1 3.38Å; T1839-F1852 WeakPolarHBondContact OG1-CE1 3.37Å; T1839-W1854 HydrophobicContact CG2-CB 3.86Å; T1839-W1854 HydrophobicContact CG2-CG 3.85Å; T1839-F1856 HydrophobicContact CG2-CE1 3.99Å; T1839-F1856 HydrophobicContact CG2-CZ 3.69Å |
| 1840 | D | 88.7 | Confident | 85.1 | Confident | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 168.7 | 157.6 | 67.1 | -14.6 | 0 | 0 | 0 | 110.9 | F1852 W1854 R1991 R2005 | D1840-F1852 VanDerWaalsContact O-CD1 3.24Å; D1840-F1852 WeakPolarHBondContact O-CD1 3.44Å; D1840-F1852 WeakPolarHBondContact O-CE1 3.39Å; D1840-W1854 HydrophobicContact CB-CE3 4.07Å; D1840-W1854 HydrophobicContact CB-CH2 4.22Å; D1840-W1854 HydrophobicContact CB-CZ3 3.59Å; D1840-R1991 VanDerWaalsContact CG-NH2 3.32Å; D1840-R1991 IonicContact OD1-NH2 2.64Å; D1840-R1991 IonicContact OD2-CZ 2.81Å; D1840-R1991 IonicContact OD2-NH2 3.06Å; D1840-R1991 PolarHBondContact OD2-NH2 2.91Å; D1840-R2005 IonicContact OD1-CZ 2.65Å; D1840-R2005 IonicContact OD1-NH2 3.73Å; D1840-R2005 PolarHBondContact OD1-NH2 3.43Å; D1840-R2005 IonicContact OD2-CZ 2.99Å; D1840-R2005 IonicContact OD2-NH1 3.54Å; D1840-R2005 PolarHBondContact OD2-NH1 2.89Å; D1840-R2005 IonicContact OD2-NH2 3.25Å; D1840-R2005 PolarHBondContact OD2-NH2 2.69Å; D1840-R2005 VanDerWaalsContact OD2-NH2 3.1Å |
| 1841 | V | 88 | Confident | 85.1 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 130.6 | -175.1 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | D1823 Y1825 Y1843 N1898 R2005 | D1823-V1841 HydrophobicContact CB-CG1 3.94Å; D1823-V1841 WeakPolarHBondContact O-CG1 3.22Å; Y1825-V1841 HydrophobicContact CD1-CG2 4.4Å; Y1825-V1841 HydrophobicContact CG-CG2 4.4Å; V1841-Y1843 HydrophobicContact CB-CD2 4.34Å; V1841-Y1843 HydrophobicContact CB-CE1 4.02Å; V1841-Y1843 HydrophobicContact CB-CE2 3.74Å; V1841-Y1843 HydrophobicContact CG1-CD1 3.85Å; V1841-Y1843 HydrophobicContact CG1-CD2 4.3Å; V1841-Y1843 HydrophobicContact CG1-CE1 3.46Å; V1841-Y1843 VanDerWaalsContact CG1-CE1 3.46Å; V1841-Y1843 HydrophobicContact CG1-CE2 4Å; V1841-Y1843 HydrophobicContact CG1-CG 4.22Å; V1841-Y1843 PolarHBondContact O-N 2.66Å; V1841-N1898 HydrophobicContact CG1-CB 3.71Å; V1841-N1898 HydrophobicContact CG2-CB 4Å; V1841-R2005 PolarHBondContact O-NH1 3Å |
| 1842 | H | 88.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 90 | 167.1 | -171.2 | 171.6 | 0 | 0 | 0 | 109.3 | I1824 R1844 E1849 G1850 N1851 F1852 S2009 | I1824-H1842 PolarHBondContact N-O 3.13Å; I1824-H1842 PolarHBondContact O-N 2.81Å; H1842-R1844 PolarHBondContact O-N 2.85Å; H1842-E1849 PolarHBondContact CE1-O 3.37Å; H1842-E1849 PolarHBondContact ND1-O 3.43Å; H1842-G1850 VanDerWaalsContact ND1-CA 3.31Å; H1842-G1850 WeakPolarHBondContact ND1-CA 3.16Å; H1842-N1851 PolarHBondContact ND1-N 3.4Å; H1842-F1852 HydrophobicContact CB-CE1 4.26Å; H1842-F1852 HydrophobicContact CB-CZ 4.46Å; H1842-S2009 PolarHBondContact CD2-OG 2.93Å; H1842-S2009 PolarHBondContact NE2-OG 3.47Å |
| 1843 | Y | 83.4 | Confident | 86.5 | Confident | 53 Ų | 53 | 49 Ų | 49 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 135.5 | 177.1 | -65.7 | -70.7 | 0 | 0 | 0 | 112.9 | D1823 V1841 N1898 S2009 L2011 | D1823-Y1843 HydrophobicContact CB-CD1 4.04Å; D1823-Y1843 HydrophobicContact CB-CE1 4.35Å; D1823-Y1843 VanDerWaalsContact OD1-CA 3.24Å; D1823-Y1843 WeakPolarHBondContact OD1-CA 3.06Å; D1823-Y1843 WeakPolarHBondContact OD2-CD1 3.39Å; V1841-Y1843 HydrophobicContact CB-CD2 4.34Å; V1841-Y1843 HydrophobicContact CB-CE1 4.02Å; V1841-Y1843 HydrophobicContact CB-CE2 3.74Å; V1841-Y1843 HydrophobicContact CG1-CD1 3.85Å; V1841-Y1843 HydrophobicContact CG1-CD2 4.3Å; V1841-Y1843 HydrophobicContact CG1-CE1 3.46Å; V1841-Y1843 VanDerWaalsContact CG1-CE1 3.46Å; V1841-Y1843 HydrophobicContact CG1-CE2 4Å; V1841-Y1843 HydrophobicContact CG1-CG 4.22Å; V1841-Y1843 PolarHBondContact O-N 2.66Å; Y1843-N1898 PolarHBondContact OH-OD1 3.3Å; Y1843-S2009 WeakPolarHBondContact O-CA 3.31Å; Y1843-S2009 WeakPolarHBondContact O-CB 3.47Å; Y1843-S2009 PolarHBondContact O-OG 3.08Å; Y1843-L2011 HydrophobicContact CD1-CD1 3.64Å; Y1843-L2011 HydrophobicContact CD1-CG 4.38Å; Y1843-L2011 HydrophobicContact CD2-CD1 3.87Å; Y1843-L2011 HydrophobicContact CE1-CD1 3.18Å; Y1843-L2011 HydrophobicContact CE1-CG 4.2Å; Y1843-L2011 HydrophobicContact CE2-CD1 3.38Å; Y1843-L2011 HydrophobicContact CG-CD1 3.99Å; Y1843-L2011 WeakPolarHBondContact OH-CD1 3.38Å |
| 1844 | R | 80.2 | Confident | 87.1 | Confident | 42 Ų | 42 | 49.5 Ų | 49.5 | 16% | 0.158 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.7 | 50.8 | 173.1 | -61.3 | -172.2 | 159.1 | -161 | -1.1 | 113.9 | M1821 D1823 H1842 L1846 | M1821-R1844 HydrophobicContact CE-CB 3.95Å; M1821-R1844 HydrophobicContact CE-CG 3.89Å; M1821-R1844 HydrophobicContact SD-CB 4.27Å; M1821-R1844 HydrophobicContact SD-CG 3.79Å; D1823-R1844 PolarHBondContact OD1-N 3.24Å; H1842-R1844 PolarHBondContact O-N 2.85Å; R1844-L1846 PolarHBondContact O-N 2.78Å |
| 1845 | S | 83.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 110.2 | 168.4 | -169.6 | 0 | 0 | 0 | 0 | 109.9 | L1811 M1821 S1822 G1848 E1849 | L1811-S1845 VanDerWaalsContact CD2-O 3.27Å; L1811-S1845 WeakPolarHBondContact CD2-O 3.22Å; M1821-S1845 VanDerWaalsContact CA-O 3.23Å; M1821-S1845 WeakPolarHBondContact CA-O 3.34Å; S1822-S1845 PolarHBondContact N-O 3.25Å; S1822-S1845 VanDerWaalsContact N-O 3.13Å; S1822-S1845 VanDerWaalsContact O-CB 3.29Å; S1822-S1845 WeakPolarHBondContact O-CB 3.1Å; S1822-S1845 PolarHBondContact O-N 2.83Å; S1845-G1848 PolarHBondContact OG-N 3.06Å; S1845-E1849 WeakPolarHBondContact CB-O 3.31Å; S1845-E1849 VanDerWaalsContact OG-C 3.32Å; S1845-E1849 PolarHBondContact OG-N 2.94Å; S1845-E1849 PolarHBondContact OG-O 3.29Å |
| 1846 | L | 81.2 | Confident | 88.8 | Confident | 84 Ų | 84 | 39.1 Ų | 39.1 | 44% | 0.44 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -87.8 | -10.5 | -178.3 | -63.7 | 177.5 | 0 | 0 | 0 | 113.3 | L1811 E1819 M1821 R1844 | L1811-L1846 WeakPolarHBondContact CD1-O 3.39Å; E1819-L1846 HydrophobicContact CB-CD2 4.27Å; M1821-L1846 HydrophobicContact CB-CD2 3.92Å; M1821-L1846 HydrophobicContact CE-CD2 3.45Å; M1821-L1846 VanDerWaalsContact CE-CD2 3.45Å; R1844-L1846 PolarHBondContact O-N 2.78Å |
| 1847 | N | 82.1 | Confident | 89 | Confident | 87 Ų | 87 | 31.7 Ų | 31.7 | 47% | 0.465 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -129.7 | 9.1 | -172 | 64.5 | -17.4 | 0 | 0 | 0 | 112.7 | E1849 | N1847-E1849 VanDerWaalsContact C-N 3.28Å; N1847-E1849 WeakPolarHBondContact ND2-CG 3.38Å; N1847-E1849 PolarHBondContact ND2-OE2 3.44Å; N1847-E1849 PolarHBondContact O-N 3.31Å; N1847-E1849 WeakPolarHBondContact OD1-CB 3.49Å; N1847-E1849 PolarHBondContact OD1-N 2.94Å |
| 1848 | G | 83.2 | Confident | 88.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 74 | 17.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1807 D1808 V1809 S1845 | F1807-G1848 CarbonylContact C-O 3.57Å; F1807-G1848 WeakPolarHBondContact CA-O 3.45Å; D1808-G1848 PolarHBondContact N-O 3.31Å; V1809-G1848 WeakPolarHBondContact CB-O 3.42Å; V1809-G1848 WeakPolarHBondContact CG2-O 3.38Å; V1809-G1848 PolarHBondContact N-O 3.45Å; V1809-G1848 VanDerWaalsContact N-O 3.08Å; V1809-G1848 VanDerWaalsContact O-CA 3.31Å; V1809-G1848 WeakPolarHBondContact O-CA 3.36Å; S1845-G1848 PolarHBondContact OG-N 3.06Å |
| 1849 | E | 88.3 | Confident | 88.7 | Confident | 51 Ų | 51 | 28.3 Ų | 28.3 | 24% | 0.238 | 14% | 0.144 | C | C | . | . | trans | -96.9 | 120.4 | 176.1 | -59.4 | -172.9 | 157.7 | 0 | 0 | 111.8 | T1806 F1807 H1842 S1845 N1847 R1924 | T1806-E1849 CarbonylContact O-C 3.13Å; T1806-E1849 VanDerWaalsContact O-CA 3.23Å; T1806-E1849 WeakPolarHBondContact O-CA 3.36Å; F1807-E1849 HydrophobicContact CD1-CB 4.46Å; F1807-E1849 HydrophobicContact CD1-CG 3.72Å; F1807-E1849 WeakPolarHBondContact CD1-OE1 3.07Å; F1807-E1849 HydrophobicContact CE1-CG 4.19Å; H1842-E1849 PolarHBondContact CE1-O 3.37Å; H1842-E1849 PolarHBondContact ND1-O 3.43Å; S1845-E1849 WeakPolarHBondContact CB-O 3.31Å; S1845-E1849 VanDerWaalsContact OG-C 3.32Å; S1845-E1849 PolarHBondContact OG-N 2.94Å; S1845-E1849 PolarHBondContact OG-O 3.29Å; N1847-E1849 VanDerWaalsContact C-N 3.28Å; N1847-E1849 WeakPolarHBondContact ND2-CG 3.38Å; N1847-E1849 PolarHBondContact ND2-OE2 3.44Å; N1847-E1849 PolarHBondContact O-N 3.31Å; N1847-E1849 WeakPolarHBondContact OD1-CB 3.49Å; N1847-E1849 PolarHBondContact OD1-N 2.94Å; E1849-R1924 IonicContact OE1-CZ 3.1Å; E1849-R1924 IonicContact OE1-NH1 3.82Å; E1849-R1924 PolarHBondContact OE1-NH1 3.25Å; E1849-R1924 IonicContact OE1-NH2 2.84Å | ||
| 1850 | G | 88.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N1805 T1806 H1842 | N1805-G1850 CarbonylContact C-O 3.46Å; N1805-G1850 WeakPolarHBondContact CA-O 3.24Å; N1805-G1850 VanDerWaalsContact CB-O 3.3Å; N1805-G1850 WeakPolarHBondContact CB-O 3.48Å; T1806-G1850 PolarHBondContact N-O 2.82Å; T1806-G1850 PolarHBondContact O-N 3.06Å; T1806-G1850 VanDerWaalsContact OG1-CA 3.22Å; T1806-G1850 WeakPolarHBondContact OG1-CA 3.37Å; T1806-G1850 PolarHBondContact OG1-N 3.38Å; T1806-G1850 VanDerWaalsContact OG1-N 3.15Å; H1842-G1850 VanDerWaalsContact ND1-CA 3.31Å; H1842-G1850 WeakPolarHBondContact ND1-CA 3.16Å |
| 1851 | N | 91.2 | Very high | 88.4 | Confident | 34 Ų | 34 | 29.5 Ų | 29.5 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.6 | 179.1 | -67 | 9.2 | 0 | 0 | 0 | 108.9 | N1805 H1842 P2003 K2004 R2005 | N1805-N1851 WeakPolarHBondContact OD1-CA 3.34Å; N1805-N1851 PolarHBondContact OD1-OD1 2.96Å; H1842-N1851 PolarHBondContact ND1-N 3.4Å; N1851-P2003 HydrophobicContact CB-CB 4.23Å; N1851-P2003 WeakPolarHBondContact O-CB 3.34Å; N1851-K2004 PolarHBondContact ND2-O 3.2Å; N1851-K2004 VanDerWaalsContact ND2-O 3.12Å; N1851-R2005 HydrophobicContact CB-CG 4.29Å; N1851-R2005 PolarHBondContact O-NE 2.82Å; N1851-R2005 PolarHBondContact O-NH2 2.78Å |
| 1852 | F | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -50.6 | -168.2 | -55.4 | -77.2 | 0 | 0 | 0 | 113.2 | V1803 W1804 T1806 I1824 V1826 T1839 D1840 H1842 W1854 | V1803-F1852 HydrophobicContact CG1-CB 4.45Å; V1803-F1852 HydrophobicContact CG1-CD2 3.86Å; V1803-F1852 HydrophobicContact CG1-CG 4.4Å; W1804-F1852 PolarHBondContact O-N 3.49Å; T1806-F1852 HydrophobicContact CG2-CE2 3.94Å; I1824-F1852 HydrophobicContact CB-CZ 4.48Å; I1824-F1852 HydrophobicContact CG2-CZ 4.1Å; I1824-F1852 WeakPolarHBondContact O-CE1 3.21Å; I1824-F1852 WeakPolarHBondContact O-CZ 3.29Å; V1826-F1852 HydrophobicContact CG2-CE2 4.36Å; T1839-F1852 HydrophobicContact CG2-CB 4.4Å; T1839-F1852 HydrophobicContact CG2-CD1 4.26Å; T1839-F1852 HydrophobicContact CG2-CG 4.26Å; T1839-F1852 WeakPolarHBondContact OG1-CD1 3.38Å; T1839-F1852 WeakPolarHBondContact OG1-CE1 3.37Å; D1840-F1852 VanDerWaalsContact O-CD1 3.24Å; D1840-F1852 WeakPolarHBondContact O-CD1 3.44Å; D1840-F1852 WeakPolarHBondContact O-CE1 3.39Å; H1842-F1852 HydrophobicContact CB-CE1 4.26Å; H1842-F1852 HydrophobicContact CB-CZ 4.46Å; F1852-W1854 HydrophobicContact CB-CB 3.93Å |
| 1853 | N | 92.5 | Very high | 88 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 56.3 | -166.6 | -58.5 | -11.2 | 0 | 0 | 0 | 111.2 | V1803 W1804 R1991 E2001 | V1803-N1853 WeakPolarHBondContact O-CA 3.46Å; V1803-N1853 PolarHBondContact O-N 2.94Å; W1804-N1853 HydrophobicContact CE3-CB 4.44Å; W1804-N1853 VanDerWaalsContact CE3-OD1 3.32Å; W1804-N1853 HydrophobicContact CZ3-CB 4.43Å; W1804-N1853 PolarHBondContact O-N 3.16Å; N1853-R1991 WeakPolarHBondContact O-CG 3.31Å; N1853-E2001 WeakPolarHBondContact CB-O 3.43Å; N1853-E2001 PolarHBondContact ND2-O 3.43Å |
| 1854 | W | 94.1 | Very high | 87.5 | Confident | 47 Ų | 47 | 28.1 Ų | 28.1 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.7 | -167.1 | -166.5 | -80.7 | 0 | 0 | 0 | 112.4 | V1802 V1803 K1838 T1839 D1840 F1852 F1856 A1990 R1991 | V1802-W1854 CarbonylContact C-O 3.57Å; V1802-W1854 WeakPolarHBondContact CA-O 3.49Å; V1803-W1854 PolarHBondContact N-O 2.86Å; V1803-W1854 PolarHBondContact O-N 3.28Å; K1838-W1854 PolarHBondContact O-NE1 2.9Å; T1839-W1854 HydrophobicContact CG2-CB 3.86Å; T1839-W1854 HydrophobicContact CG2-CG 3.85Å; D1840-W1854 HydrophobicContact CB-CE3 4.07Å; D1840-W1854 HydrophobicContact CB-CH2 4.22Å; D1840-W1854 HydrophobicContact CB-CZ3 3.59Å; F1852-W1854 HydrophobicContact CB-CB 3.93Å; W1854-F1856 AromaticContact CD1-CD1 3.6Å; W1854-F1856 AromaticContact CD1-CE1 3.32Å; W1854-F1856 HydrophobicContact CG-CE1 4.5Å; W1854-F1856 AromaticContact NE1-CD1 3.81Å; W1854-F1856 AromaticContact NE1-CE1 3.51Å; W1854-A1990 HydrophobicContact CD2-CB 3.79Å; W1854-A1990 HydrophobicContact CE3-CB 4.12Å; W1854-A1990 HydrophobicContact CH2-CB 3.57Å; W1854-A1990 HydrophobicContact CZ2-CB 3.2Å; W1854-A1990 HydrophobicContact CZ3-CB 4.01Å; W1854-R1991 VanDerWaalsContact CZ3-NH2 3.3Å |
| 1855 | R | 95 | Very high | 87.1 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.9 | 179.7 | -161 | -178.3 | -55.7 | 149.4 | -10.8 | 112.7 | L1801 V1802 V1857 A1987 G1988 A1990 E1996 P1998 L2000 | L1801-R1855 CarbonylContact O-C 3.54Å; L1801-R1855 WeakPolarHBondContact O-CA 3.42Å; V1802-R1855 HydrophobicContact CG2-CG 4.17Å; R1855-V1857 HydrophobicContact CG-CG2 4.09Å; R1855-A1987 VanDerWaalsContact NH1-CB 3.29Å; R1855-G1988 WeakPolarHBondContact CD-O 3.29Å; R1855-G1988 PolarHBondContact NH1-O 2.91Å; R1855-A1990 WeakPolarHBondContact CB-O 3.4Å; R1855-A1990 PolarHBondContact N-O 2.84Å; R1855-A1990 PolarHBondContact O-N 3Å; R1855-E1996 PolarHBondContact NH1-O 2.84Å; R1855-E1996 PolarHBondContact NH2-O 3.28Å; R1855-P1998 PolarHBondContact NH2-O 2.84Å; R1855-L2000 HydrophobicContact CB-CD1 3.75Å |
| 1856 | F | 95.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 145.1 | 158.7 | -54.7 | -28.9 | 0 | 0 | 0 | 110.6 | R1800 L1801 V1803 Q1837 K1838 T1839 W1854 F1858 L1893 | R1800-F1856 WeakPolarHBondContact CA-O 3.34Å; L1801-F1856 HydrophobicContact CB-CB 4.26Å; L1801-F1856 HydrophobicContact CD2-CD2 3.84Å; L1801-F1856 HydrophobicContact CD2-CE2 4.44Å; L1801-F1856 PolarHBondContact N-O 3.04Å; L1801-F1856 PolarHBondContact O-N 2.71Å; V1803-F1856 HydrophobicContact CG2-CD2 4.49Å; V1803-F1856 HydrophobicContact CG2-CE2 4.1Å; V1803-F1856 HydrophobicContact CG2-CZ 4.48Å; Q1837-F1856 HydrophobicContact CB-CB 4.43Å; Q1837-F1856 HydrophobicContact CB-CD1 3.64Å; Q1837-F1856 HydrophobicContact CB-CE1 3.96Å; Q1837-F1856 HydrophobicContact CB-CG 3.99Å; Q1837-F1856 VanDerWaalsContact OE1-CA 3.23Å; K1838-F1856 VanDerWaalsContact C-CE1 3.5Å; T1839-F1856 HydrophobicContact CG2-CE1 3.99Å; T1839-F1856 HydrophobicContact CG2-CZ 3.69Å; W1854-F1856 AromaticContact CD1-CD1 3.6Å; W1854-F1856 AromaticContact CD1-CE1 3.32Å; W1854-F1856 HydrophobicContact CG-CE1 4.5Å; W1854-F1856 AromaticContact NE1-CD1 3.81Å; W1854-F1856 AromaticContact NE1-CE1 3.51Å; F1856-F1858 HydrophobicContact CB-CD2 4.3Å; F1856-F1858 HydrophobicContact CB-CE1 4.38Å; F1856-F1858 HydrophobicContact CB-CE2 3.5Å; F1856-F1858 VanDerWaalsContact CB-CE2 3.5Å; F1856-F1858 HydrophobicContact CB-CZ 3.55Å; F1856-F1858 HydrophobicContact CD2-CE2 4.07Å; F1856-F1858 AromaticContact CD2-CZ 3.85Å; F1856-F1858 HydrophobicContact CD2-CZ 3.85Å; F1856-F1858 HydrophobicContact CG-CE2 4.22Å; F1856-F1858 AromaticContact CG-CZ 3.95Å; F1856-F1858 HydrophobicContact CG-CZ 3.95Å; F1856-L1893 HydrophobicContact CE2-CD2 4.45Å |
| 1857 | V | 91.8 | Very high | 86.5 | Confident | 20 Ų | 20 | 25.7 Ų | 25.7 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 108.4 | -179 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | I1798 L1799 Q1837 R1855 P1859 K1989 | I1798-V1857 HydrophobicContact CG2-CG1 3.45Å; I1798-V1857 VanDerWaalsContact CG2-CG1 3.45Å; L1799-V1857 WeakPolarHBondContact O-CA 3.5Å; Q1837-V1857 PolarHBondContact NE2-O 3.21Å; Q1837-V1857 VanDerWaalsContact OE1-N 3.13Å; R1855-V1857 HydrophobicContact CG-CG2 4.09Å; V1857-P1859 WeakPolarHBondContact O-CD 3.44Å; V1857-K1989 HydrophobicContact CB-CG 4.15Å; V1857-K1989 HydrophobicContact CG2-CG 4.19Å |
| 1858 | F | 92.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 102.9 | -178 | -55.1 | -67.8 | 0 | 0 | 0 | 110.1 | I1798 L1799 G1828 L1830 D1835 Q1837 F1856 F1860 L1891 | I1798-F1858 WeakPolarHBondContact CA-O 3.46Å; L1799-F1858 HydrophobicContact CB-CB 4.38Å; L1799-F1858 HydrophobicContact CD2-CD2 4.24Å; L1799-F1858 HydrophobicContact CG-CD2 4.48Å; L1799-F1858 PolarHBondContact N-O 2.78Å; L1799-F1858 PolarHBondContact O-N 3Å; G1828-F1858 WeakPolarHBondContact O-CE1 3.41Å; G1828-F1858 VanDerWaalsContact O-CZ 3.32Å; G1828-F1858 WeakPolarHBondContact O-CZ 3.48Å; L1830-F1858 HydrophobicContact CD1-CB 3.76Å; L1830-F1858 HydrophobicContact CD1-CG 4.48Å; L1830-F1858 HydrophobicContact CG-CB 4.24Å; L1830-F1858 HydrophobicContact CG-CG 4.45Å; D1835-F1858 WeakPolarHBondContact O-CE1 3.31Å; Q1837-F1858 HydrophobicContact CB-CE1 4.1Å; Q1837-F1858 HydrophobicContact CB-CZ 4.26Å; Q1837-F1858 HydrophobicContact CG-CE1 3.81Å; Q1837-F1858 HydrophobicContact CG-CZ 4.42Å; F1856-F1858 HydrophobicContact CB-CD2 4.3Å; F1856-F1858 HydrophobicContact CB-CE1 4.38Å; F1856-F1858 HydrophobicContact CB-CE2 3.5Å; F1856-F1858 VanDerWaalsContact CB-CE2 3.5Å; F1856-F1858 HydrophobicContact CB-CZ 3.55Å; F1856-F1858 HydrophobicContact CD2-CE2 4.07Å; F1856-F1858 AromaticContact CD2-CZ 3.85Å; F1856-F1858 HydrophobicContact CD2-CZ 3.85Å; F1856-F1858 HydrophobicContact CG-CE2 4.22Å; F1856-F1858 AromaticContact CG-CZ 3.95Å; F1856-F1858 HydrophobicContact CG-CZ 3.95Å; F1858-F1860 WeakPolarHBondContact O-CD1 3.17Å; F1858-L1891 HydrophobicContact CD2-CD1 4.5Å; F1858-L1891 HydrophobicContact CE2-CD1 4.14Å |
| 1859 | P | 89.1 | Confident | 86.5 | Confident | 73 Ų | 73 | 23 Ų | 23 | 47% | 0.474 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 136.4 | 168.8 | 30.3 | -31.8 | 0 | 0 | 0 | 110.5 | Y1797 I1798 V1857 | Y1797-P1859 WeakPolarHBondContact O-CA 3.32Å; I1798-P1859 HydrophobicContact CG1-CB 4.08Å; V1857-P1859 WeakPolarHBondContact O-CD 3.44Å |
| 1860 | F | 89.4 | Confident | 86.1 | Confident | 8 Ų | 8 | 20.7 Ų | 20.7 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 156.7 | 178 | 67.6 | -77.2 | 0 | 0 | 0 | 111.6 | Y1797 L1799 L1830 L1833 F1858 Y1862 I1869 L1914 F1945 L1976 | Y1797-F1860 PolarHBondContact N-O 2.8Å; Y1797-F1860 PolarHBondContact O-N 3.03Å; L1799-F1860 HydrophobicContact CB-CE1 3.83Å; L1830-F1860 HydrophobicContact CD1-CB 4.18Å; L1830-F1860 HydrophobicContact CD1-CD1 3.57Å; L1830-F1860 HydrophobicContact CD1-CE1 4.01Å; L1830-F1860 HydrophobicContact CD1-CG 3.86Å; L1833-F1860 HydrophobicContact CD1-CB 3.91Å; F1858-F1860 WeakPolarHBondContact O-CD1 3.17Å; F1860-Y1862 HydrophobicContact CE2-CD2 4.48Å; F1860-Y1862 HydrophobicContact CE2-CG 4.26Å; F1860-I1869 HydrophobicContact CB-CG2 4.2Å; F1860-I1869 HydrophobicContact CD2-CB 4.45Å; F1860-I1869 HydrophobicContact CD2-CD1 3.62Å; F1860-I1869 HydrophobicContact CD2-CG1 3.68Å; F1860-I1869 HydrophobicContact CD2-CG2 4.14Å; F1860-I1869 HydrophobicContact CE2-CD1 3.95Å; F1860-I1869 HydrophobicContact CE2-CG1 3.99Å; F1860-I1869 HydrophobicContact CG-CD1 4.26Å; F1860-L1914 HydrophobicContact CZ-CD1 4.45Å; F1860-F1945 HydrophobicContact CE2-CE1 4.02Å; F1860-F1945 HydrophobicContact CE2-CZ 4.01Å; F1860-F1945 AromaticContact CZ-CE1 3.99Å; F1860-F1945 HydrophobicContact CZ-CE1 3.99Å; F1860-F1945 HydrophobicContact CZ-CZ 4.11Å; F1860-L1976 HydrophobicContact CE1-CD1 3.73Å; F1860-L1976 HydrophobicContact CZ-CD1 3.63Å |
| 1861 | F | 87.6 | Confident | 85.6 | Confident | 60 Ų | 60 | 21.3 Ų | 21.3 | 26% | 0.263 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135 | 171.3 | -60.8 | -100.4 | 0 | 0 | 0 | 108.9 | P1794 N1795 E1796 I1869 V1870 | P1794-F1861 HydrophobicContact CB-CB 3.94Å; P1794-F1861 HydrophobicContact CG-CB 4.05Å; P1794-F1861 HydrophobicContact CG-CD1 4.32Å; N1795-F1861 CarbonylContact O-C 3.55Å; N1795-F1861 WeakPolarHBondContact O-CA 3.22Å; E1796-F1861 VanDerWaalsContact CD-CE1 3.42Å; E1796-F1861 HydrophobicContact CG-CD1 3.36Å; E1796-F1861 HydrophobicContact CG-CE1 3.07Å; E1796-F1861 HydrophobicContact CG-CE2 4.45Å; E1796-F1861 HydrophobicContact CG-CG 4.18Å; E1796-F1861 HydrophobicContact CG-CZ 3.67Å; F1861-I1869 CarbonylContact O-C 3.53Å; F1861-I1869 VanDerWaalsContact O-CA 3.23Å; F1861-I1869 WeakPolarHBondContact O-CA 3.41Å; F1861-I1869 WeakPolarHBondContact O-CG2 3.14Å; F1861-V1870 HydrophobicContact CB-CB 4.16Å; F1861-V1870 WeakPolarHBondContact CB-O 3.25Å; F1861-V1870 PolarHBondContact O-N 2.7Å |
| 1862 | Y | 84.9 | Confident | 84.9 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 135.3 | -179.2 | 177.7 | -110.9 | 0 | 0 | 0 | 110.8 | N1795 Y1797 F1860 P1864 N1867 N1868 I1869 P1889 F1945 | N1795-Y1862 PolarHBondContact N-O 3.17Å; N1795-Y1862 PolarHBondContact O-N 3.17Å; Y1797-Y1862 HydrophobicContact CD2-CD1 4.42Å; Y1797-Y1862 HydrophobicContact CE2-CD1 4.12Å; F1860-Y1862 HydrophobicContact CE2-CD2 4.48Å; F1860-Y1862 HydrophobicContact CE2-CG 4.26Å; Y1862-P1864 HydrophobicContact CD1-CB 4.33Å; Y1862-P1864 HydrophobicContact CD1-CG 3.87Å; Y1862-P1864 VanDerWaalsContact CE1-CA 3.45Å; Y1862-P1864 HydrophobicContact CE1-CB 3.86Å; Y1862-P1864 HydrophobicContact CE1-CG 3.92Å; Y1862-P1864 WeakPolarHBondContact O-CD 3.11Å; Y1862-N1867 PolarHBondContact OH-OD1 2.94Å; Y1862-N1868 WeakPolarHBondContact CD2-O 3.43Å; Y1862-I1869 HydrophobicContact CD2-CG1 4.32Å; Y1862-P1889 HydrophobicContact CD2-CB 4.37Å; Y1862-P1889 HydrophobicContact CE2-CB 4.14Å; Y1862-P1889 HydrophobicContact CE2-CG 3.86Å; Y1862-F1945 AromaticContact CD1-CD1 3.43Å; Y1862-F1945 HydrophobicContact CD1-CD1 3.43Å; Y1862-F1945 VanDerWaalsContact CD1-CD1 3.43Å; Y1862-F1945 AromaticContact CD1-CE1 3.16Å; Y1862-F1945 HydrophobicContact CD1-CE1 3.16Å; Y1862-F1945 HydrophobicContact CD1-CE2 4.46Å; Y1862-F1945 HydrophobicContact CD1-CG 4.22Å; Y1862-F1945 AromaticContact CD1-CZ 3.75Å; Y1862-F1945 HydrophobicContact CD1-CZ 3.75Å; Y1862-F1945 AromaticContact CD2-CE1 3.91Å; Y1862-F1945 HydrophobicContact CD2-CE1 3.91Å; Y1862-F1945 HydrophobicContact CD2-CE2 4.35Å; Y1862-F1945 AromaticContact CD2-CZ 3.65Å; Y1862-F1945 HydrophobicContact CD2-CZ 3.65Å; Y1862-F1945 HydrophobicContact CE1-CB 4.4Å; Y1862-F1945 AromaticContact CE1-CD1 3.27Å; Y1862-F1945 HydrophobicContact CE1-CD1 3.27Å; Y1862-F1945 AromaticContact CE1-CD2 3.89Å; Y1862-F1945 HydrophobicContact CE1-CD2 3.89Å; Y1862-F1945 AromaticContact CE1-CE1 3.33Å; Y1862-F1945 HydrophobicContact CE1-CE1 3.33Å; Y1862-F1945 AromaticContact CE1-CE2 3.91Å; Y1862-F1945 HydrophobicContact CE1-CE2 3.91Å; Y1862-F1945 AromaticContact CE1-CG 3.59Å; Y1862-F1945 HydrophobicContact CE1-CG 3.59Å; Y1862-F1945 AromaticContact CE1-CZ 3.66Å; Y1862-F1945 HydrophobicContact CE1-CZ 3.66Å; Y1862-F1945 HydrophobicContact CE2-CD2 4.49Å; Y1862-F1945 HydrophobicContact CE2-CE1 4.08Å; Y1862-F1945 AromaticContact CE2-CE2 3.82Å; Y1862-F1945 HydrophobicContact CE2-CE2 3.82Å; Y1862-F1945 AromaticContact CE2-CZ 3.59Å; Y1862-F1945 HydrophobicContact CE2-CZ 3.59Å; Y1862-F1945 HydrophobicContact CG-CD1 4.21Å; Y1862-F1945 AromaticContact CG-CE1 3.46Å; Y1862-F1945 HydrophobicContact CG-CE1 3.46Å; Y1862-F1945 VanDerWaalsContact CG-CE1 3.46Å; Y1862-F1945 AromaticContact CG-CZ 3.73Å; Y1862-F1945 HydrophobicContact CG-CZ 3.73Å; Y1862-F1945 AromaticContact CZ-CD1 3.97Å; Y1862-F1945 AromaticContact CZ-CD2 3.77Å; Y1862-F1945 AromaticContact CZ-CE1 3.8Å; Y1862-F1945 AromaticContact CZ-CE2 3.55Å; Y1862-F1945 AromaticContact CZ-CG 3.98Å; Y1862-F1945 AromaticContact CZ-CZ 3.58Å |
| 1863 | L | 82.3 | Confident | 84 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 97.5 | 178.7 | -157.1 | 129.3 | 0 | 0 | 0 | 108.7 | R1792 P1794 A1865 E1866 N1867 N1868 V1870 | R1792-L1863 HydrophobicContact CB-CD1 3.81Å; R1792-L1863 HydrophobicContact CB-CD2 4.04Å; R1792-L1863 HydrophobicContact CB-CG 4.25Å; R1792-L1863 VanDerWaalsContact O-CD1 3.22Å; R1792-L1863 WeakPolarHBondContact O-CD1 3.47Å; P1794-L1863 HydrophobicContact CB-CB 4.24Å; P1794-L1863 HydrophobicContact CB-CD1 4.1Å; L1863-A1865 PolarHBondContact O-N 3.25Å; L1863-E1866 HydrophobicContact CD2-CB 3.62Å; L1863-E1866 VanDerWaalsContact CD2-CD 3.46Å; L1863-E1866 HydrophobicContact CD2-CG 3.44Å; L1863-E1866 VanDerWaalsContact CD2-CG 3.44Å; L1863-E1866 PolarHBondContact O-N 2.87Å; L1863-N1867 PolarHBondContact O-N 2.93Å; L1863-N1867 VanDerWaalsContact O-N 3.09Å; L1863-N1868 PolarHBondContact N-O 3.17Å; L1863-V1870 HydrophobicContact CB-CG2 4.19Å; L1863-V1870 HydrophobicContact CD1-CG2 4.45Å |
| 1864 | P | 73.4 | Confident | 82.5 | Confident | 43 Ų | 43 | 32.9 Ų | 32.9 | 28% | 0.279 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -31.6 | -169.4 | -23.4 | 34 | 0 | 0 | 0 | 114 | Y1862 E1866 N1867 | Y1862-P1864 HydrophobicContact CD1-CB 4.33Å; Y1862-P1864 HydrophobicContact CD1-CG 3.87Å; Y1862-P1864 VanDerWaalsContact CE1-CA 3.45Å; Y1862-P1864 HydrophobicContact CE1-CB 3.86Å; Y1862-P1864 HydrophobicContact CE1-CG 3.92Å; Y1862-P1864 WeakPolarHBondContact O-CD 3.11Å; P1864-E1866 VanDerWaalsContact C-N 3.33Å; P1864-E1866 PolarHBondContact O-N 2.93Å; P1864-N1867 PolarHBondContact O-N 2.83Å |
| 1865 | A | 71.5 | Confident | 80.8 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -22.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1469 L1471 R1792 L1863 | K1469-A1865 WeakPolarHBondContact CA-O 3.3Å; L1471-A1865 HydrophobicContact CD1-CB 4.21Å; L1471-A1865 HydrophobicContact CD2-CB 3.77Å; L1471-A1865 HydrophobicContact CG-CB 4.06Å; R1792-A1865 VanDerWaalsContact NH1-CB 3.26Å; L1863-A1865 PolarHBondContact O-N 3.25Å |
| 1866 | E | 74.9 | Confident | 78.9 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -1.5 | 175.8 | -67 | 176.5 | -154.4 | 0 | 0 | 112.7 | K1469 L1863 P1864 N1868 R1886 | K1469-E1866 HydrophobicContact CB-CG 4.47Å; K1469-E1866 HydrophobicContact CD-CG 4.21Å; K1469-E1866 HydrophobicContact CG-CG 4.2Å; L1863-E1866 HydrophobicContact CD2-CB 3.62Å; L1863-E1866 VanDerWaalsContact CD2-CD 3.46Å; L1863-E1866 HydrophobicContact CD2-CG 3.44Å; L1863-E1866 VanDerWaalsContact CD2-CG 3.44Å; L1863-E1866 PolarHBondContact O-N 2.87Å; P1864-E1866 VanDerWaalsContact C-N 3.33Å; P1864-E1866 PolarHBondContact O-N 2.93Å; E1866-N1868 VanDerWaalsContact C-N 3.3Å; E1866-N1868 PolarHBondContact O-N 3.17Å; E1866-N1868 PolarHBondContact O-ND2 3.24Å; E1866-R1886 VanDerWaalsContact CD-NH1 3.3Å; E1866-R1886 IonicContact OE1-NH1 3.42Å; E1866-R1886 PolarHBondContact OE1-NH1 3.28Å; E1866-R1886 VanDerWaalsContact OE1-NH1 3.11Å; E1866-R1886 IonicContact OE2-CZ 2.69Å; E1866-R1886 IonicContact OE2-NE 3.5Å; E1866-R1886 IonicContact OE2-NH1 3.95Å; E1866-R1886 PolarHBondContact OE2-NH1 3.2Å |
| 1867 | N | 77.3 | Confident | 76.9 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 40.5 | -178 | -165.9 | 23.9 | 0 | 0 | 0 | 114.6 | Y1862 L1863 P1864 P1889 S1915 | Y1862-N1867 PolarHBondContact OH-OD1 2.94Å; L1863-N1867 PolarHBondContact O-N 2.93Å; L1863-N1867 VanDerWaalsContact O-N 3.09Å; P1864-N1867 PolarHBondContact O-N 2.83Å; N1867-P1889 WeakPolarHBondContact O-CD 3.29Å; N1867-S1915 WeakPolarHBondContact ND2-CB 3.5Å; N1867-S1915 PolarHBondContact ND2-OG 3.41Å; N1867-S1915 WeakPolarHBondContact OD1-CB 3.34Å; N1867-S1915 PolarHBondContact OD1-OG 2.91Å; N1867-S1915 VanDerWaalsContact OD1-OG 3.13Å |
| 1868 | N | 82.2 | Confident | 74.9 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.1 | -178.6 | -70.6 | -34.9 | 0 | 0 | 0 | 112.1 | Y1862 L1863 E1866 R1886 V1887 | Y1862-N1868 WeakPolarHBondContact CD2-O 3.43Å; L1863-N1868 PolarHBondContact N-O 3.17Å; E1866-N1868 VanDerWaalsContact C-N 3.3Å; E1866-N1868 PolarHBondContact O-N 3.17Å; E1866-N1868 PolarHBondContact O-ND2 3.24Å; N1868-R1886 HydrophobicContact CB-CB 4.19Å; N1868-V1887 CarbonylContact C-O 3.52Å; N1868-V1887 WeakPolarHBondContact CA-O 3.24Å |
| 1869 | I | 82.9 | Confident | 72.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 133.4 | 160.9 | -62.4 | -172.5 | 0 | 0 | 0 | 108.3 | L1830 F1860 F1861 Y1862 I1871 R1886 V1887 P1889 | L1830-I1869 HydrophobicContact CB-CD1 4.45Å; L1830-I1869 HydrophobicContact CD1-CD1 4.24Å; F1860-I1869 HydrophobicContact CB-CG2 4.2Å; F1860-I1869 HydrophobicContact CD2-CB 4.45Å; F1860-I1869 HydrophobicContact CD2-CD1 3.62Å; F1860-I1869 HydrophobicContact CD2-CG1 3.68Å; F1860-I1869 HydrophobicContact CD2-CG2 4.14Å; F1860-I1869 HydrophobicContact CE2-CD1 3.95Å; F1860-I1869 HydrophobicContact CE2-CG1 3.99Å; F1860-I1869 HydrophobicContact CG-CD1 4.26Å; F1861-I1869 CarbonylContact O-C 3.53Å; F1861-I1869 VanDerWaalsContact O-CA 3.23Å; F1861-I1869 WeakPolarHBondContact O-CA 3.41Å; F1861-I1869 WeakPolarHBondContact O-CG2 3.14Å; Y1862-I1869 HydrophobicContact CD2-CG1 4.32Å; I1869-I1871 HydrophobicContact CG2-CG1 3.97Å; I1869-R1886 CarbonylContact O-C 3.57Å; I1869-R1886 WeakPolarHBondContact O-CA 3.25Å; I1869-V1887 PolarHBondContact N-O 3.08Å; I1869-V1887 PolarHBondContact O-N 3.1Å; I1869-P1889 HydrophobicContact CD1-CB 3.9Å; I1869-P1889 HydrophobicContact CG1-CB 3.72Å |
| 1870 | V | 80.6 | Confident | 71.4 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123 | 172.3 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | P1794 F1861 L1863 E1884 R1886 | P1794-V1870 HydrophobicContact CB-CB 3.96Å; P1794-V1870 HydrophobicContact CB-CG2 3.65Å; P1794-V1870 HydrophobicContact CG-CB 3.9Å; P1794-V1870 HydrophobicContact CG-CG1 4.12Å; P1794-V1870 HydrophobicContact CG-CG2 3.92Å; F1861-V1870 HydrophobicContact CB-CB 4.16Å; F1861-V1870 WeakPolarHBondContact CB-O 3.25Å; F1861-V1870 PolarHBondContact O-N 2.7Å; L1863-V1870 HydrophobicContact CB-CG2 4.19Å; L1863-V1870 HydrophobicContact CD1-CG2 4.45Å; V1870-E1884 HydrophobicContact CG1-CB 4.34Å; V1870-R1886 HydrophobicContact CG2-CG 4.44Å |
| 1871 | I | 76.9 | Confident | 70.4 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.8 | -177.2 | -56.8 | 163.9 | 0 | 0 | 0 | 107.4 | G1832 L1833 I1869 E1884 Q1885 V1887 | G1832-I1871 WeakPolarHBondContact O-CD1 3.37Å; L1833-I1871 HydrophobicContact CD2-CG1 4.3Å; L1833-I1871 HydrophobicContact CD2-CG2 4.37Å; I1869-I1871 HydrophobicContact CG2-CG1 3.97Å; I1871-E1884 CarbonylContact O-C 3.5Å; I1871-E1884 WeakPolarHBondContact O-CA 3.38Å; I1871-Q1885 HydrophobicContact CB-CB 4.46Å; I1871-Q1885 PolarHBondContact N-O 2.62Å; I1871-Q1885 PolarHBondContact O-N 3.25Å; I1871-V1887 HydrophobicContact CD1-CB 4.24Å; I1871-V1887 HydrophobicContact CD1-CG2 3.56Å |
| 1872 | K | 76.7 | Confident | 69.5 | Low | 96 Ų | 96 | 63.8 Ų | 63.8 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 114.5 | 175.6 | -55.8 | -161.6 | -172.7 | -136.8 | 0 | 108.9 | V1882 T1883 E1884 | K1872-V1882 HydrophobicContact CB-CG1 3.72Å; K1872-T1883 WeakPolarHBondContact CA-O 3.44Å; K1872-E1884 WeakPolarHBondContact CE-OE1 3.34Å; K1872-E1884 HydrophobicContact CG-CG 4.27Å; K1872-E1884 IonicContact NZ-OE1 3.89Å; K1872-E1884 PolarHBondContact NZ-OE1 3.2Å |
| 1873 | R | 73.1 | Confident | 68.7 | Low | 98 Ų | 98 | 64.6 Ų | 64.6 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 153.3 | -178.4 | 70.1 | 179.4 | -173.6 | -172 | 0.1 | 112.8 | V1882 T1883 | R1873-V1882 CarbonylContact O-C 3.54Å; R1873-V1882 WeakPolarHBondContact O-CA 3.21Å; R1873-T1883 PolarHBondContact N-O 3.12Å; R1873-T1883 PolarHBondContact O-N 3.01Å; R1873-T1883 PolarHBondContact O-OG1 3.17Å |
| 1874 | K | 61.3 | Low | 68.4 | Low | 107 Ų | 107 | 69.3 Ų | 69.3 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | trans | -92.5 | 123.8 | 163.1 | -69.6 | -178.2 | 164.1 | -129.6 | 0 | 107.4 | H1876 S1879 M1880 V1882 | K1874-H1876 PolarHBondContact O-N 3.45Å; K1874-S1879 WeakPolarHBondContact CD-O 3.45Å; K1874-S1879 PolarHBondContact NZ-O 3.06Å; K1874-M1880 WeakPolarHBondContact CE-O 3.25Å; K1874-M1880 PolarHBondContact NZ-O 3.48Å; K1874-V1882 HydrophobicContact CG-CG2 3.95Å | ||
| 1875 | E | 58.2 | Low | 68.5 | Low | 56 Ų | 56 | 70.9 Ų | 70.9 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -59 | -35.6 | -173.8 | -75.3 | -156.2 | 135.3 | 0 | 0 | 113.2 | K199 | K199-E1875 WeakPolarHBondContact CE-OE2 3.26Å; K199-E1875 IonicContact NZ-OE2 2.76Å; K199-E1875 PolarHBondContact NZ-OE2 3.13Å |
| 1876 | H | 55.9 | Low | 68.8 | Low | 104 Ų | 104 | 74.5 Ų | 74.5 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -140.2 | 164 | 175.4 | -60.3 | -44 | 0 | 0 | 0 | 110.7 | K199 K1874 W1878 S1879 | K199-H1876 VanDerWaalsContact CD-NE2 3.26Å; K199-H1876 WeakPolarHBondContact CD-NE2 3.45Å; K199-H1876 WeakPolarHBondContact CE-NE2 3.45Å; K199-H1876 PolarHBondContact NZ-CD2 3.2Å; K199-H1876 PolarHBondContact NZ-NE2 2.72Å; K1874-H1876 PolarHBondContact O-N 3.45Å; H1876-W1878 PolarHBondContact O-N 3.32Å; H1876-S1879 VanDerWaalsContact O-CB 3.31Å; H1876-S1879 WeakPolarHBondContact O-CB 3.49Å; H1876-S1879 PolarHBondContact O-N 3.35Å |
| 1877 | F | 53.3 | Low | 69.1 | Low | 194 Ų | 194 | 75.8 Ų | 75.8 | 85% | 0.851 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.9 | -178.1 | -155.3 | -92.4 | 0 | 0 | 0 | 113.8 | ||
| 1878 | W | 49.9 | Very low | 69.3 | Low | 230 Ų | 230 | 81.3 Ų | 81.3 | 87% | 0.871 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -3.9 | 178.8 | -54 | 111 | 0 | 0 | 0 | 114.7 | H1876 M1880 | H1876-W1878 PolarHBondContact O-N 3.32Å; W1878-M1880 PolarHBondContact O-N 2.79Å |
| 1879 | S | 49.4 | Very low | 69.5 | Low | 30 Ų | 30 | 79.8 Ų | 79.8 | 21% | 0.21 | 36% | 0.357 | C | S | . | . | trans | -66.2 | 122.8 | 178 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | K1874 H1876 D1881 | K1874-S1879 WeakPolarHBondContact CD-O 3.45Å; K1874-S1879 PolarHBondContact NZ-O 3.06Å; H1876-S1879 VanDerWaalsContact O-CB 3.31Å; H1876-S1879 WeakPolarHBondContact O-CB 3.49Å; H1876-S1879 PolarHBondContact O-N 3.35Å; S1879-D1881 PolarHBondContact OG-O 2.76Å; S1879-D1881 VanDerWaalsContact OG-O 3.13Å | ||
| 1880 | M | 58.3 | Low | 69.9 | Low | 133 Ų | 133 | 82.7 Ų | 82.7 | 66% | 0.655 | 37% | 0.371 | S | S | * | . | trans | -69.9 | -41.1 | 179.5 | -61.4 | -153.6 | -36.9 | 0 | 0 | 110.8 | K1874 W1878 | K1874-M1880 WeakPolarHBondContact CE-O 3.25Å; K1874-M1880 PolarHBondContact NZ-O 3.48Å; W1878-M1880 PolarHBondContact O-N 2.79Å | ||
| 1881 | D | 67.8 | Low | 70.5 | Confident | 43 Ų | 43 | 82.5 Ų | 82.5 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -96.8 | 150.5 | -170.5 | -60.1 | -38.4 | 0 | 0 | 0 | 113.3 | Y1597 P1599 S1879 | Y1597-D1881 PolarHBondContact OH-OD1 2.89Å; Y1597-D1881 VanDerWaalsContact OH-OD1 3.13Å; Y1597-D1881 PolarHBondContact OH-OD2 2.91Å; P1599-D1881 HydrophobicContact CB-CB 3.92Å; P1599-D1881 HydrophobicContact CG-CB 4.1Å; S1879-D1881 PolarHBondContact OG-O 2.76Å; S1879-D1881 VanDerWaalsContact OG-O 3.13Å |
| 1882 | V | 68.9 | Low | 71.3 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 44% | 0.436 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 119.9 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | K1872 R1873 K1874 | K1872-V1882 HydrophobicContact CB-CG1 3.72Å; R1873-V1882 CarbonylContact O-C 3.54Å; R1873-V1882 WeakPolarHBondContact O-CA 3.21Å; K1874-V1882 HydrophobicContact CG-CG2 3.95Å |
| 1883 | T | 68.8 | Low | 72.2 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 14% | 0.135 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 150 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | N1600 K1872 R1873 | N1600-T1883 HydrophobicContact CB-CG2 4.19Å; K1872-T1883 WeakPolarHBondContact CA-O 3.44Å; R1873-T1883 PolarHBondContact N-O 3.12Å; R1873-T1883 PolarHBondContact O-N 3.01Å; R1873-T1883 PolarHBondContact O-OG1 3.17Å |
| 1884 | E | 74.1 | Confident | 73.2 | Confident | 104 Ų | 104 | 74.9 Ų | 74.9 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.4 | 179.3 | -59.9 | -161.8 | 162.5 | 0 | 0 | 111 | V1870 I1871 K1872 | V1870-E1884 HydrophobicContact CG1-CB 4.34Å; I1871-E1884 CarbonylContact O-C 3.5Å; I1871-E1884 WeakPolarHBondContact O-CA 3.38Å; K1872-E1884 WeakPolarHBondContact CE-OE1 3.34Å; K1872-E1884 HydrophobicContact CG-CG 4.27Å; K1872-E1884 IonicContact NZ-OE1 3.89Å; K1872-E1884 PolarHBondContact NZ-OE1 3.2Å |
| 1885 | Q | 75.6 | Confident | 74.8 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.4 | 174.5 | -170.2 | 179.4 | 7.2 | 0 | 0 | 110.4 | I1871 V1887 | I1871-Q1885 HydrophobicContact CB-CB 4.46Å; I1871-Q1885 PolarHBondContact N-O 2.62Å; I1871-Q1885 PolarHBondContact O-N 3.25Å; Q1885-V1887 HydrophobicContact CG-CG2 4.06Å |
| 1886 | R | 79.1 | Confident | 76.4 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 34% | 0.336 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.9 | 178.2 | -57.2 | -171.5 | -171.5 | 163.9 | 14.1 | 110.5 | E1605 E1866 N1868 I1869 V1870 | E1605-R1886 IonicContact OE2-CZ 3.88Å; E1605-R1886 IonicContact OE2-NH1 3.27Å; E1605-R1886 PolarHBondContact OE2-NH1 3.11Å; E1605-R1886 IonicContact OE2-NH2 2.95Å; E1605-R1886 PolarHBondContact OE2-NH2 3.38Å; E1866-R1886 VanDerWaalsContact CD-NH1 3.3Å; E1866-R1886 IonicContact OE1-NH1 3.42Å; E1866-R1886 PolarHBondContact OE1-NH1 3.28Å; E1866-R1886 VanDerWaalsContact OE1-NH1 3.11Å; E1866-R1886 IonicContact OE2-CZ 2.69Å; E1866-R1886 IonicContact OE2-NE 3.5Å; E1866-R1886 IonicContact OE2-NH1 3.95Å; E1866-R1886 PolarHBondContact OE2-NH1 3.2Å; N1868-R1886 HydrophobicContact CB-CB 4.19Å; I1869-R1886 CarbonylContact O-C 3.57Å; I1869-R1886 WeakPolarHBondContact O-CA 3.25Å; V1870-R1886 HydrophobicContact CG2-CG 4.44Å |
| 1887 | V | 80.8 | Confident | 78 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 22% | 0.218 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149.2 | -176.7 | -166.7 | 0 | 0 | 0 | 0 | 110.3 | N1868 I1869 I1871 Q1885 | N1868-V1887 CarbonylContact C-O 3.52Å; N1868-V1887 WeakPolarHBondContact CA-O 3.24Å; I1869-V1887 PolarHBondContact N-O 3.08Å; I1869-V1887 PolarHBondContact O-N 3.1Å; I1871-V1887 HydrophobicContact CD1-CB 4.24Å; I1871-V1887 HydrophobicContact CD1-CG2 3.56Å; Q1885-V1887 HydrophobicContact CG-CG2 4.06Å |
| 1888 | R | 82.1 | Confident | 79.5 | Confident | 171 Ų | 171 | 56.5 Ų | 56.5 | 65% | 0.645 | 26% | 0.258 | S | S | * | . | trans | -61.7 | 145.2 | 177.1 | -66 | -179.8 | 179.5 | -179.6 | -0.3 | 111.5 | Q1890 | R1888-Q1890 VanDerWaalsContact C-N 3.3Å; R1888-Q1890 PolarHBondContact O-N 3.31Å | ||
| 1889 | P | 85.9 | Confident | 81 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -74.1 | 78.2 | -179 | 32.3 | -38.3 | 0 | 0 | 0 | 111.8 | Y1862 N1867 I1869 N1913 L1914 F1945 | Y1862-P1889 HydrophobicContact CD2-CB 4.37Å; Y1862-P1889 HydrophobicContact CE2-CB 4.14Å; Y1862-P1889 HydrophobicContact CE2-CG 3.86Å; N1867-P1889 WeakPolarHBondContact O-CD 3.29Å; I1869-P1889 HydrophobicContact CD1-CB 3.9Å; I1869-P1889 HydrophobicContact CG1-CB 3.72Å; P1889-N1913 CarbonylContact O-C 3.57Å; P1889-L1914 HydrophobicContact CB-CB 4.19Å; P1889-L1914 HydrophobicContact CB-CD1 4.31Å; P1889-L1914 HydrophobicContact CB-CG 4.5Å; P1889-L1914 WeakPolarHBondContact O-CB 3.42Å; P1889-L1914 WeakPolarHBondContact O-CG 3.46Å; P1889-L1914 PolarHBondContact O-N 3.19Å; P1889-F1945 HydrophobicContact CB-CE2 4Å; P1889-F1945 HydrophobicContact CB-CZ 3.97Å; P1889-F1945 HydrophobicContact CG-CE2 4.01Å; P1889-F1945 HydrophobicContact CG-CZ 4.4Å | ||
| 1890 | Q | 90.4 | Very high | 82 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.5 | -174.1 | -172.5 | 168.2 | -4.1 | 0 | 0 | 110.9 | L1830 A1831 R1888 E1911 L1912 | L1830-Q1890 CarbonylContact C-O 3.6Å; L1830-Q1890 WeakPolarHBondContact CA-O 3.38Å; A1831-Q1890 HydrophobicContact CB-CB 3.91Å; A1831-Q1890 PolarHBondContact N-O 3.35Å; R1888-Q1890 VanDerWaalsContact C-N 3.3Å; R1888-Q1890 PolarHBondContact O-N 3.31Å; Q1890-E1911 PolarHBondContact NE2-OE2 3.15Å; Q1890-L1912 CarbonylContact C-O 3.5Å; Q1890-L1912 WeakPolarHBondContact CA-O 3.23Å |
| 1891 | L | 93.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.4 | 173.2 | 176 | 70.2 | 0 | 0 | 0 | 109.5 | L1799 L1801 L1830 F1858 L1893 E1911 L1912 L1914 M1974 | L1799-L1891 HydrophobicContact CD2-CD1 4.11Å; L1799-L1891 HydrophobicContact CD2-CD2 4.35Å; L1801-L1891 HydrophobicContact CD2-CD2 4.41Å; L1830-L1891 HydrophobicContact CD2-CB 3.97Å; L1830-L1891 HydrophobicContact CD2-CD1 4.06Å; F1858-L1891 HydrophobicContact CD2-CD1 4.5Å; F1858-L1891 HydrophobicContact CE2-CD1 4.14Å; L1891-L1893 HydrophobicContact CD1-CD2 4.25Å; L1891-L1893 HydrophobicContact CD2-CD1 4.19Å; L1891-L1893 HydrophobicContact CD2-CG 4.31Å; L1891-L1893 HydrophobicContact CG-CD2 4.37Å; L1891-L1893 HydrophobicContact CG-CG 4.18Å; L1891-E1911 CarbonylContact O-C 3.33Å; L1891-E1911 WeakPolarHBondContact O-CA 3.44Å; L1891-L1912 PolarHBondContact N-O 2.62Å; L1891-L1912 PolarHBondContact O-N 3.17Å; L1891-L1914 HydrophobicContact CB-CD2 3.85Å; L1891-L1914 HydrophobicContact CB-CG 4.41Å; L1891-L1914 HydrophobicContact CD2-CD2 4.37Å; L1891-M1974 HydrophobicContact CD2-SD 4.01Å |
| 1892 | V | 94.1 | Very high | 82.8 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.6 | 177 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | G1828 W1829 E1911 | G1828-V1892 CarbonylContact C-O 3.52Å; G1828-V1892 VanDerWaalsContact CA-O 3.24Å; G1828-V1892 WeakPolarHBondContact CA-O 3.19Å; W1829-V1892 HydrophobicContact CD2-CB 4.13Å; W1829-V1892 HydrophobicContact CD2-CG1 4.45Å; W1829-V1892 HydrophobicContact CH2-CB 4.41Å; W1829-V1892 HydrophobicContact CH2-CG1 3.7Å; W1829-V1892 HydrophobicContact CZ2-CB 3.88Å; W1829-V1892 HydrophobicContact CZ2-CG1 3.43Å; W1829-V1892 VanDerWaalsContact CZ2-CG1 3.43Å; W1829-V1892 HydrophobicContact CZ3-CG1 4.3Å; W1829-V1892 PolarHBondContact N-O 3.16Å; W1829-V1892 PolarHBondContact O-N 3.07Å; V1892-E1911 HydrophobicContact CG1-CG 4.25Å; V1892-E1911 HydrophobicContact CG2-CG 4.23Å |
| 1893 | L | 96.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.1 | 175.8 | -60.5 | 175.4 | 0 | 0 | 0 | 109.5 | L1801 K1827 F1856 L1891 T1909 L1910 F1956 I1970 M1972 | L1801-L1893 HydrophobicContact CD2-CD1 3.93Å; L1801-L1893 HydrophobicContact CD2-CD2 3.6Å; L1801-L1893 HydrophobicContact CD2-CG 4.4Å; K1827-L1893 CarbonylContact O-C 3.48Å; K1827-L1893 VanDerWaalsContact O-CA 3.31Å; K1827-L1893 WeakPolarHBondContact O-CA 3.37Å; F1856-L1893 HydrophobicContact CE2-CD2 4.45Å; L1891-L1893 HydrophobicContact CD1-CD2 4.25Å; L1891-L1893 HydrophobicContact CD2-CD1 4.19Å; L1891-L1893 HydrophobicContact CD2-CG 4.31Å; L1891-L1893 HydrophobicContact CG-CD2 4.37Å; L1891-L1893 HydrophobicContact CG-CG 4.18Å; L1893-T1909 CarbonylContact O-C 3.55Å; L1893-T1909 WeakPolarHBondContact O-CA 3.42Å; L1893-T1909 PolarHBondContact O-OG1 2.95Å; L1893-L1910 HydrophobicContact CB-CB 4.34Å; L1893-L1910 HydrophobicContact CD1-CD2 4.27Å; L1893-L1910 PolarHBondContact N-O 3.44Å; L1893-L1910 PolarHBondContact O-N 3.17Å; L1893-F1956 HydrophobicContact CB-CE1 3.95Å; L1893-F1956 HydrophobicContact CB-CZ 4.3Å; L1893-I1970 HydrophobicContact CD1-CD1 4.29Å; L1893-M1972 HydrophobicContact CD1-CE 3.88Å; L1893-M1972 HydrophobicContact CD1-SD 3.34Å; L1893-M1972 WeakPolarHBondContact CD1-SD 3.44Å |
| 1894 | Q | 94.3 | Very high | 83.9 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.2 | 178.2 | -62.7 | -178.2 | -27.4 | 0 | 0 | 111.2 | V1826 K1827 W1829 W1896 F1906 G1908 | V1826-Q1894 CarbonylContact C-O 3.59Å; V1826-Q1894 VanDerWaalsContact CA-O 3.27Å; V1826-Q1894 WeakPolarHBondContact CA-O 3.45Å; V1826-Q1894 WeakPolarHBondContact CG1-O 3.33Å; K1827-Q1894 HydrophobicContact CB-CB 4.49Å; K1827-Q1894 PolarHBondContact N-O 3.25Å; K1827-Q1894 PolarHBondContact O-N 3.47Å; W1829-Q1894 VanDerWaalsContact CH2-CD 3.5Å; W1829-Q1894 HydrophobicContact CH2-CG 4.04Å; W1829-Q1894 HydrophobicContact CZ3-CG 4.21Å; Q1894-W1896 VanDerWaalsContact CB-NE1 3.27Å; Q1894-W1896 VanDerWaalsContact OE1-NE1 3.14Å; Q1894-F1906 HydrophobicContact CB-CE2 4.26Å; Q1894-F1906 HydrophobicContact CG-CE2 4.14Å; Q1894-G1908 CarbonylContact C-O 3.51Å; Q1894-G1908 VanDerWaalsContact CA-O 3.23Å; Q1894-G1908 WeakPolarHBondContact CA-O 3.45Å |
| 1895 | V | 93.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.5 | 173.3 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | V1809 I1824 I1907 G1908 F1956 | V1809-V1895 HydrophobicContact CG1-CG2 4.09Å; V1809-V1895 HydrophobicContact CG2-CG2 4.4Å; I1824-V1895 HydrophobicContact CG2-CG2 3.64Å; V1895-I1907 HydrophobicContact CG1-CB 3.99Å; V1895-I1907 HydrophobicContact CG1-CG2 4.09Å; V1895-I1907 HydrophobicContact CG2-CD1 4.39Å; V1895-I1907 WeakPolarHBondContact O-CB 3.39Å; V1895-I1907 PolarHBondContact O-N 3.37Å; V1895-G1908 PolarHBondContact N-O 3.49Å; V1895-G1908 PolarHBondContact O-N 3.12Å; V1895-F1956 HydrophobicContact CB-CD2 3.89Å; V1895-F1956 HydrophobicContact CB-CE1 4.46Å; V1895-F1956 HydrophobicContact CB-CE2 3.67Å; V1895-F1956 HydrophobicContact CB-CG 4.36Å; V1895-F1956 HydrophobicContact CB-CZ 3.99Å; V1895-F1956 HydrophobicContact CG1-CB 4Å; V1895-F1956 HydrophobicContact CG1-CD1 4.03Å; V1895-F1956 HydrophobicContact CG1-CD2 3.46Å; V1895-F1956 VanDerWaalsContact CG1-CD2 3.46Å; V1895-F1956 HydrophobicContact CG1-CE1 4.36Å; V1895-F1956 HydrophobicContact CG1-CE2 3.8Å; V1895-F1956 HydrophobicContact CG1-CG 3.58Å; V1895-F1956 HydrophobicContact CG1-CZ 4.24Å; V1895-F1956 HydrophobicContact CG2-CE2 4.49Å |
| 1896 | W | 92.5 | Very high | 85 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150 | -171.2 | -68.4 | 77.3 | 0 | 0 | 0 | 110.8 | I1824 Y1825 Q1894 D1904 D1905 F1906 | I1824-W1896 WeakPolarHBondContact CA-O 3.2Å; Y1825-W1896 HydrophobicContact CD1-CB 3.89Å; Y1825-W1896 HydrophobicContact CE1-CB 3.35Å; Y1825-W1896 HydrophobicContact CE1-CG 4.3Å; Y1825-W1896 HydrophobicContact CE2-CB 4.13Å; Y1825-W1896 HydrophobicContact CE2-CG 4.41Å; Y1825-W1896 HydrophobicContact CG-CB 4.5Å; Y1825-W1896 VanDerWaalsContact CZ-CB 3.48Å; Y1825-W1896 AromaticContact CZ-CG 3.95Å; Y1825-W1896 PolarHBondContact N-O 2.79Å; Y1825-W1896 PolarHBondContact O-N 3.49Å; Q1894-W1896 VanDerWaalsContact CB-NE1 3.27Å; Q1894-W1896 VanDerWaalsContact OE1-NE1 3.14Å; W1896-D1904 HydrophobicContact CE3-CB 3.91Å; W1896-D1904 VanDerWaalsContact CE3-O 3.3Å; W1896-D1904 WeakPolarHBondContact CZ3-O 3.15Å; W1896-D1905 CarbonylContact C-O 3.5Å; W1896-D1905 VanDerWaalsContact CA-O 3.26Å; W1896-D1905 WeakPolarHBondContact CA-O 3.27Å; W1896-F1906 HydrophobicContact CD2-CB 4.4Å; W1896-F1906 HydrophobicContact CD2-CD2 4.46Å; W1896-F1906 AromaticContact CE2-CD2 3.91Å; W1896-F1906 HydrophobicContact CE3-CB 4.06Å; W1896-F1906 HydrophobicContact CH2-CB 3.84Å; W1896-F1906 HydrophobicContact CH2-CD2 4.35Å; W1896-F1906 HydrophobicContact CZ2-CB 4.19Å; W1896-F1906 AromaticContact CZ2-CD2 3.86Å; W1896-F1906 HydrophobicContact CZ2-CD2 3.86Å; W1896-F1906 HydrophobicContact CZ2-CG 4.46Å; W1896-F1906 HydrophobicContact CZ3-CB 3.77Å |
| 1897 | D | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.2 | 166.3 | -151.7 | -15.3 | 0 | 0 | 0 | 109.2 | S1822 D1823 D1899 D1904 D1905 I1907 | S1822-D1897 WeakPolarHBondContact CB-OD2 3.37Å; S1822-D1897 PolarHBondContact OG-OD2 2.53Å; D1823-D1897 WeakPolarHBondContact CA-OD1 3.34Å; D1823-D1897 PolarHBondContact N-OD1 3Å; D1897-D1899 PolarHBondContact O-N 2.76Å; D1897-D1904 CarbonylContact O-C 3.49Å; D1897-D1904 WeakPolarHBondContact O-CA 3.06Å; D1897-D1904 WeakPolarHBondContact O-CB 3.48Å; D1897-D1905 HydrophobicContact CB-CB 4.06Å; D1897-D1905 PolarHBondContact N-O 3.09Å; D1897-D1905 PolarHBondContact O-N 2.79Å; D1897-D1905 VanDerWaalsContact O-N 3.09Å; D1897-I1907 HydrophobicContact CB-CD1 4Å; D1897-I1907 HydrophobicContact CB-CG1 4.39Å |
| 1898 | N | 83.9 | Confident | 85.8 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 15% | 0.15 | 24% | 0.236 | C | C | . | . | trans | -89 | 105.3 | -179.8 | 178.6 | -128.7 | 0 | 0 | 0 | 111.3 | D1823 Y1825 V1841 Y1843 D1904 | D1823-N1898 HydrophobicContact CB-CB 3.99Å; D1823-N1898 WeakPolarHBondContact CB-O 3.37Å; D1823-N1898 WeakPolarHBondContact O-CB 2.99Å; D1823-N1898 PolarHBondContact O-N 3.03Å; Y1825-N1898 HydrophobicContact CD1-CB 3.88Å; Y1825-N1898 HydrophobicContact CE1-CB 4.01Å; V1841-N1898 HydrophobicContact CG1-CB 3.71Å; V1841-N1898 HydrophobicContact CG2-CB 4Å; Y1843-N1898 PolarHBondContact OH-OD1 3.3Å; N1898-D1904 WeakPolarHBondContact CA-OD1 3.05Å; N1898-D1904 PolarHBondContact ND2-OD1 3.23Å | ||
| 1899 | D | 81.8 | Confident | 86.3 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | trans | -91.4 | 132.5 | 178.8 | -84.1 | 1.9 | 0 | 0 | 0 | 111.3 | D1897 S1902 D1904 | D1897-D1899 PolarHBondContact O-N 2.76Å; D1899-S1902 WeakPolarHBondContact CB-O 3.42Å; D1899-S1902 WeakPolarHBondContact CB-OG 3.4Å; D1899-S1902 VanDerWaalsContact CG-OG 3.28Å; D1899-S1902 WeakPolarHBondContact OD2-CB 3.33Å; D1899-S1902 PolarHBondContact OD2-OG 3.25Å; D1899-D1904 PolarHBondContact N-OD1 2.55Å; D1899-D1904 VanDerWaalsContact N-OD1 3.09Å | ||
| 1900 | L | 69.3 | Low | 86.7 | Confident | 94 Ų | 94 | 41.4 Ų | 41.4 | 49% | 0.492 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -76.7 | -30.4 | -177.2 | -167.1 | 66.6 | 0 | 0 | 0 | 113.1 | L2011 | L1900-L2011 HydrophobicContact CD1-CD2 3.96Å; L1900-L2011 HydrophobicContact CD2-CD2 4.23Å |
| 1901 | F | 72.6 | Confident | 86.8 | Confident | 196 Ų | 196 | 43.4 Ų | 43.4 | 86% | 0.86 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -126.4 | -3.6 | -173.2 | -59.2 | -69.4 | 0 | 0 | 0 | 114 | ||
| 1902 | S | 72.1 | Confident | 86.7 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -120.7 | 163.8 | 174.3 | 18.1 | 0 | 0 | 0 | 0 | 109.8 | D1899 | D1899-S1902 WeakPolarHBondContact CB-O 3.42Å; D1899-S1902 WeakPolarHBondContact CB-OG 3.4Å; D1899-S1902 VanDerWaalsContact CG-OG 3.28Å; D1899-S1902 WeakPolarHBondContact OD2-CB 3.33Å; D1899-S1902 PolarHBondContact OD2-OG 3.25Å |
| 1903 | P | 77.6 | Confident | 86.4 | Confident | 114 Ų | 114 | 45 Ų | 45 | 74% | 0.74 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -56.7 | 136.7 | 164 | -17.7 | 30.9 | 0 | 0 | 0 | 109.9 | D1905 | P1903-D1905 PolarHBondContact O-N 3.01Š|
| 1904 | D | 82.9 | Confident | 86 | Confident | 41 Ų | 41 | 45 Ų | 45 | 22% | 0.219 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -51.1 | 134.4 | 175.3 | -64.4 | -21.9 | 0 | 0 | 0 | 111.5 | Y1825 W1896 D1897 N1898 D1899 | Y1825-D1904 HydrophobicContact CE1-CB 4.24Å; Y1825-D1904 WeakPolarHBondContact CE1-OD2 3.07Å; Y1825-D1904 VanDerWaalsContact CZ-OD2 3.32Å; Y1825-D1904 PolarHBondContact OH-OD2 2.84Å; W1896-D1904 HydrophobicContact CE3-CB 3.91Å; W1896-D1904 VanDerWaalsContact CE3-O 3.3Å; W1896-D1904 WeakPolarHBondContact CZ3-O 3.15Å; D1897-D1904 CarbonylContact O-C 3.49Å; D1897-D1904 WeakPolarHBondContact O-CA 3.06Å; D1897-D1904 WeakPolarHBondContact O-CB 3.48Å; N1898-D1904 WeakPolarHBondContact CA-OD1 3.05Å; N1898-D1904 PolarHBondContact ND2-OD1 3.23Å; D1899-D1904 PolarHBondContact N-OD1 2.55Å; D1899-D1904 VanDerWaalsContact N-OD1 3.09Å |
| 1905 | D | 84.7 | Confident | 85.4 | Confident | 76 Ų | 76 | 43.8 Ų | 43.8 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.2 | -179.6 | -77.6 | -28.2 | 0 | 0 | 0 | 111.3 | W1896 D1897 P1903 | W1896-D1905 CarbonylContact C-O 3.5Å; W1896-D1905 VanDerWaalsContact CA-O 3.26Å; W1896-D1905 WeakPolarHBondContact CA-O 3.27Å; D1897-D1905 HydrophobicContact CB-CB 4.06Å; D1897-D1905 PolarHBondContact N-O 3.09Å; D1897-D1905 PolarHBondContact O-N 2.79Å; D1897-D1905 VanDerWaalsContact O-N 3.09Å; P1903-D1905 PolarHBondContact O-N 3.01Å |
| 1906 | F | 88.3 | Confident | 84.9 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 21% | 0.211 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 121.9 | 175.5 | 170.2 | -104.6 | 0 | 0 | 0 | 110.2 | Q1894 W1896 G1908 T1909 N1958 | Q1894-F1906 HydrophobicContact CB-CE2 4.26Å; Q1894-F1906 HydrophobicContact CG-CE2 4.14Å; W1896-F1906 HydrophobicContact CD2-CB 4.4Å; W1896-F1906 HydrophobicContact CD2-CD2 4.46Å; W1896-F1906 AromaticContact CE2-CD2 3.91Å; W1896-F1906 HydrophobicContact CE3-CB 4.06Å; W1896-F1906 HydrophobicContact CH2-CB 3.84Å; W1896-F1906 HydrophobicContact CH2-CD2 4.35Å; W1896-F1906 HydrophobicContact CZ2-CB 4.19Å; W1896-F1906 AromaticContact CZ2-CD2 3.86Å; W1896-F1906 HydrophobicContact CZ2-CD2 3.86Å; W1896-F1906 HydrophobicContact CZ2-CG 4.46Å; W1896-F1906 HydrophobicContact CZ3-CB 3.77Å; F1906-G1908 VanDerWaalsContact CE2-O 3.27Å; F1906-G1908 WeakPolarHBondContact CE2-O 3.44Å; F1906-G1908 VanDerWaalsContact CZ-CA 3.45Å; F1906-T1909 HydrophobicContact CZ-CG2 4.27Å; F1906-N1958 HydrophobicContact CE1-CB 4.38Å |
| 1907 | I | 85.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -42.4 | -179.1 | -58.7 | 171.2 | 0 | 0 | 0 | 110.9 | V1809 V1810 V1895 D1897 N1958 T1967 | V1809-I1907 HydrophobicContact CG1-CD1 3.74Å; V1809-I1907 HydrophobicContact CG1-CG2 3.97Å; V1810-I1907 HydrophobicContact CB-CG2 4.33Å; V1895-I1907 HydrophobicContact CG1-CB 3.99Å; V1895-I1907 HydrophobicContact CG1-CG2 4.09Å; V1895-I1907 HydrophobicContact CG2-CD1 4.39Å; V1895-I1907 WeakPolarHBondContact O-CB 3.39Å; V1895-I1907 PolarHBondContact O-N 3.37Å; D1897-I1907 HydrophobicContact CB-CD1 4Å; D1897-I1907 HydrophobicContact CB-CG1 4.39Å; I1907-N1958 WeakPolarHBondContact O-CB 3.35Å; I1907-T1967 WeakPolarHBondContact O-CB 3.02Å; I1907-T1967 VanDerWaalsContact O-CG2 3.28Å; I1907-T1967 WeakPolarHBondContact O-CG2 3.3Å; I1907-T1967 PolarHBondContact O-OG1 2.85Å |
| 1908 | G | 89.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 163.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1894 V1895 F1906 V1957 T1967 | Q1894-G1908 CarbonylContact C-O 3.51Å; Q1894-G1908 VanDerWaalsContact CA-O 3.23Å; Q1894-G1908 WeakPolarHBondContact CA-O 3.45Å; V1895-G1908 PolarHBondContact N-O 3.49Å; V1895-G1908 PolarHBondContact O-N 3.12Å; F1906-G1908 VanDerWaalsContact CE2-O 3.27Å; F1906-G1908 WeakPolarHBondContact CE2-O 3.44Å; F1906-G1908 VanDerWaalsContact CZ-CA 3.45Å; G1908-V1957 CarbonylContact C-O 3.49Å; G1908-V1957 WeakPolarHBondContact CA-O 3.18Å; G1908-T1967 WeakPolarHBondContact CA-OG1 3.15Å |
| 1909 | T | 94 | Very high | 84.5 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155 | -178.4 | -167.3 | 0 | 0 | 0 | 0 | 112 | L1893 F1906 V1957 | L1893-T1909 CarbonylContact O-C 3.55Å; L1893-T1909 WeakPolarHBondContact O-CA 3.42Å; L1893-T1909 PolarHBondContact O-OG1 2.95Å; F1906-T1909 HydrophobicContact CZ-CG2 4.27Å; T1909-V1957 PolarHBondContact N-O 2.7Å; T1909-V1957 PolarHBondContact O-N 2.69Å |
| 1910 | L | 93.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 118.6 | 175.8 | 168.3 | 61.4 | 0 | 0 | 0 | 108 | L1893 L1912 L1932 W1954 F1956 I1970 M1972 | L1893-L1910 HydrophobicContact CB-CB 4.34Å; L1893-L1910 HydrophobicContact CD1-CD2 4.27Å; L1893-L1910 PolarHBondContact N-O 3.44Å; L1893-L1910 PolarHBondContact O-N 3.17Å; L1910-L1912 HydrophobicContact CD1-CD1 4.24Å; L1910-L1912 HydrophobicContact CD1-CD2 3.83Å; L1910-L1912 HydrophobicContact CD1-CG 3.84Å; L1910-L1912 HydrophobicContact CD2-CD1 4.02Å; L1910-L1912 HydrophobicContact CD2-CG 4.47Å; L1910-L1912 HydrophobicContact CG-CD1 4.07Å; L1910-L1912 HydrophobicContact CG-CG 3.99Å; L1910-L1932 HydrophobicContact CD1-CD1 4.4Å; L1910-L1932 HydrophobicContact CD1-CD2 4.05Å; L1910-W1954 HydrophobicContact CD1-CB 4.35Å; L1910-W1954 HydrophobicContact CD2-CB 3.51Å; L1910-W1954 HydrophobicContact CD2-CG 4.26Å; L1910-F1956 HydrophobicContact CB-CD1 3.62Å; L1910-F1956 HydrophobicContact CB-CE1 3.71Å; L1910-I1970 HydrophobicContact CD2-CG2 3.83Å; L1910-M1972 HydrophobicContact CD2-CE 4.16Å |
| 1911 | E | 91.5 | Very high | 85.8 | Confident | 102 Ų | 102 | 43.1 Ų | 43.1 | 48% | 0.477 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.2 | 177.7 | -60 | -170.3 | -175.4 | 0 | 0 | 110.4 | Q1890 L1891 V1892 | Q1890-E1911 PolarHBondContact NE2-OE2 3.15Å; L1891-E1911 CarbonylContact O-C 3.33Å; L1891-E1911 WeakPolarHBondContact O-CA 3.44Å; V1892-E1911 HydrophobicContact CG1-CG 4.25Å; V1892-E1911 HydrophobicContact CG2-CG 4.23Å |
| 1912 | L | 91.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117.5 | -174.6 | -65.7 | 171.5 | 0 | 0 | 0 | 110.2 | Q1890 L1891 L1910 L1914 M1917 P1918 W1954 M1972 | Q1890-L1912 CarbonylContact C-O 3.5Å; Q1890-L1912 WeakPolarHBondContact CA-O 3.23Å; L1891-L1912 PolarHBondContact N-O 2.62Å; L1891-L1912 PolarHBondContact O-N 3.17Å; L1910-L1912 HydrophobicContact CD1-CD1 4.24Å; L1910-L1912 HydrophobicContact CD1-CD2 3.83Å; L1910-L1912 HydrophobicContact CD1-CG 3.84Å; L1910-L1912 HydrophobicContact CD2-CD1 4.02Å; L1910-L1912 HydrophobicContact CD2-CG 4.47Å; L1910-L1912 HydrophobicContact CG-CD1 4.07Å; L1910-L1912 HydrophobicContact CG-CG 3.99Å; L1912-L1914 PolarHBondContact O-N 3.12Å; L1912-M1917 HydrophobicContact CB-CB 4.41Å; L1912-M1917 HydrophobicContact CB-CE 4.36Å; L1912-M1917 HydrophobicContact CD1-CE 3.78Å; L1912-M1917 HydrophobicContact CD2-CB 4.19Å; L1912-M1917 HydrophobicContact CD2-CE 4.32Å; L1912-M1917 HydrophobicContact CG-CE 4.39Å; L1912-P1918 HydrophobicContact CD2-CG 4.11Å; L1912-W1954 HydrophobicContact CD1-CG 4.44Å; L1912-M1972 HydrophobicContact CD1-CE 3.52Å |
| 1913 | N | 88.3 | Confident | 87.2 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 23% | 0.225 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 108.8 | 166.4 | -178.7 | -11.1 | 0 | 0 | 0 | 108.8 | P1889 S1915 N1916 M1917 | P1889-N1913 CarbonylContact O-C 3.57Å; N1913-S1915 PolarHBondContact ND2-OG 3.47Å; N1913-S1915 PolarHBondContact O-N 3.29Å; N1913-S1915 PolarHBondContact OD1-N 2.95Å; N1913-S1915 VanDerWaalsContact OD1-N 3.12Å; N1913-S1915 PolarHBondContact OD1-OG 3.45Å; N1913-N1916 CarbonylContact O-C 3.52Å; N1913-N1916 PolarHBondContact O-N 3.3Å; N1913-M1917 VanDerWaalsContact O-CB 3.28Å; N1913-M1917 WeakPolarHBondContact O-CB 3.13Å; N1913-M1917 PolarHBondContact O-N 3.19Å; N1913-M1917 VanDerWaalsContact O-N 3.15Å |
| 1914 | L | 87.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27.1 | -175.3 | -60.6 | -179.6 | 0 | 0 | 0 | 113.2 | L1799 L1830 F1860 P1889 L1891 L1912 L1944 F1945 | L1799-L1914 HydrophobicContact CD2-CD1 4.04Å; L1799-L1914 HydrophobicContact CD2-CD2 4.24Å; L1830-L1914 HydrophobicContact CD2-CD1 3.79Å; F1860-L1914 HydrophobicContact CZ-CD1 4.45Å; P1889-L1914 HydrophobicContact CB-CB 4.19Å; P1889-L1914 HydrophobicContact CB-CD1 4.31Å; P1889-L1914 HydrophobicContact CB-CG 4.5Å; P1889-L1914 WeakPolarHBondContact O-CB 3.42Å; P1889-L1914 WeakPolarHBondContact O-CG 3.46Å; P1889-L1914 PolarHBondContact O-N 3.19Å; L1891-L1914 HydrophobicContact CB-CD2 3.85Å; L1891-L1914 HydrophobicContact CB-CG 4.41Å; L1891-L1914 HydrophobicContact CD2-CD2 4.37Å; L1912-L1914 PolarHBondContact O-N 3.12Å; L1914-L1944 HydrophobicContact CB-CB 4.47Å; L1914-L1944 HydrophobicContact CD2-CD2 3.89Å; L1914-L1944 VanDerWaalsContact O-CB 3.27Å; L1914-L1944 WeakPolarHBondContact O-CB 3.29Å; L1914-L1944 PolarHBondContact O-N 3.09Å; L1914-F1945 HydrophobicContact CB-CE2 3.78Å; L1914-F1945 HydrophobicContact CB-CZ 4.33Å; L1914-F1945 HydrophobicContact CD1-CZ 4.43Å |
| 1915 | S | 81.7 | Confident | 87.5 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -20 | 176.6 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | N1867 N1913 N1943 | N1867-S1915 WeakPolarHBondContact ND2-CB 3.5Å; N1867-S1915 PolarHBondContact ND2-OG 3.41Å; N1867-S1915 WeakPolarHBondContact OD1-CB 3.34Å; N1867-S1915 PolarHBondContact OD1-OG 2.91Å; N1867-S1915 VanDerWaalsContact OD1-OG 3.13Å; N1913-S1915 PolarHBondContact ND2-OG 3.47Å; N1913-S1915 PolarHBondContact O-N 3.29Å; N1913-S1915 PolarHBondContact OD1-N 2.95Å; N1913-S1915 VanDerWaalsContact OD1-N 3.12Å; N1913-S1915 PolarHBondContact OD1-OG 3.45Å; S1915-N1943 WeakPolarHBondContact O-CA 3.44Å; S1915-N1943 WeakPolarHBondContact O-CB 3.45Å; S1915-N1943 VanDerWaalsContact O-CG 3.28Å |
| 1916 | N | 83.9 | Confident | 87.5 | Confident | 87 Ų | 87 | 44.5 Ų | 44.5 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -153.3 | 73.7 | -173.6 | -164 | 23.1 | 0 | 0 | 0 | 110.8 | N1913 L1941 | N1913-N1916 CarbonylContact O-C 3.52Å; N1913-N1916 PolarHBondContact O-N 3.3Å; N1916-L1941 WeakPolarHBondContact OD1-CB 3.39Å; N1916-L1941 WeakPolarHBondContact OD1-CD1 3.49Å |
| 1917 | M | 86.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.1 | -174.9 | 52.5 | -173 | -63.7 | 0 | 0 | 112.3 | L1912 N1913 S1919 L1941 V1942 L1944 L1950 W1954 M1974 | L1912-M1917 HydrophobicContact CB-CB 4.41Å; L1912-M1917 HydrophobicContact CB-CE 4.36Å; L1912-M1917 HydrophobicContact CD1-CE 3.78Å; L1912-M1917 HydrophobicContact CD2-CB 4.19Å; L1912-M1917 HydrophobicContact CD2-CE 4.32Å; L1912-M1917 HydrophobicContact CG-CE 4.39Å; N1913-M1917 VanDerWaalsContact O-CB 3.28Å; N1913-M1917 WeakPolarHBondContact O-CB 3.13Å; N1913-M1917 PolarHBondContact O-N 3.19Å; N1913-M1917 VanDerWaalsContact O-N 3.15Å; M1917-S1919 PolarHBondContact O-N 3.15Å; M1917-L1941 CarbonylContact O-C 3.36Å; M1917-L1941 WeakPolarHBondContact O-CA 3.43Å; M1917-V1942 VanDerWaalsContact CG-O 3.25Å; M1917-V1942 WeakPolarHBondContact CG-O 3.43Å; M1917-V1942 PolarHBondContact N-O 2.86Å; M1917-V1942 PolarHBondContact O-N 3.31Å; M1917-L1944 HydrophobicContact SD-CB 4.34Å; M1917-L1950 HydrophobicContact CE-CD1 4.48Å; M1917-L1950 HydrophobicContact SD-CD1 4.19Å; M1917-W1954 HydrophobicContact CE-CZ2 3.6Å; M1917-M1974 HydrophobicContact CE-CE 3.28Å; M1917-M1974 HydrophobicContact CE-SD 3.98Å; M1917-M1974 HydrophobicContact SD-CE 4.27Å |
| 1918 | P | 85.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 135.1 | 174.2 | 24.1 | -32.6 | 0 | 0 | 0 | 111.1 | L1912 M1931 L1932 W1954 | L1912-P1918 HydrophobicContact CD2-CG 4.11Å; P1918-M1931 VanDerWaalsContact CB-O 3.26Å; P1918-M1931 WeakPolarHBondContact CB-O 3.15Å; P1918-L1932 HydrophobicContact CG-CD2 4.11Å; P1918-W1954 PolarHBondContact O-NE1 2.83Å; P1918-W1954 VanDerWaalsContact O-NE1 3.08Å |
| 1919 | S | 85.4 | Confident | 87.3 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 135.2 | 178.3 | 67 | 0 | 0 | 0 | 0 | 110.8 | M1917 M1931 K1940 | M1917-S1919 PolarHBondContact O-N 3.15Å; S1919-M1931 VanDerWaalsContact O-CE 3.27Å; S1919-M1931 WeakPolarHBondContact O-CE 3.39Å; S1919-K1940 WeakPolarHBondContact CB-O 3.47Å; S1919-K1940 PolarHBondContact N-O 2.87Å; S1919-K1940 PolarHBondContact OG-O 3.3Å |
| 1920 | P | 90.1 | Very high | 86.6 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 143.6 | 178.1 | 14.3 | -21.2 | 0 | 0 | 0 | 111.7 | L1950 N1951 W1954 | P1920-L1950 HydrophobicContact CG-CD2 4.12Å; P1920-N1951 WeakPolarHBondContact CG-O 3.43Å; P1920-W1954 HydrophobicContact CB-CD2 4.14Å; P1920-W1954 HydrophobicContact CB-CE3 4.15Å; P1920-W1954 HydrophobicContact CB-CH2 3.39Å; P1920-W1954 HydrophobicContact CB-CZ2 3.32Å; P1920-W1954 HydrophobicContact CB-CZ3 3.79Å; P1920-W1954 HydrophobicContact CG-CH2 3.54Å; P1920-W1954 HydrophobicContact CG-CZ2 3.44Å; P1920-W1954 VanDerWaalsContact CG-CZ2 3.44Å; P1920-W1954 HydrophobicContact CG-CZ3 4.39Å |
| 1921 | S | 89.1 | Confident | 86.1 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 136.3 | 165.6 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | T1923 K1926 C1927 G1952 F1953 | S1921-T1923 VanDerWaalsContact C-N 3.32Å; S1921-T1923 PolarHBondContact OG-N 2.94Å; S1921-T1923 PolarHBondContact OG-O 2.75Å; S1921-K1926 VanDerWaalsContact OG-CB 3.31Å; S1921-K1926 WeakPolarHBondContact OG-CB 3.32Å; S1921-C1927 PolarHBondContact OG-N 3.47Å; S1921-G1952 CarbonylContact O-C 3.4Å; S1921-G1952 WeakPolarHBondContact O-CA 3.49Å; S1921-F1953 PolarHBondContact N-O 2.71Å; S1921-F1953 WeakPolarHBondContact O-CD2 3.32Å; S1921-F1953 PolarHBondContact O-N 3.35Å |
| 1922 | K | 87.3 | Confident | 85.4 | Confident | 138 Ų | 138 | 48.5 Ų | 48.5 | 60% | 0.6 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -78.8 | -15.7 | 176 | -66 | -59.5 | -177.6 | -169.1 | 0 | 113.6 | N1951 | K1922-N1951 PolarHBondContact NZ-O 2.81Å; K1922-N1951 PolarHBondContact NZ-OD1 3.22Å |
| 1923 | T | 86.9 | Confident | 84.1 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -136.1 | 143.1 | 177.9 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | S1921 G1925 K1926 | S1921-T1923 VanDerWaalsContact C-N 3.32Å; S1921-T1923 PolarHBondContact OG-N 2.94Å; S1921-T1923 PolarHBondContact OG-O 2.75Å; T1923-G1925 PolarHBondContact O-N 3.43Å; T1923-G1925 VanDerWaalsContact O-N 3.16Å; T1923-K1926 PolarHBondContact O-N 3.04Å; T1923-K1926 VanDerWaalsContact O-N 3.1Å |
| 1924 | R | 85.2 | Confident | 82.5 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 28% | 0.275 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -50.2 | -39.3 | 177.3 | 174.5 | -176.3 | 170.3 | 176.6 | 4 | 113.6 | F1807 D1808 E1849 K1926 C1927 F1953 K1969 | F1807-R1924 HydrophobicContact CB-CG 4.31Å; D1808-R1924 IonicContact OD1-CZ 3.62Å; D1808-R1924 IonicContact OD1-NE 2.81Å; D1808-R1924 IonicContact OD1-NH2 3.95Å; D1808-R1924 PolarHBondContact OD1-NH2 2.91Å; D1808-R1924 IonicContact OD2-CZ 3.47Å; D1808-R1924 IonicContact OD2-NE 3.78Å; D1808-R1924 PolarHBondContact OD2-NE 3.49Å; D1808-R1924 VanDerWaalsContact OD2-NE 3.1Å; D1808-R1924 IonicContact OD2-NH2 3.47Å; E1849-R1924 IonicContact OE1-CZ 3.1Å; E1849-R1924 IonicContact OE1-NH1 3.82Å; E1849-R1924 PolarHBondContact OE1-NH1 3.25Å; E1849-R1924 IonicContact OE1-NH2 2.84Å; R1924-K1926 VanDerWaalsContact C-N 3.28Å; R1924-K1926 PolarHBondContact O-N 3.43Å; R1924-C1927 WeakPolarHBondContact O-CB 3.29Å; R1924-C1927 PolarHBondContact O-N 3.46Å; R1924-F1953 HydrophobicContact CB-CD1 4.24Å; R1924-F1953 HydrophobicContact CB-CE1 4.02Å; R1924-F1953 HydrophobicContact CB-CZ 4.31Å; R1924-K1969 HydrophobicContact CG-CD 4.16Å; R1924-K1969 PolarHBondContact O-NZ 2.86Å |
| 1925 | G | 81.7 | Confident | 80.4 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 75% | 0.753 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -67.7 | -23.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1923 | T1923-G1925 PolarHBondContact O-N 3.43Å; T1923-G1925 VanDerWaalsContact O-N 3.16Å |
| 1926 | K | 85.6 | Confident | 78.7 | Confident | 162 Ų | 162 | 63.6 Ų | 63.6 | 70% | 0.704 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -95.8 | -4.3 | 177.5 | -71.2 | -174.2 | 177.9 | -173.4 | 0 | 113.6 | S1921 T1923 R1924 S1928 | S1921-K1926 VanDerWaalsContact OG-CB 3.31Å; S1921-K1926 WeakPolarHBondContact OG-CB 3.32Å; T1923-K1926 PolarHBondContact O-N 3.04Å; T1923-K1926 VanDerWaalsContact O-N 3.1Å; R1924-K1926 VanDerWaalsContact C-N 3.28Å; R1924-K1926 PolarHBondContact O-N 3.43Å; K1926-S1928 PolarHBondContact O-N 3.45Å |
| 1927 | C | 89.6 | Confident | 77 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.014 | 39% | 0.389 | C | S | . | . | trans | -80.5 | 113.1 | 176.7 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | S1921 R1924 M1931 F1953 P1955 K1969 | S1921-C1927 PolarHBondContact OG-N 3.47Å; R1924-C1927 WeakPolarHBondContact O-CB 3.29Å; R1924-C1927 PolarHBondContact O-N 3.46Å; C1927-M1931 HydrophobicContact CB-SD 4.36Å; C1927-F1953 HydrophobicContact CB-CB 3.84Å; C1927-P1955 VanDerWaalsContact SG-N 3.39Å; C1927-K1969 HydrophobicContact CB-CD 3.98Å; C1927-K1969 HydrophobicContact CB-CG 4.41Å; C1927-K1969 WeakPolarHBondContact O-CE 3.39Å; C1927-K1969 PolarHBondContact O-NZ 2.9Å | ||
| 1928 | S | 85.7 | Confident | 75.6 | Confident | 46 Ų | 46 | 76.4 Ų | 76.4 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | trans | -143.5 | 165.3 | -177.6 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | K1926 N1930 M1931 | K1926-S1928 PolarHBondContact O-N 3.45Å; S1928-N1930 PolarHBondContact O-N 2.9Å; S1928-N1930 VanDerWaalsContact O-N 3.14Å; S1928-M1931 WeakPolarHBondContact O-CB 3.5Å; S1928-M1931 WeakPolarHBondContact O-CG 3.28Å; S1928-M1931 PolarHBondContact O-N 3.16Å; S1928-M1931 VanDerWaalsContact O-N 3.09Å | ||
| 1929 | L | 83.3 | Confident | 74.5 | Confident | 26 Ų | 26 | 77.9 Ų | 77.9 | 14% | 0.136 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -55.5 | -30.1 | -179.8 | -155.6 | 88.4 | 0 | 0 | 0 | 113.4 | M1931 L1932 Q1933 V1957 P1964 L1966 | L1929-M1931 PolarHBondContact O-N 3.02Å; L1929-L1932 PolarHBondContact O-N 3.02Å; L1929-Q1933 HydrophobicContact CD2-CG 4.26Å; L1929-Q1933 HydrophobicContact CG-CG 4.45Å; L1929-Q1933 PolarHBondContact O-N 2.89Å; L1929-V1957 HydrophobicContact CD1-CB 4.33Å; L1929-V1957 HydrophobicContact CD1-CG1 4.05Å; L1929-V1957 HydrophobicContact CD1-CG2 3.47Å; L1929-V1957 VanDerWaalsContact CD1-CG2 3.47Å; L1929-P1964 HydrophobicContact CD2-CB 4.07Å; L1929-P1964 HydrophobicContact CD2-CG 4.11Å; L1929-P1964 VanDerWaalsContact CD2-O 3.23Å; L1929-P1964 WeakPolarHBondContact CD2-O 3.11Å; L1929-L1966 HydrophobicContact CD1-CB 4.06Å |
| 1930 | N | 80.4 | Confident | 73.8 | Confident | 113 Ų | 113 | 83.5 Ų | 83.5 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -57.7 | -21.3 | 178.3 | -66 | 3.9 | 0 | 0 | 0 | 113.3 | S1928 L1932 | S1928-N1930 PolarHBondContact O-N 2.9Å; S1928-N1930 VanDerWaalsContact O-N 3.14Å; N1930-L1932 PolarHBondContact O-N 3.41Å |
| 1931 | M | 81.3 | Confident | 73.3 | Confident | 23 Ų | 23 | 87.1 Ų | 87.1 | 11% | 0.113 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -64.2 | -24.7 | 174.8 | -65 | 176.5 | 63 | 0 | 0 | 113.1 | P1918 S1919 C1927 S1928 L1929 P1955 | P1918-M1931 VanDerWaalsContact CB-O 3.26Å; P1918-M1931 WeakPolarHBondContact CB-O 3.15Å; S1919-M1931 VanDerWaalsContact O-CE 3.27Å; S1919-M1931 WeakPolarHBondContact O-CE 3.39Å; C1927-M1931 HydrophobicContact CB-SD 4.36Å; S1928-M1931 WeakPolarHBondContact O-CB 3.5Å; S1928-M1931 WeakPolarHBondContact O-CG 3.28Å; S1928-M1931 PolarHBondContact O-N 3.16Å; S1928-M1931 VanDerWaalsContact O-N 3.09Å; L1929-M1931 PolarHBondContact O-N 3.02Å; M1931-P1955 HydrophobicContact CB-CG 4.36Å |
| 1932 | L | 78.2 | Confident | 73 | Confident | 64 Ų | 64 | 87.5 Ų | 87.5 | 34% | 0.335 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -25.8 | -177.8 | -63.2 | 172.7 | 0 | 0 | 0 | 113.2 | L1910 P1918 L1929 N1930 P1955 V1957 | L1910-L1932 HydrophobicContact CD1-CD1 4.4Å; L1910-L1932 HydrophobicContact CD1-CD2 4.05Å; P1918-L1932 HydrophobicContact CG-CD2 4.11Å; L1929-L1932 PolarHBondContact O-N 3.02Å; N1930-L1932 PolarHBondContact O-N 3.41Å; L1932-P1955 HydrophobicContact CD1-CG 3.77Å; L1932-P1955 HydrophobicContact CG-CG 3.95Å; L1932-V1957 HydrophobicContact CD1-CG2 3.37Å |
| 1933 | Q | 64.4 | Low | 72.8 | Confident | 105 Ų | 105 | 82.7 Ų | 82.7 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | trans | -89.6 | 1 | -166.2 | -77.7 | -168.4 | -38 | 0 | 0 | 117.2 | L1929 V1935 | L1929-Q1933 HydrophobicContact CD2-CG 4.26Å; L1929-Q1933 HydrophobicContact CG-CG 4.45Å; L1929-Q1933 PolarHBondContact O-N 2.89Å; Q1933-V1935 PolarHBondContact O-N 3.46Å | ||
| 1934 | S | 53.1 | Low | 72.8 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 33% | 0.329 | 44% | 0.438 | S | S | . | . | trans | -85.6 | 88.9 | -171.7 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | G1936 T1939 | S1934-G1936 VanDerWaalsContact C-N 3.3Å; S1934-G1936 PolarHBondContact O-N 3.05Å; S1934-T1939 PolarHBondContact OG-OG1 3.4Å | ||
| 1935 | V | 44.7 | Very low | 72.7 | Confident | 158 Ų | 158 | 76.8 Ų | 76.8 | 96% | 0.958 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -74.1 | 89.7 | 145.4 | -178.2 | 0 | 0 | 0 | 0 | 106.6 | Q1933 | Q1933-V1935 PolarHBondContact O-N 3.46Š|
| 1936 | G | 45.9 | Very low | 72.6 | Confident | 60 Ų | 60 | 80.4 Ų | 80.4 | 62% | 0.619 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 115.6 | 90.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | S1934 | S1934-G1936 VanDerWaalsContact C-N 3.3Å; S1934-G1936 PolarHBondContact O-N 3.05Å |
| 1937 | N | 47.5 | Very low | 72.4 | Confident | 165 Ų | 165 | 75.5 Ų | 75.5 | 88% | 0.882 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 94.9 | 2.3 | 142.9 | -73.4 | -1.7 | 0 | 0 | 0 | 125.9 | ||
| 1938 | E | 56.7 | Low | 72.2 | Confident | 192 Ų | 192 | 79.7 Ų | 79.7 | 90% | 0.897 | 43% | 0.428 | S | S | * | . | trans | -137.4 | -5.9 | 174.5 | -73.2 | -166.3 | 170.6 | 0 | 0 | 119 | ||||
| 1939 | T | 62.6 | Low | 72.3 | Confident | 48 Ų | 48 | 84.4 Ų | 84.4 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | trans | -86.3 | 126.3 | 173.9 | 46.1 | 0 | 0 | 0 | 0 | 111.9 | S1934 L1941 | S1934-T1939 PolarHBondContact OG-OG1 3.4Å; T1939-L1941 PolarHBondContact O-N 3.23Å | ||
| 1940 | K | 70.5 | Confident | 72.7 | Confident | 160 Ų | 160 | 84 Ų | 84 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | trans | -74.2 | 112.7 | 171.9 | -173.1 | 177.3 | -179.9 | 179.3 | 0 | 109.2 | S1919 | S1919-K1940 WeakPolarHBondContact CB-O 3.47Å; S1919-K1940 PolarHBondContact N-O 2.87Å; S1919-K1940 PolarHBondContact OG-O 3.3Å | ||
| 1941 | L | 80.4 | Confident | 73.2 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 151.4 | 174 | -60.7 | 166.5 | 0 | 0 | 0 | 110.8 | N1916 M1917 T1939 | N1916-L1941 WeakPolarHBondContact OD1-CB 3.39Å; N1916-L1941 WeakPolarHBondContact OD1-CD1 3.49Å; M1917-L1941 CarbonylContact O-C 3.36Å; M1917-L1941 WeakPolarHBondContact O-CA 3.43Å; T1939-L1941 PolarHBondContact O-N 3.23Å |
| 1942 | V | 82 | Confident | 73.8 | Confident | 21 Ų | 21 | 81.9 Ų | 81.9 | 13% | 0.127 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.6 | -177.4 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | M1917 C1947 L1950 | M1917-V1942 VanDerWaalsContact CG-O 3.25Å; M1917-V1942 WeakPolarHBondContact CG-O 3.43Å; M1917-V1942 PolarHBondContact N-O 2.86Å; M1917-V1942 PolarHBondContact O-N 3.31Å; V1942-C1947 HydrophobicContact CG1-CB 3.85Å; V1942-L1950 HydrophobicContact CB-CD1 4.34Å; V1942-L1950 HydrophobicContact CG1-CD1 3.84Å; V1942-L1950 HydrophobicContact CG1-CD2 4.16Å |
| 1943 | N | 83.1 | Confident | 74.5 | Confident | 38 Ų | 38 | 79.8 Ų | 79.8 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | trans | -103.5 | 115.8 | 172.2 | -174.8 | -18.4 | 0 | 0 | 0 | 109.4 | S1915 F1945 E1946 C1947 | S1915-N1943 WeakPolarHBondContact O-CA 3.44Å; S1915-N1943 WeakPolarHBondContact O-CB 3.45Å; S1915-N1943 VanDerWaalsContact O-CG 3.28Å; N1943-F1945 VanDerWaalsContact C-N 3.29Å; N1943-F1945 PolarHBondContact O-N 3.04Å; N1943-F1945 WeakPolarHBondContact OD1-CB 3.37Å; N1943-F1945 WeakPolarHBondContact OD1-CD2 3.36Å; N1943-F1945 PolarHBondContact OD1-N 3.4Å; N1943-E1946 HydrophobicContact CB-CB 4.34Å; N1943-E1946 HydrophobicContact CB-CG 4.17Å; N1943-E1946 PolarHBondContact O-N 3.35Å; N1943-C1947 WeakPolarHBondContact O-CB 3.08Å; N1943-C1947 PolarHBondContact O-N 2.81Å | ||
| 1944 | L | 86.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -26.8 | -179.6 | -173.4 | 72.4 | 0 | 0 | 0 | 112.5 | L1799 L1914 M1917 E1946 C1947 R1948 L1950 M1974 L1976 | L1799-L1944 HydrophobicContact CD1-CD2 3.61Å; L1914-L1944 HydrophobicContact CB-CB 4.47Å; L1914-L1944 HydrophobicContact CD2-CD2 3.89Å; L1914-L1944 VanDerWaalsContact O-CB 3.27Å; L1914-L1944 WeakPolarHBondContact O-CB 3.29Å; L1914-L1944 PolarHBondContact O-N 3.09Å; M1917-L1944 HydrophobicContact SD-CB 4.34Å; L1944-E1946 PolarHBondContact O-N 2.96Å; L1944-C1947 CarbonylContact O-C 3.47Å; L1944-R1948 WeakPolarHBondContact O-CA 3.43Å; L1944-R1948 PolarHBondContact O-N 2.88Å; L1944-L1950 HydrophobicContact CD1-CB 4.12Å; L1944-L1950 HydrophobicContact CD1-CD1 3.74Å; L1944-L1950 HydrophobicContact CD1-CG 4.04Å; L1944-M1974 HydrophobicContact CD1-CB 3.94Å; L1944-M1974 HydrophobicContact CD2-CB 4.18Å; L1944-M1974 HydrophobicContact CD2-SD 4.42Å; L1944-L1976 HydrophobicContact CD2-CB 4.26Å; L1944-L1976 HydrophobicContact CG-CB 4.21Å |
| 1945 | F | 83.1 | Confident | 77.9 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 10% | 0.096 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.2 | 176.9 | -62.5 | -85.7 | 0 | 0 | 0 | 112.2 | F1860 Y1862 P1889 L1914 N1943 R1948 L1976 | F1860-F1945 HydrophobicContact CE2-CE1 4.02Å; F1860-F1945 HydrophobicContact CE2-CZ 4.01Å; F1860-F1945 AromaticContact CZ-CE1 3.99Å; F1860-F1945 HydrophobicContact CZ-CE1 3.99Å; F1860-F1945 HydrophobicContact CZ-CZ 4.11Å; Y1862-F1945 AromaticContact CD1-CD1 3.43Å; Y1862-F1945 HydrophobicContact CD1-CD1 3.43Å; Y1862-F1945 VanDerWaalsContact CD1-CD1 3.43Å; Y1862-F1945 AromaticContact CD1-CE1 3.16Å; Y1862-F1945 HydrophobicContact CD1-CE1 3.16Å; Y1862-F1945 HydrophobicContact CD1-CE2 4.46Å; Y1862-F1945 HydrophobicContact CD1-CG 4.22Å; Y1862-F1945 AromaticContact CD1-CZ 3.75Å; Y1862-F1945 HydrophobicContact CD1-CZ 3.75Å; Y1862-F1945 AromaticContact CD2-CE1 3.91Å; Y1862-F1945 HydrophobicContact CD2-CE1 3.91Å; Y1862-F1945 HydrophobicContact CD2-CE2 4.35Å; Y1862-F1945 AromaticContact CD2-CZ 3.65Å; Y1862-F1945 HydrophobicContact CD2-CZ 3.65Å; Y1862-F1945 HydrophobicContact CE1-CB 4.4Å; Y1862-F1945 AromaticContact CE1-CD1 3.27Å; Y1862-F1945 HydrophobicContact CE1-CD1 3.27Å; Y1862-F1945 AromaticContact CE1-CD2 3.89Å; Y1862-F1945 HydrophobicContact CE1-CD2 3.89Å; Y1862-F1945 AromaticContact CE1-CE1 3.33Å; Y1862-F1945 HydrophobicContact CE1-CE1 3.33Å; Y1862-F1945 AromaticContact CE1-CE2 3.91Å; Y1862-F1945 HydrophobicContact CE1-CE2 3.91Å; Y1862-F1945 AromaticContact CE1-CG 3.59Å; Y1862-F1945 HydrophobicContact CE1-CG 3.59Å; Y1862-F1945 AromaticContact CE1-CZ 3.66Å; Y1862-F1945 HydrophobicContact CE1-CZ 3.66Å; Y1862-F1945 HydrophobicContact CE2-CD2 4.49Å; Y1862-F1945 HydrophobicContact CE2-CE1 4.08Å; Y1862-F1945 AromaticContact CE2-CE2 3.82Å; Y1862-F1945 HydrophobicContact CE2-CE2 3.82Å; Y1862-F1945 AromaticContact CE2-CZ 3.59Å; Y1862-F1945 HydrophobicContact CE2-CZ 3.59Å; Y1862-F1945 HydrophobicContact CG-CD1 4.21Å; Y1862-F1945 AromaticContact CG-CE1 3.46Å; Y1862-F1945 HydrophobicContact CG-CE1 3.46Å; Y1862-F1945 VanDerWaalsContact CG-CE1 3.46Å; Y1862-F1945 AromaticContact CG-CZ 3.73Å; Y1862-F1945 HydrophobicContact CG-CZ 3.73Å; Y1862-F1945 AromaticContact CZ-CD1 3.97Å; Y1862-F1945 AromaticContact CZ-CD2 3.77Å; Y1862-F1945 AromaticContact CZ-CE1 3.8Å; Y1862-F1945 AromaticContact CZ-CE2 3.55Å; Y1862-F1945 AromaticContact CZ-CG 3.98Å; Y1862-F1945 AromaticContact CZ-CZ 3.58Å; P1889-F1945 HydrophobicContact CB-CE2 4Å; P1889-F1945 HydrophobicContact CB-CZ 3.97Å; P1889-F1945 HydrophobicContact CG-CE2 4.01Å; P1889-F1945 HydrophobicContact CG-CZ 4.4Å; L1914-F1945 HydrophobicContact CB-CE2 3.78Å; L1914-F1945 HydrophobicContact CB-CZ 4.33Å; L1914-F1945 HydrophobicContact CD1-CZ 4.43Å; N1943-F1945 VanDerWaalsContact C-N 3.29Å; N1943-F1945 PolarHBondContact O-N 3.04Å; N1943-F1945 WeakPolarHBondContact OD1-CB 3.37Å; N1943-F1945 WeakPolarHBondContact OD1-CD2 3.36Å; N1943-F1945 PolarHBondContact OD1-N 3.4Å; F1945-R1948 PolarHBondContact O-NE 3.15Å; F1945-L1976 HydrophobicContact CB-CD2 4.35Å; F1945-L1976 HydrophobicContact CD1-CD2 3.18Å; F1945-L1976 HydrophobicContact CE1-CD2 3.49Å; F1945-L1976 VanDerWaalsContact CE1-CD2 3.49Å; F1945-L1976 HydrophobicContact CG-CD2 3.88Å; F1945-L1976 HydrophobicContact CZ-CD2 4.42Å |
| 1946 | E | 79.8 | Confident | 80.2 | Confident | 150 Ų | 150 | 65 Ų | 65 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -54.7 | 171.5 | -63.2 | 177.8 | -178.2 | 0 | 0 | 111.1 | N1943 L1944 R1948 | N1943-E1946 HydrophobicContact CB-CB 4.34Å; N1943-E1946 HydrophobicContact CB-CG 4.17Å; N1943-E1946 PolarHBondContact O-N 3.35Å; L1944-E1946 PolarHBondContact O-N 2.96Å; E1946-R1948 VanDerWaalsContact C-N 3.27Å; E1946-R1948 PolarHBondContact O-N 2.99Å |
| 1947 | C | 81.6 | Confident | 82.3 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -85.3 | 68.6 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 109.2 | V1942 N1943 L1944 R1949 L1950 | V1942-C1947 HydrophobicContact CG1-CB 3.85Å; N1943-C1947 WeakPolarHBondContact O-CB 3.08Å; N1943-C1947 PolarHBondContact O-N 2.81Å; L1944-C1947 CarbonylContact O-C 3.47Å; C1947-R1949 CarbonylContact O-C 3.56Å; C1947-R1949 PolarHBondContact O-N 3.4Å; C1947-L1950 HydrophobicContact CB-CG 4.47Å |
| 1948 | R | 84.6 | Confident | 84.1 | Confident | 90 Ų | 90 | 56 Ų | 56 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | trans | -43.6 | -14 | -174.4 | -66.1 | -66 | -171.9 | 116.2 | 0.9 | 116.8 | L1944 F1945 E1946 E1975 L1976 E1981 | L1944-R1948 WeakPolarHBondContact O-CA 3.43Å; L1944-R1948 PolarHBondContact O-N 2.88Å; F1945-R1948 PolarHBondContact O-NE 3.15Å; E1946-R1948 VanDerWaalsContact C-N 3.27Å; E1946-R1948 PolarHBondContact O-N 2.99Å; R1948-E1975 CarbonylContact O-C 3.37Å; R1948-E1975 WeakPolarHBondContact O-CA 3.28Å; R1948-L1976 PolarHBondContact O-N 2.9Å; R1948-E1981 IonicContact NH1-OE2 2.86Å; R1948-E1981 PolarHBondContact NH1-OE2 3.08Å | ||
| 1949 | R | 89.7 | Confident | 85 | Confident | 145 Ų | 145 | 53.2 Ų | 53.2 | 55% | 0.547 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 131.6 | 175.6 | -168.4 | 172.1 | 177.8 | 174 | 0.9 | 111.4 | C1947 E1973 M1974 E1975 | C1947-R1949 CarbonylContact O-C 3.56Å; C1947-R1949 PolarHBondContact O-N 3.4Å; R1949-E1973 IonicContact CZ-OE1 3.33Å; R1949-E1973 IonicContact NE-OE1 3.39Å; R1949-E1973 PolarHBondContact NE-OE1 3.07Å; R1949-E1973 IonicContact NH2-OE1 2.9Å; R1949-E1973 PolarHBondContact NH2-OE1 2.81Å; R1949-M1974 CarbonylContact C-O 3.52Å; R1949-M1974 VanDerWaalsContact CA-O 3.24Å; R1949-M1974 WeakPolarHBondContact CA-O 3.09Å; R1949-E1975 HydrophobicContact CG-CB 4.46Å |
| 1950 | L | 91 | Very high | 85.4 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136 | 177.3 | -79.8 | 169 | 0 | 0 | 0 | 110.6 | M1917 P1920 V1942 L1944 C1947 W1954 E1973 M1974 | M1917-L1950 HydrophobicContact CE-CD1 4.48Å; M1917-L1950 HydrophobicContact SD-CD1 4.19Å; P1920-L1950 HydrophobicContact CG-CD2 4.12Å; V1942-L1950 HydrophobicContact CB-CD1 4.34Å; V1942-L1950 HydrophobicContact CG1-CD1 3.84Å; V1942-L1950 HydrophobicContact CG1-CD2 4.16Å; L1944-L1950 HydrophobicContact CD1-CB 4.12Å; L1944-L1950 HydrophobicContact CD1-CD1 3.74Å; L1944-L1950 HydrophobicContact CD1-CG 4.04Å; C1947-L1950 HydrophobicContact CB-CG 4.47Å; L1950-W1954 HydrophobicContact CB-CH2 4.41Å; L1950-E1973 CarbonylContact O-C 3.6Å; L1950-E1973 WeakPolarHBondContact O-CA 3.04Å; L1950-M1974 HydrophobicContact CB-CE 4.22Å; L1950-M1974 PolarHBondContact N-O 3.02Å; L1950-M1974 PolarHBondContact O-N 2.99Å |
| 1951 | N | 91.1 | Very high | 85.1 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.1 | 175.8 | 68.2 | -13.2 | 0 | 0 | 0 | 112 | P1920 K1922 E1973 | P1920-N1951 WeakPolarHBondContact CG-O 3.43Å; K1922-N1951 PolarHBondContact NZ-O 2.81Å; K1922-N1951 PolarHBondContact NZ-OD1 3.22Å; N1951-E1973 HydrophobicContact CB-CB 4.31Å; N1951-E1973 HydrophobicContact CB-CG 4.24Å |
| 1952 | G | 93.2 | Very high | 84.4 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148 | -151.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1921 W1954 M1972 | S1921-G1952 CarbonylContact O-C 3.4Å; S1921-G1952 WeakPolarHBondContact O-CA 3.49Å; G1952-W1954 WeakPolarHBondContact O-CZ3 3.4Å; G1952-M1972 PolarHBondContact N-O 3.36Å; G1952-M1972 VanDerWaalsContact N-O 3.15Å; G1952-M1972 PolarHBondContact O-N 2.92Å |
| 1953 | F | 93.8 | Very high | 84.1 | Confident | 20 Ų | 20 | 57 Ų | 57 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.6 | -170.4 | -59.1 | -96.2 | 0 | 0 | 0 | 112.1 | F1807 S1921 R1924 C1927 I1970 E1971 | F1807-F1953 HydrophobicContact CD2-CD1 4.24Å; F1807-F1953 AromaticContact CD2-CE1 3.71Å; F1807-F1953 HydrophobicContact CD2-CE1 3.71Å; F1807-F1953 AromaticContact CE2-CE1 3.62Å; F1807-F1953 HydrophobicContact CE2-CE1 3.62Å; F1807-F1953 HydrophobicContact CE2-CZ 4.43Å; S1921-F1953 PolarHBondContact N-O 2.71Å; S1921-F1953 WeakPolarHBondContact O-CD2 3.32Å; S1921-F1953 PolarHBondContact O-N 3.35Å; R1924-F1953 HydrophobicContact CB-CD1 4.24Å; R1924-F1953 HydrophobicContact CB-CE1 4.02Å; R1924-F1953 HydrophobicContact CB-CZ 4.31Å; C1927-F1953 HydrophobicContact CB-CB 3.84Å; F1953-I1970 VanDerWaalsContact CA-O 3.23Å; F1953-I1970 WeakPolarHBondContact CA-O 3.34Å; F1953-E1971 HydrophobicContact CD1-CB 3.88Å; F1953-E1971 HydrophobicContact CD1-CG 4.33Å; F1953-E1971 HydrophobicContact CE1-CB 3.6Å; F1953-E1971 HydrophobicContact CE1-CG 3.82Å; F1953-E1971 HydrophobicContact CE2-CG 4.48Å; F1953-E1971 HydrophobicContact CZ-CB 4.19Å; F1953-E1971 HydrophobicContact CZ-CG 3.88Å |
| 1954 | W | 94.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.1 | 170.2 | -71.5 | -94.4 | 0 | 0 | 0 | 111.4 | L1910 L1912 M1917 P1918 P1920 L1950 G1952 K1969 I1970 M1972 M1974 | L1910-W1954 HydrophobicContact CD1-CB 4.35Å; L1910-W1954 HydrophobicContact CD2-CB 3.51Å; L1910-W1954 HydrophobicContact CD2-CG 4.26Å; L1912-W1954 HydrophobicContact CD1-CG 4.44Å; M1917-W1954 HydrophobicContact CE-CZ2 3.6Å; P1918-W1954 PolarHBondContact O-NE1 2.83Å; P1918-W1954 VanDerWaalsContact O-NE1 3.08Å; P1920-W1954 HydrophobicContact CB-CD2 4.14Å; P1920-W1954 HydrophobicContact CB-CE3 4.15Å; P1920-W1954 HydrophobicContact CB-CH2 3.39Å; P1920-W1954 HydrophobicContact CB-CZ2 3.32Å; P1920-W1954 HydrophobicContact CB-CZ3 3.79Å; P1920-W1954 HydrophobicContact CG-CH2 3.54Å; P1920-W1954 HydrophobicContact CG-CZ2 3.44Å; P1920-W1954 VanDerWaalsContact CG-CZ2 3.44Å; P1920-W1954 HydrophobicContact CG-CZ3 4.39Å; L1950-W1954 HydrophobicContact CB-CH2 4.41Å; G1952-W1954 WeakPolarHBondContact O-CZ3 3.4Å; W1954-K1969 CarbonylContact O-C 3.44Å; W1954-K1969 WeakPolarHBondContact O-CA 3.27Å; W1954-I1970 HydrophobicContact CB-CG2 4.06Å; W1954-I1970 PolarHBondContact N-O 3.32Å; W1954-I1970 PolarHBondContact O-N 2.9Å; W1954-M1972 HydrophobicContact CB-CE 4.5Å; W1954-M1972 HydrophobicContact CD2-CE 3.6Å; W1954-M1972 HydrophobicContact CE3-CE 3.33Å; W1954-M1972 HydrophobicContact CE3-CG 3.56Å; W1954-M1972 HydrophobicContact CE3-SD 4.19Å; W1954-M1972 HydrophobicContact CG-CE 4.14Å; W1954-M1972 HydrophobicContact CH2-CE 4.21Å; W1954-M1972 HydrophobicContact CH2-CG 4.5Å; W1954-M1972 HydrophobicContact CZ2-CE 4.45Å; W1954-M1972 HydrophobicContact CZ3-CE 3.67Å; W1954-M1972 HydrophobicContact CZ3-CG 3.44Å; W1954-M1972 VanDerWaalsContact CZ3-CG 3.44Å; W1954-M1972 HydrophobicContact CZ3-SD 4.4Å; W1954-M1974 HydrophobicContact CH2-CE 3.14Å; W1954-M1974 HydrophobicContact CZ2-CE 3.39Å; W1954-M1974 HydrophobicContact CZ3-CE 3.9Å |
| 1955 | P | 93.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 140.2 | 178.6 | 32.6 | -33.5 | 0 | 0 | 0 | 111.7 | C1927 M1931 L1932 L1966 | C1927-P1955 VanDerWaalsContact SG-N 3.39Å; M1931-P1955 HydrophobicContact CB-CG 4.36Å; L1932-P1955 HydrophobicContact CD1-CG 3.77Å; L1932-P1955 HydrophobicContact CG-CG 3.95Å; P1955-L1966 HydrophobicContact CB-CD1 3.36Å |
| 1956 | F | 93.4 | Very high | 84 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 145.7 | 162.3 | -78.6 | -62.6 | 0 | 0 | 0 | 110.3 | T1806 V1826 L1893 V1895 L1910 T1967 G1968 I1970 | T1806-F1956 HydrophobicContact CG2-CE2 4.26Å; V1826-F1956 HydrophobicContact CG1-CZ 4.29Å; L1893-F1956 HydrophobicContact CB-CE1 3.95Å; L1893-F1956 HydrophobicContact CB-CZ 4.3Å; V1895-F1956 HydrophobicContact CB-CD2 3.89Å; V1895-F1956 HydrophobicContact CB-CE1 4.46Å; V1895-F1956 HydrophobicContact CB-CE2 3.67Å; V1895-F1956 HydrophobicContact CB-CG 4.36Å; V1895-F1956 HydrophobicContact CB-CZ 3.99Å; V1895-F1956 HydrophobicContact CG1-CB 4Å; V1895-F1956 HydrophobicContact CG1-CD1 4.03Å; V1895-F1956 HydrophobicContact CG1-CD2 3.46Å; V1895-F1956 VanDerWaalsContact CG1-CD2 3.46Å; V1895-F1956 HydrophobicContact CG1-CE1 4.36Å; V1895-F1956 HydrophobicContact CG1-CE2 3.8Å; V1895-F1956 HydrophobicContact CG1-CG 3.58Å; V1895-F1956 HydrophobicContact CG1-CZ 4.24Å; V1895-F1956 HydrophobicContact CG2-CE2 4.49Å; L1910-F1956 HydrophobicContact CB-CD1 3.62Å; L1910-F1956 HydrophobicContact CB-CE1 3.71Å; F1956-T1967 PolarHBondContact O-N 2.9Å; F1956-T1967 VanDerWaalsContact O-N 3.1Å; F1956-G1968 PolarHBondContact N-O 2.61Å; F1956-I1970 HydrophobicContact CD2-CB 4.31Å; F1956-I1970 HydrophobicContact CE2-CB 3.64Å; F1956-I1970 HydrophobicContact CE2-CD1 4.12Å; F1956-I1970 HydrophobicContact CE2-CG1 4.33Å; F1956-I1970 HydrophobicContact CE2-CG2 4.21Å; F1956-I1970 HydrophobicContact CZ-CB 4.09Å; F1956-I1970 HydrophobicContact CZ-CD1 3.88Å; F1956-I1970 HydrophobicContact CZ-CG2 4.32Å |
| 1957 | V | 89.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 142.5 | -178.1 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | G1908 T1909 L1929 L1932 E1959 P1964 L1965 | G1908-V1957 CarbonylContact C-O 3.49Å; G1908-V1957 WeakPolarHBondContact CA-O 3.18Å; T1909-V1957 PolarHBondContact N-O 2.7Å; T1909-V1957 PolarHBondContact O-N 2.69Å; L1929-V1957 HydrophobicContact CD1-CB 4.33Å; L1929-V1957 HydrophobicContact CD1-CG1 4.05Å; L1929-V1957 HydrophobicContact CD1-CG2 3.47Å; L1929-V1957 VanDerWaalsContact CD1-CG2 3.47Å; L1932-V1957 HydrophobicContact CD1-CG2 3.37Å; V1957-E1959 HydrophobicContact CG1-CG 4.1Å; V1957-P1964 HydrophobicContact CG1-CB 3.45Å; V1957-P1964 VanDerWaalsContact CG1-CB 3.45Å; V1957-L1965 VanDerWaalsContact CA-O 3.28Å; V1957-L1965 WeakPolarHBondContact CA-O 3.23Å |
| 1958 | N | 85.7 | Confident | 85 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.9 | 165.1 | -170.4 | -17 | 0 | 0 | 0 | 109.2 | F1906 I1907 E1960 L1965 T1967 | F1906-N1958 HydrophobicContact CE1-CB 4.38Å; I1907-N1958 WeakPolarHBondContact O-CB 3.35Å; N1958-E1960 WeakPolarHBondContact OD1-CB 3.45Å; N1958-E1960 WeakPolarHBondContact OD1-CG 3.24Å; N1958-E1960 PolarHBondContact OD1-N 2.78Å; N1958-L1965 PolarHBondContact N-O 3.02Å; N1958-L1965 PolarHBondContact O-N 2.91Å; N1958-T1967 HydrophobicContact CB-CG2 3.54Å |
| 1959 | E | 77 | Confident | 85.4 | Confident | 133 Ų | 133 | 51 Ų | 51 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | trans | -111.4 | 8 | -178.6 | -67.2 | -166.8 | 166.6 | 0 | 0 | 113.7 | V1957 S1961 G1962 P1964 | V1957-E1959 HydrophobicContact CG1-CG 4.1Å; E1959-S1961 PolarHBondContact O-N 2.77Å; E1959-S1961 VanDerWaalsContact O-N 3.08Å; E1959-G1962 PolarHBondContact O-N 2.76Å; E1959-P1964 HydrophobicContact CG-CB 3.95Å | ||
| 1960 | E | 69.6 | Low | 85.7 | Confident | 160 Ų | 160 | 44 Ų | 44 | 75% | 0.748 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.7 | -176.2 | -80 | -176.8 | 162 | 0 | 0 | 114.3 | N1958 G1962 | N1958-E1960 WeakPolarHBondContact OD1-CB 3.45Å; N1958-E1960 WeakPolarHBondContact OD1-CG 3.24Å; N1958-E1960 PolarHBondContact OD1-N 2.78Å; E1960-G1962 VanDerWaalsContact C-N 3.32Å; E1960-G1962 PolarHBondContact O-N 3.04Å |
| 1961 | S | 64.7 | Low | 85.9 | Confident | 78 Ų | 78 | 45.7 Ų | 45.7 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 9.6 | 176.5 | 55 | 0 | 0 | 0 | 0 | 114.5 | E1959 T1963 L1965 | E1959-S1961 PolarHBondContact O-N 2.77Å; E1959-S1961 VanDerWaalsContact O-N 3.08Å; S1961-T1963 PolarHBondContact O-N 3.37Å; S1961-L1965 WeakPolarHBondContact OG-CD1 3.41Å |
| 1962 | G | 66.6 | Low | 86.1 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 74.2 | -1.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1959 E1960 | E1959-G1962 PolarHBondContact O-N 2.76Å; E1960-G1962 VanDerWaalsContact C-N 3.32Å; E1960-G1962 PolarHBondContact O-N 3.04Å |
| 1963 | T | 75 | Confident | 86.1 | Confident | 86 Ų | 86 | 42.3 Ų | 42.3 | 53% | 0.528 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -125.7 | 126 | 172.4 | 39.7 | 0 | 0 | 0 | 0 | 108.9 | S1961 L1965 | S1961-T1963 PolarHBondContact O-N 3.37Å; T1963-L1965 PolarHBondContact O-N 2.97Å |
| 1964 | P | 78.3 | Confident | 86.1 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | trans | -66.8 | 116.7 | -178.2 | 24.1 | -33.2 | 0 | 0 | 0 | 110.7 | L1929 V1957 E1959 | L1929-P1964 HydrophobicContact CD2-CB 4.07Å; L1929-P1964 HydrophobicContact CD2-CG 4.11Å; L1929-P1964 VanDerWaalsContact CD2-O 3.23Å; L1929-P1964 WeakPolarHBondContact CD2-O 3.11Å; V1957-P1964 HydrophobicContact CG1-CB 3.45Å; V1957-P1964 VanDerWaalsContact CG1-CB 3.45Å; E1959-P1964 HydrophobicContact CG-CB 3.95Å | ||
| 1965 | L | 84.1 | Confident | 86.1 | Confident | 93 Ų | 93 | 42.4 Ų | 42.4 | 49% | 0.487 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.2 | 179.4 | -76.1 | 152.6 | 0 | 0 | 0 | 109.8 | V1957 N1958 S1961 T1963 T1967 | V1957-L1965 VanDerWaalsContact CA-O 3.28Å; V1957-L1965 WeakPolarHBondContact CA-O 3.23Å; N1958-L1965 PolarHBondContact N-O 3.02Å; N1958-L1965 PolarHBondContact O-N 2.91Å; S1961-L1965 WeakPolarHBondContact OG-CD1 3.41Å; T1963-L1965 PolarHBondContact O-N 2.97Å; L1965-T1967 HydrophobicContact CB-CG2 4.32Å; L1965-T1967 PolarHBondContact O-N 3.27Å |
| 1966 | L | 88.6 | Confident | 86 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 37% | 0.366 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 106.7 | 171.8 | 176.3 | 69.3 | 0 | 0 | 0 | 108.3 | L1929 P1955 G1968 K1969 | L1929-L1966 HydrophobicContact CD1-CB 4.06Å; P1955-L1966 HydrophobicContact CB-CD1 3.36Å; L1966-G1968 WeakPolarHBondContact CD1-O 3.34Å; L1966-K1969 HydrophobicContact CD1-CG 4.47Å |
| 1967 | T | 90.1 | Very high | 85.9 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -4.1 | -175.3 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | V1809 V1810 I1907 G1908 F1956 N1958 L1965 | V1809-T1967 WeakPolarHBondContact CA-O 3.38Å; V1810-T1967 HydrophobicContact CG2-CG2 4.36Å; V1810-T1967 PolarHBondContact N-O 2.98Å; I1907-T1967 WeakPolarHBondContact O-CB 3.02Å; I1907-T1967 VanDerWaalsContact O-CG2 3.28Å; I1907-T1967 WeakPolarHBondContact O-CG2 3.3Å; I1907-T1967 PolarHBondContact O-OG1 2.85Å; G1908-T1967 WeakPolarHBondContact CA-OG1 3.15Å; F1956-T1967 PolarHBondContact O-N 2.9Å; F1956-T1967 VanDerWaalsContact O-N 3.1Å; N1958-T1967 HydrophobicContact CB-CG2 3.54Å; L1965-T1967 HydrophobicContact CB-CG2 4.32Å; L1965-T1967 PolarHBondContact O-N 3.27Å |
| 1968 | G | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.6 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F1807 D1808 F1956 L1966 | F1807-G1968 CarbonylContact O-C 3.2Å; D1808-G1968 WeakPolarHBondContact O-CA 3.29Å; F1956-G1968 PolarHBondContact N-O 2.61Å; L1966-G1968 WeakPolarHBondContact CD1-O 3.34Å |
| 1969 | K | 94.2 | Very high | 85.9 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.4 | 174.5 | -59.5 | 169.3 | -173.2 | 170 | 0 | 108.8 | T1806 F1807 D1808 R1924 C1927 W1954 L1966 | T1806-K1969 CarbonylContact C-O 3.54Å; T1806-K1969 WeakPolarHBondContact CA-O 3.21Å; F1807-K1969 HydrophobicContact CB-CB 4.45Å; F1807-K1969 PolarHBondContact N-O 3.14Å; F1807-K1969 PolarHBondContact O-N 3.13Å; D1808-K1969 HydrophobicContact CB-CD 4.43Å; D1808-K1969 WeakPolarHBondContact OD2-CD 3.27Å; D1808-K1969 VanDerWaalsContact OD2-CE 3.26Å; D1808-K1969 WeakPolarHBondContact OD2-CE 3.47Å; D1808-K1969 IonicContact OD2-NZ 2.67Å; D1808-K1969 PolarHBondContact OD2-NZ 2.8Å; R1924-K1969 HydrophobicContact CG-CD 4.16Å; R1924-K1969 PolarHBondContact O-NZ 2.86Å; C1927-K1969 HydrophobicContact CB-CD 3.98Å; C1927-K1969 HydrophobicContact CB-CG 4.41Å; C1927-K1969 WeakPolarHBondContact O-CE 3.39Å; C1927-K1969 PolarHBondContact O-NZ 2.9Å; W1954-K1969 CarbonylContact O-C 3.44Å; W1954-K1969 WeakPolarHBondContact O-CA 3.27Å; L1966-K1969 HydrophobicContact CD1-CG 4.47Å |
| 1970 | I | 95.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.7 | 176 | -168.5 | 167.1 | 0 | 0 | 0 | 110.2 | V1803 T1806 V1826 L1893 L1910 F1953 W1954 F1956 M1972 | V1803-I1970 HydrophobicContact CG1-CD1 3.94Å; V1803-I1970 HydrophobicContact CG1-CG1 4.22Å; V1803-I1970 HydrophobicContact CG2-CD1 4.18Å; T1806-I1970 HydrophobicContact CG2-CB 4.41Å; T1806-I1970 HydrophobicContact CG2-CG1 4.22Å; V1826-I1970 HydrophobicContact CG1-CD1 4.04Å; V1826-I1970 HydrophobicContact CG2-CD1 4.37Å; L1893-I1970 HydrophobicContact CD1-CD1 4.29Å; L1910-I1970 HydrophobicContact CD2-CG2 3.83Å; F1953-I1970 VanDerWaalsContact CA-O 3.23Å; F1953-I1970 WeakPolarHBondContact CA-O 3.34Å; W1954-I1970 HydrophobicContact CB-CG2 4.06Å; W1954-I1970 PolarHBondContact N-O 3.32Å; W1954-I1970 PolarHBondContact O-N 2.9Å; F1956-I1970 HydrophobicContact CD2-CB 4.31Å; F1956-I1970 HydrophobicContact CE2-CB 3.64Å; F1956-I1970 HydrophobicContact CE2-CD1 4.12Å; F1956-I1970 HydrophobicContact CE2-CG1 4.33Å; F1956-I1970 HydrophobicContact CE2-CG2 4.21Å; F1956-I1970 HydrophobicContact CZ-CB 4.09Å; F1956-I1970 HydrophobicContact CZ-CD1 3.88Å; F1956-I1970 HydrophobicContact CZ-CG2 4.32Å; I1970-M1972 HydrophobicContact CD1-CB 4.5Å; I1970-M1972 HydrophobicContact CD1-SD 4.17Å; I1970-M1972 HydrophobicContact CG1-CB 4.26Å; I1970-M1972 HydrophobicContact CG1-SD 4.47Å; I1970-M1972 HydrophobicContact CG2-CG 4.42Å; I1970-M1972 HydrophobicContact CG2-SD 4Å |
| 1971 | E | 95.9 | Very high | 87.1 | Confident | 53 Ų | 53 | 39.1 Ų | 39.1 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 112.2 | 164.8 | -174.4 | 179.7 | -152.9 | 0 | 0 | 108.2 | W1804 N1805 F1807 F1953 | W1804-E1971 HydrophobicContact CB-CB 4.41Å; W1804-E1971 HydrophobicContact CB-CG 4.11Å; W1804-E1971 PolarHBondContact N-O 3.1Å; N1805-E1971 HydrophobicContact CB-CB 4.34Å; N1805-E1971 PolarHBondContact N-O 2.86Å; N1805-E1971 PolarHBondContact ND2-OE2 3.48Å; N1805-E1971 PolarHBondContact O-N 3.3Å; F1807-E1971 HydrophobicContact CD2-CB 4.49Å; F1807-E1971 HydrophobicContact CE2-CB 4.04Å; F1953-E1971 HydrophobicContact CD1-CB 3.88Å; F1953-E1971 HydrophobicContact CD1-CG 4.33Å; F1953-E1971 HydrophobicContact CE1-CB 3.6Å; F1953-E1971 HydrophobicContact CE1-CG 3.82Å; F1953-E1971 HydrophobicContact CE2-CG 4.48Å; F1953-E1971 HydrophobicContact CZ-CB 4.19Å; F1953-E1971 HydrophobicContact CZ-CG 3.88Å |
| 1972 | M | 94.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 159.6 | -178.7 | 66.4 | -174.3 | -171.9 | 0 | 0 | 112.5 | L1801 V1802 L1893 L1910 L1912 G1952 W1954 I1970 M1974 | L1801-M1972 HydrophobicContact CD1-CB 4.01Å; L1801-M1972 HydrophobicContact CD1-CG 4.04Å; L1801-M1972 HydrophobicContact CD1-SD 3.67Å; L1801-M1972 HydrophobicContact CD2-SD 4.38Å; V1802-M1972 CarbonylContact O-C 3.21Å; V1802-M1972 WeakPolarHBondContact O-CA 3.33Å; V1802-M1972 WeakPolarHBondContact O-CB 3.2Å; L1893-M1972 HydrophobicContact CD1-CE 3.88Å; L1893-M1972 HydrophobicContact CD1-SD 3.34Å; L1893-M1972 WeakPolarHBondContact CD1-SD 3.44Å; L1910-M1972 HydrophobicContact CD2-CE 4.16Å; L1912-M1972 HydrophobicContact CD1-CE 3.52Å; G1952-M1972 PolarHBondContact N-O 3.36Å; G1952-M1972 VanDerWaalsContact N-O 3.15Å; G1952-M1972 PolarHBondContact O-N 2.92Å; W1954-M1972 HydrophobicContact CB-CE 4.5Å; W1954-M1972 HydrophobicContact CD2-CE 3.6Å; W1954-M1972 HydrophobicContact CE3-CE 3.33Å; W1954-M1972 HydrophobicContact CE3-CG 3.56Å; W1954-M1972 HydrophobicContact CE3-SD 4.19Å; W1954-M1972 HydrophobicContact CG-CE 4.14Å; W1954-M1972 HydrophobicContact CH2-CE 4.21Å; W1954-M1972 HydrophobicContact CH2-CG 4.5Å; W1954-M1972 HydrophobicContact CZ2-CE 4.45Å; W1954-M1972 HydrophobicContact CZ3-CE 3.67Å; W1954-M1972 HydrophobicContact CZ3-CG 3.44Å; W1954-M1972 VanDerWaalsContact CZ3-CG 3.44Å; W1954-M1972 HydrophobicContact CZ3-SD 4.4Å; I1970-M1972 HydrophobicContact CD1-CB 4.5Å; I1970-M1972 HydrophobicContact CD1-SD 4.17Å; I1970-M1972 HydrophobicContact CG1-CB 4.26Å; I1970-M1972 HydrophobicContact CG1-SD 4.47Å; I1970-M1972 HydrophobicContact CG2-CG 4.42Å; I1970-M1972 HydrophobicContact CG2-SD 4Å; M1972-M1974 HydrophobicContact CE-CE 3.9Å; M1972-M1974 HydrophobicContact CE-SD 4.15Å |
| 1973 | E | 93.9 | Very high | 89 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.7 | 174.8 | 177.4 | 171.5 | -161.3 | 0 | 0 | 109.4 | L1801 V1802 W1804 R1949 L1950 N1951 | L1801-E1973 CarbonylContact C-O 3.17Å; L1801-E1973 WeakPolarHBondContact CA-O 3.27Å; V1802-E1973 HydrophobicContact CB-CB 4.36Å; V1802-E1973 PolarHBondContact N-O 2.85Å; V1802-E1973 PolarHBondContact O-N 3.2Å; W1804-E1973 PolarHBondContact NE1-OE2 3.22Å; R1949-E1973 IonicContact CZ-OE1 3.33Å; R1949-E1973 IonicContact NE-OE1 3.39Å; R1949-E1973 PolarHBondContact NE-OE1 3.07Å; R1949-E1973 IonicContact NH2-OE1 2.9Å; R1949-E1973 PolarHBondContact NH2-OE1 2.81Å; L1950-E1973 CarbonylContact O-C 3.6Å; L1950-E1973 WeakPolarHBondContact O-CA 3.04Å; N1951-E1973 HydrophobicContact CB-CB 4.31Å; N1951-E1973 HydrophobicContact CB-CG 4.24Å |
| 1974 | M | 93.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.4 | 174.2 | -73.2 | 170.3 | -68.2 | 0 | 0 | 109.2 | L1799 R1800 L1801 L1891 M1917 L1944 R1949 L1950 W1954 M1972 | L1799-M1974 HydrophobicContact CD1-CB 4.31Å; L1799-M1974 HydrophobicContact CD1-CG 4.43Å; R1800-M1974 CarbonylContact O-C 3.56Å; R1800-M1974 WeakPolarHBondContact O-CA 3.32Å; L1801-M1974 HydrophobicContact CD1-CB 4.39Å; L1801-M1974 HydrophobicContact CD1-CG 3.2Å; L1801-M1974 HydrophobicContact CD1-SD 4.2Å; L1891-M1974 HydrophobicContact CD2-SD 4.01Å; M1917-M1974 HydrophobicContact CE-CE 3.28Å; M1917-M1974 HydrophobicContact CE-SD 3.98Å; M1917-M1974 HydrophobicContact SD-CE 4.27Å; L1944-M1974 HydrophobicContact CD1-CB 3.94Å; L1944-M1974 HydrophobicContact CD2-CB 4.18Å; L1944-M1974 HydrophobicContact CD2-SD 4.42Å; R1949-M1974 CarbonylContact C-O 3.52Å; R1949-M1974 VanDerWaalsContact CA-O 3.24Å; R1949-M1974 WeakPolarHBondContact CA-O 3.09Å; L1950-M1974 HydrophobicContact CB-CE 4.22Å; L1950-M1974 PolarHBondContact N-O 3.02Å; L1950-M1974 PolarHBondContact O-N 2.99Å; W1954-M1974 HydrophobicContact CH2-CE 3.14Å; W1954-M1974 HydrophobicContact CZ2-CE 3.39Å; W1954-M1974 HydrophobicContact CZ3-CE 3.9Å; M1972-M1974 HydrophobicContact CE-CE 3.9Å; M1972-M1974 HydrophobicContact CE-SD 4.15Å |
| 1975 | E | 93.6 | Very high | 90 | Very high | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.3 | 167.5 | -172.6 | -173.1 | -163.8 | 0 | 0 | 108.6 | R1800 R1948 R1949 V1977 R1985 | R1800-E1975 HydrophobicContact CB-CB 4.39Å; R1800-E1975 PolarHBondContact N-O 3.03Å; R1800-E1975 PolarHBondContact O-N 2.98Å; R1948-E1975 CarbonylContact O-C 3.37Å; R1948-E1975 WeakPolarHBondContact O-CA 3.28Å; R1949-E1975 HydrophobicContact CG-CB 4.46Å; E1975-V1977 HydrophobicContact CG-CG1 4.03Å; E1975-R1985 IonicContact OE1-CZ 3.25Å; E1975-R1985 VanDerWaalsContact OE1-CZ 3.25Å; E1975-R1985 IonicContact OE1-NH1 2.74Å; E1975-R1985 PolarHBondContact OE1-NH1 2.95Å; E1975-R1985 IonicContact OE1-NH2 2.81Å; E1975-R1985 PolarHBondContact OE1-NH2 3.46Å; E1975-R1985 IonicContact OE2-NH1 3.68Å |
| 1976 | L | 91.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117.6 | 175.7 | -172.1 | 75.5 | 0 | 0 | 0 | 109.6 | Y1797 L1799 F1860 L1944 F1945 R1948 | Y1797-L1976 HydrophobicContact CD1-CD1 4.2Å; Y1797-L1976 HydrophobicContact CD1-CD2 3.84Å; Y1797-L1976 HydrophobicContact CD1-CG 3.8Å; Y1797-L1976 HydrophobicContact CE1-CD2 4.13Å; Y1797-L1976 HydrophobicContact CE1-CG 4.45Å; Y1797-L1976 HydrophobicContact CG-CD1 4.45Å; Y1797-L1976 HydrophobicContact CG-CD2 4.5Å; Y1797-L1976 HydrophobicContact CG-CG 4.5Å; L1799-L1976 HydrophobicContact CB-CD1 4.09Å; L1799-L1976 HydrophobicContact CD1-CD1 4.34Å; F1860-L1976 HydrophobicContact CE1-CD1 3.73Å; F1860-L1976 HydrophobicContact CZ-CD1 3.63Å; L1944-L1976 HydrophobicContact CD2-CB 4.26Å; L1944-L1976 HydrophobicContact CG-CB 4.21Å; F1945-L1976 HydrophobicContact CB-CD2 4.35Å; F1945-L1976 HydrophobicContact CD1-CD2 3.18Å; F1945-L1976 HydrophobicContact CE1-CD2 3.49Å; F1945-L1976 VanDerWaalsContact CE1-CD2 3.49Å; F1945-L1976 HydrophobicContact CG-CD2 3.88Å; F1945-L1976 HydrophobicContact CZ-CD2 4.42Å; R1948-L1976 PolarHBondContact O-N 2.9Å |
| 1977 | V | 91 | Very high | 90 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.4 | 178.7 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | Y1797 I1798 E1975 E1981 A1982 | Y1797-V1977 CarbonylContact C-O 3.45Å; Y1797-V1977 WeakPolarHBondContact CA-O 3.49Å; I1798-V1977 HydrophobicContact CB-CG2 3.98Å; I1798-V1977 HydrophobicContact CG2-CG2 4.44Å; I1798-V1977 PolarHBondContact N-O 2.63Å; I1798-V1977 WeakPolarHBondContact O-CG2 3.36Å; I1798-V1977 PolarHBondContact O-N 3.34Å; I1798-V1977 VanDerWaalsContact O-N 3.07Å; E1975-V1977 HydrophobicContact CG-CG1 4.03Å; V1977-E1981 HydrophobicContact CB-CB 4.06Å; V1977-A1982 HydrophobicContact CG2-CB 3.79Å |
| 1978 | T | 87.8 | Confident | 89.9 | Confident | 33 Ų | 33 | 39 Ų | 39 | 20% | 0.202 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 159.2 | 166.3 | 58.4 | 0 | 0 | 0 | 0 | 109.9 | Y1797 A1980 E1981 A1982 | Y1797-T1978 HydrophobicContact CD1-CG2 4.15Å; Y1797-T1978 HydrophobicContact CE1-CG2 3.64Å; T1978-A1980 VanDerWaalsContact C-N 3.29Å; T1978-A1980 PolarHBondContact O-N 2.62Å; T1978-E1981 PolarHBondContact N-OE2 3.3Å; T1978-E1981 PolarHBondContact O-N 2.87Å; T1978-E1981 VanDerWaalsContact O-N 3.13Å; T1978-E1981 WeakPolarHBondContact OG1-CB 3.41Å; T1978-E1981 WeakPolarHBondContact OG1-CG 3.28Å; T1978-E1981 PolarHBondContact OG1-N 2.8Å; T1978-E1981 PolarHBondContact OG1-OE2 3.44Å; T1978-A1982 WeakPolarHBondContact O-CB 3.41Å; T1978-A1982 PolarHBondContact O-N 2.63Å |
| 1979 | K | 86.7 | Confident | 89.9 | Confident | 84 Ų | 84 | 43.1 Ų | 43.1 | 37% | 0.365 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -53.8 | -44.7 | 174.4 | 177.5 | 162 | 175 | 179.9 | 0 | 113.1 | E1796 E1981 A1982 D1983 | E1796-K1979 HydrophobicContact CB-CB 3.74Å; E1796-K1979 HydrophobicContact CB-CD 3.88Å; E1796-K1979 VanDerWaalsContact CD-CD 3.41Å; E1796-K1979 HydrophobicContact CG-CD 4.25Å; E1796-K1979 PolarHBondContact O-N 2.97Å; E1796-K1979 IonicContact OE1-NZ 2.69Å; E1796-K1979 PolarHBondContact OE1-NZ 3.33Å; E1796-K1979 WeakPolarHBondContact OE2-CD 3.34Å; E1796-K1979 WeakPolarHBondContact OE2-CE 3.42Å; E1796-K1979 IonicContact OE2-NZ 3.46Å; E1796-K1979 PolarHBondContact OE2-NZ 3.12Å; K1979-E1981 VanDerWaalsContact C-N 3.35Å; K1979-E1981 PolarHBondContact O-N 3.36Å; K1979-A1982 WeakPolarHBondContact O-CA 3.33Å; K1979-A1982 WeakPolarHBondContact O-CB 3.41Å; K1979-A1982 PolarHBondContact O-N 3.4Å; K1979-D1983 VanDerWaalsContact O-CG 3.24Å; K1979-D1983 PolarHBondContact O-N 3.45Å |
| 1980 | A | 83.6 | Confident | 89.7 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1978 A1982 L1984 | T1978-A1980 VanDerWaalsContact C-N 3.29Å; T1978-A1980 PolarHBondContact O-N 2.62Å; A1980-A1982 VanDerWaalsContact C-N 3.32Å; A1980-L1984 WeakPolarHBondContact O-CG 3.39Å; A1980-L1984 PolarHBondContact O-N 3.32Å |
| 1981 | E | 88.2 | Confident | 89.4 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.2 | -33.2 | 173.8 | -72 | 165.6 | 150.5 | 0 | 0 | 112.2 | R1948 V1977 T1978 K1979 L1984 R1985 | R1948-E1981 IonicContact NH1-OE2 2.86Å; R1948-E1981 PolarHBondContact NH1-OE2 3.08Å; V1977-E1981 HydrophobicContact CB-CB 4.06Å; T1978-E1981 PolarHBondContact N-OE2 3.3Å; T1978-E1981 PolarHBondContact O-N 2.87Å; T1978-E1981 VanDerWaalsContact O-N 3.13Å; T1978-E1981 WeakPolarHBondContact OG1-CB 3.41Å; T1978-E1981 WeakPolarHBondContact OG1-CG 3.28Å; T1978-E1981 PolarHBondContact OG1-N 2.8Å; T1978-E1981 PolarHBondContact OG1-OE2 3.44Å; K1979-E1981 VanDerWaalsContact C-N 3.35Å; K1979-E1981 PolarHBondContact O-N 3.36Å; E1981-L1984 PolarHBondContact O-N 2.84Å; E1981-R1985 PolarHBondContact O-N 2.86Å |
| 1982 | A | 86 | Confident | 89.1 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.6 | -38.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1798 R1800 V1977 T1978 K1979 A1980 L1984 R1985 P1986 | I1798-A1982 HydrophobicContact CB-CB 4.46Å; I1798-A1982 HydrophobicContact CD1-CB 3.38Å; I1798-A1982 HydrophobicContact CG1-CB 4.42Å; R1800-A1982 VanDerWaalsContact NH2-CA 3.28Å; V1977-A1982 HydrophobicContact CG2-CB 3.79Å; T1978-A1982 WeakPolarHBondContact O-CB 3.41Å; T1978-A1982 PolarHBondContact O-N 2.63Å; K1979-A1982 WeakPolarHBondContact O-CA 3.33Å; K1979-A1982 WeakPolarHBondContact O-CB 3.41Å; K1979-A1982 PolarHBondContact O-N 3.4Å; A1980-A1982 VanDerWaalsContact C-N 3.32Å; A1982-L1984 VanDerWaalsContact C-N 3.26Å; A1982-L1984 PolarHBondContact O-N 3.07Å; A1982-R1985 CarbonylContact O-C 3.05Å; A1982-R1985 PolarHBondContact O-N 3.33Å; A1982-P1986 VanDerWaalsContact O-CA 3.3Å; A1982-P1986 WeakPolarHBondContact O-CA 3.47Å; A1982-P1986 VanDerWaalsContact O-N 3.07Å |
| 1983 | D | 84.5 | Confident | 88.5 | Confident | 117 Ų | 117 | 56.5 Ų | 56.5 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.7 | -34.9 | 174.1 | -65.6 | -25.6 | 0 | 0 | 0 | 111 | K1979 | K1979-D1983 VanDerWaalsContact O-CG 3.24Å; K1979-D1983 PolarHBondContact O-N 3.45Å |
| 1984 | L | 85.4 | Confident | 88.1 | Confident | 147 Ų | 147 | 58.2 Ų | 58.2 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -74.5 | -31.8 | 173.8 | -72.7 | 168.2 | 0 | 0 | 0 | 113.5 | A1980 E1981 A1982 P1986 | A1980-L1984 WeakPolarHBondContact O-CG 3.39Å; A1980-L1984 PolarHBondContact O-N 3.32Å; E1981-L1984 PolarHBondContact O-N 2.84Å; A1982-L1984 VanDerWaalsContact C-N 3.26Å; A1982-L1984 PolarHBondContact O-N 3.07Å; L1984-P1986 VanDerWaalsContact C-CD 3.49Å |
| 1985 | R | 90 | Very high | 87.9 | Confident | 83 Ų | 83 | 59 Ų | 59 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -124.3 | 66.7 | -179.6 | -64.4 | -170.2 | -64.9 | 134.6 | -6.5 | 110.2 | R1800 E1975 E1981 A1982 | R1800-R1985 PolarHBondContact NH1-O 3.35Å; R1800-R1985 PolarHBondContact NH2-O 3.41Å; E1975-R1985 IonicContact OE1-CZ 3.25Å; E1975-R1985 VanDerWaalsContact OE1-CZ 3.25Å; E1975-R1985 IonicContact OE1-NH1 2.74Å; E1975-R1985 PolarHBondContact OE1-NH1 2.95Å; E1975-R1985 IonicContact OE1-NH2 2.81Å; E1975-R1985 PolarHBondContact OE1-NH2 3.46Å; E1975-R1985 IonicContact OE2-NH1 3.68Å; E1981-R1985 PolarHBondContact O-N 2.86Å; A1982-R1985 CarbonylContact O-C 3.05Å; A1982-R1985 PolarHBondContact O-N 3.33Å |
| 1986 | P | 85.9 | Confident | 87.4 | Confident | 65 Ų | 65 | 64 Ų | 64 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | trans | -63.3 | 147.9 | -174.9 | 28.9 | -36.3 | 0 | 0 | 0 | 110.6 | A1982 L1984 P1994 N1997 | A1982-P1986 VanDerWaalsContact O-CA 3.3Å; A1982-P1986 WeakPolarHBondContact O-CA 3.47Å; A1982-P1986 VanDerWaalsContact O-N 3.07Å; L1984-P1986 VanDerWaalsContact C-CD 3.49Å; P1986-P1994 HydrophobicContact CB-CG 3.83Å; P1986-P1994 HydrophobicContact CG-CG 4.18Å; P1986-N1997 PolarHBondContact O-ND2 3.49Å | ||
| 1987 | A | 87.5 | Confident | 87 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | trans | -146.3 | 116.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | R1855 | R1855-A1987 VanDerWaalsContact NH1-CB 3.29Š| ||
| 1988 | G | 87.5 | Confident | 86.6 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 9% | 0.093 | 36% | 0.359 | C | S | . | . | trans | -67.3 | 160.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1855 P1994 | R1855-G1988 WeakPolarHBondContact CD-O 3.29Å; R1855-G1988 PolarHBondContact NH1-O 2.91Å; G1988-P1994 PolarHBondContact N-O 3.33Å | ||
| 1989 | K | 90.4 | Very high | 86.6 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -71 | 155.1 | 169.8 | -69.5 | -171.7 | 178.2 | -167.1 | 0 | 109.4 | D1835 V1857 R1991 E1992 | D1835-K1989 IonicContact OD1-NZ 2.69Å; D1835-K1989 PolarHBondContact OD1-NZ 2.64Å; D1835-K1989 IonicContact OD2-NZ 2.66Å; D1835-K1989 PolarHBondContact OD2-NZ 2.83Å; V1857-K1989 HydrophobicContact CB-CG 4.15Å; V1857-K1989 HydrophobicContact CG2-CG 4.19Å; K1989-R1991 PolarHBondContact O-N 3.25Å; K1989-R1991 VanDerWaalsContact O-N 3.11Å; K1989-E1992 WeakPolarHBondContact O-CB 3.41Å; K1989-E1992 PolarHBondContact O-N 2.83Å |
| 1990 | A | 90.3 | Very high | 86.8 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 7% | 0.066 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | 56.4 | -113.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | W1854 R1855 L2000 | W1854-A1990 HydrophobicContact CD2-CB 3.79Å; W1854-A1990 HydrophobicContact CE3-CB 4.12Å; W1854-A1990 HydrophobicContact CH2-CB 3.57Å; W1854-A1990 HydrophobicContact CZ2-CB 3.2Å; W1854-A1990 HydrophobicContact CZ3-CB 4.01Å; R1855-A1990 WeakPolarHBondContact CB-O 3.4Å; R1855-A1990 PolarHBondContact N-O 2.84Å; R1855-A1990 PolarHBondContact O-N 3Å; A1990-L2000 WeakPolarHBondContact O-CD1 3.24Å |
| 1991 | R | 89.8 | Confident | 86.9 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 17.6 | 174.5 | -69.5 | 167.7 | -78.1 | 173.5 | -16 | 110.8 | D1840 N1853 W1854 K1989 N1995 L2000 | D1840-R1991 VanDerWaalsContact CG-NH2 3.32Å; D1840-R1991 IonicContact OD1-NH2 2.64Å; D1840-R1991 IonicContact OD2-CZ 2.81Å; D1840-R1991 IonicContact OD2-NH2 3.06Å; D1840-R1991 PolarHBondContact OD2-NH2 2.91Å; N1853-R1991 WeakPolarHBondContact O-CG 3.31Å; W1854-R1991 VanDerWaalsContact CZ3-NH2 3.3Å; K1989-R1991 PolarHBondContact O-N 3.25Å; K1989-R1991 VanDerWaalsContact O-N 3.11Å; R1991-N1995 PolarHBondContact O-ND2 3.35Å; R1991-L2000 HydrophobicContact CG-CB 4Å |
| 1992 | E | 88.5 | Confident | 86.7 | Confident | 130 Ų | 130 | 71.7 Ų | 71.7 | 61% | 0.607 | 37% | 0.371 | S | S | * | . | trans | -78 | 159.5 | -178.2 | -61.6 | 180 | 167.7 | 0 | 0 | 111 | K1989 P1994 N1995 | K1989-E1992 WeakPolarHBondContact O-CB 3.41Å; K1989-E1992 PolarHBondContact O-N 2.83Å; E1992-P1994 CarbonylContact O-C 3.47Å; E1992-N1995 PolarHBondContact O-N 3.32Å | ||
| 1993 | D | 82.3 | Confident | 86.6 | Confident | 146 Ų | 146 | 72.5 Ų | 72.5 | 78% | 0.781 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -70.8 | 141.3 | 177.6 | -73.2 | -41.3 | 0 | 0 | 0 | 112.3 | N1995 | D1993-N1995 PolarHBondContact OD1-N 2.66Š|
| 1994 | P | 85.4 | Confident | 86.4 | Confident | 56 Ų | 56 | 75 Ų | 75 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | S | Bend | cis | -76.5 | 112.4 | -1.3 | 27 | -28.9 | 0 | 0 | 0 | 111.9 | P1986 G1988 E1992 E1996 | P1986-P1994 HydrophobicContact CB-CG 3.83Å; P1986-P1994 HydrophobicContact CG-CG 4.18Å; G1988-P1994 PolarHBondContact N-O 3.33Å; E1992-P1994 CarbonylContact O-C 3.47Å; P1994-E1996 PolarHBondContact O-N 3.39Å |
| 1995 | N | 88.8 | Confident | 86.2 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | trans | -85.3 | 62.2 | 179.3 | -173.3 | 7.3 | 0 | 0 | 0 | 109.4 | R1991 E1992 D1993 H1999 L2000 | R1991-N1995 PolarHBondContact O-ND2 3.35Å; E1992-N1995 PolarHBondContact O-N 3.32Å; D1993-N1995 PolarHBondContact OD1-N 2.66Å; N1995-H1999 WeakPolarHBondContact O-CA 3.33Å; N1995-H1999 PolarHBondContact O-ND1 3.28Å; N1995-L2000 PolarHBondContact ND2-O 3.2Å; N1995-L2000 PolarHBondContact OD1-N 3.26Å | ||
| 1996 | E | 83.5 | Confident | 85.4 | Confident | 126 Ų | 126 | 70.4 Ų | 70.4 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | trans | -128.6 | 169 | 174.8 | -65.9 | -163.2 | 166.4 | 0 | 0 | 109.7 | R1855 P1994 | R1855-E1996 PolarHBondContact NH1-O 2.84Å; R1855-E1996 PolarHBondContact NH2-O 3.28Å; P1994-E1996 PolarHBondContact O-N 3.39Å | ||
| 1997 | N | 83.4 | Confident | 84.6 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 58.3 | 58.1 | 173.3 | -52.6 | -62.3 | 0 | 0 | 0 | 115.7 | P1986 | P1986-N1997 PolarHBondContact O-ND2 3.49Š|
| 1998 | P | 83.8 | Confident | 83.6 | Confident | 39 Ų | 39 | 75.4 Ų | 75.4 | 25% | 0.253 | 38% | 0.381 | S | S | . | . | S | Bend | cis | -95.4 | 156.4 | -2.7 | 35.6 | -33.1 | 0 | 0 | 0 | 112.3 | V1802 R1855 L2000 | V1802-P1998 HydrophobicContact CG2-CG 4.43Å; R1855-P1998 PolarHBondContact NH2-O 2.84Å; P1998-L2000 HydrophobicContact CG-CD2 4.19Å; P1998-L2000 PolarHBondContact O-N 2.97Å |
| 1999 | H | 87 | Confident | 82.7 | Confident | 126 Ų | 126 | 76 Ų | 76 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | trans | -62.6 | 123.7 | 173.5 | -175.1 | 75.7 | 0 | 0 | 0 | 111.1 | N1995 | N1995-H1999 WeakPolarHBondContact O-CA 3.33Å; N1995-H1999 PolarHBondContact O-ND1 3.28Å | ||
| 2000 | L | 90.3 | Very high | 81.6 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | trans | -103.2 | 106.1 | -178.2 | -62.8 | 178 | 0 | 0 | 0 | 110.5 | V1802 W1804 R1855 A1990 R1991 N1995 P1998 | V1802-L2000 HydrophobicContact CG1-CD1 4.28Å; V1802-L2000 HydrophobicContact CG1-CD2 3.73Å; W1804-L2000 HydrophobicContact CH2-CD2 3.61Å; W1804-L2000 HydrophobicContact CZ2-CD2 4.19Å; W1804-L2000 HydrophobicContact CZ3-CD2 3.96Å; R1855-L2000 HydrophobicContact CB-CD1 3.75Å; A1990-L2000 WeakPolarHBondContact O-CD1 3.24Å; R1991-L2000 HydrophobicContact CG-CB 4Å; N1995-L2000 PolarHBondContact ND2-O 3.2Å; N1995-L2000 PolarHBondContact OD1-N 3.26Å; P1998-L2000 HydrophobicContact CG-CD2 4.19Å; P1998-L2000 PolarHBondContact O-N 2.97Å | ||
| 2001 | E | 86.8 | Confident | 80.4 | Confident | 110 Ų | 110 | 74.1 Ų | 74.1 | 51% | 0.514 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 150.1 | 170.6 | -68.1 | -176.1 | -177.7 | 0 | 0 | 110.8 | N1853 | N1853-E2001 WeakPolarHBondContact CB-O 3.43Å; N1853-E2001 PolarHBondContact ND2-O 3.43Å |
| 2002 | P | 83.1 | Confident | 79.1 | Confident | 92 Ų | 92 | 76.1 Ų | 76.1 | 60% | 0.597 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 143.5 | 168.2 | -22.8 | 32.7 | 0 | 0 | 0 | 112 | ||
| 2003 | P | 84.6 | Confident | 77.9 | Confident | 22 Ų | 22 | 77.6 Ų | 77.6 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 137.5 | -175.2 | 27.1 | -33.6 | 0 | 0 | 0 | 111.6 | N1851 R2005 | N1851-P2003 HydrophobicContact CB-CB 4.23Å; N1851-P2003 WeakPolarHBondContact O-CB 3.34Å; P2003-R2005 HydrophobicContact CB-CG 4.19Å; P2003-R2005 HydrophobicContact CG-CG 4.41Å; P2003-R2005 PolarHBondContact O-N 2.86Å; P2003-R2005 VanDerWaalsContact O-N 3.15Å |
| 2004 | K | 79.5 | Confident | 77 | Confident | 169 Ų | 169 | 75 Ų | 75 | 74% | 0.735 | 38% | 0.378 | S | S | * | . | trans | -80.3 | 93.9 | 173.6 | -70.2 | 176.7 | -175.3 | 167 | 0 | 109.1 | N1851 | N1851-K2004 PolarHBondContact ND2-O 3.2Å; N1851-K2004 VanDerWaalsContact ND2-O 3.12Å | ||
| 2005 | R | 82.3 | Confident | 75.9 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | trans | -106 | 151.8 | 177.7 | -60.8 | -179.8 | -176.3 | 164.3 | 2.3 | 110.6 | D1840 V1841 N1851 P2003 | D1840-R2005 IonicContact OD1-CZ 2.65Å; D1840-R2005 IonicContact OD1-NH2 3.73Å; D1840-R2005 PolarHBondContact OD1-NH2 3.43Å; D1840-R2005 IonicContact OD2-CZ 2.99Å; D1840-R2005 IonicContact OD2-NH1 3.54Å; D1840-R2005 PolarHBondContact OD2-NH1 2.89Å; D1840-R2005 IonicContact OD2-NH2 3.25Å; D1840-R2005 PolarHBondContact OD2-NH2 2.69Å; D1840-R2005 VanDerWaalsContact OD2-NH2 3.1Å; V1841-R2005 PolarHBondContact O-NH1 3Å; N1851-R2005 HydrophobicContact CB-CG 4.29Å; N1851-R2005 PolarHBondContact O-NE 2.82Å; N1851-R2005 PolarHBondContact O-NH2 2.78Å; P2003-R2005 HydrophobicContact CB-CG 4.19Å; P2003-R2005 HydrophobicContact CG-CG 4.41Å; P2003-R2005 PolarHBondContact O-N 2.86Å; P2003-R2005 VanDerWaalsContact O-N 3.15Å | ||
| 2006 | P | 72.6 | Confident | 74.7 | Confident | 75 Ų | 75 | 77 Ų | 77 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | trans | -53.5 | 146.7 | 172.3 | -24.1 | 33.5 | 0 | 0 | 0 | 111.2 | T2008 S2009 | P2006-T2008 WeakPolarHBondContact CB-OG1 3.31Å; P2006-T2008 PolarHBondContact O-N 2.84Å; P2006-S2009 VanDerWaalsContact O-CB 3.27Å; P2006-S2009 WeakPolarHBondContact O-CB 3.43Å; P2006-S2009 PolarHBondContact O-N 2.88Å | ||
| 2007 | E | 69.1 | Low | 73.9 | Confident | 136 Ų | 136 | 81.4 Ų | 81.4 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -13.2 | 176.5 | -69.2 | -170.2 | 154.5 | 0 | 0 | 113.3 | F2010 F2022 | E2007-F2010 WeakPolarHBondContact O-CD1 3.33Å; E2007-F2010 WeakPolarHBondContact O-CE1 3.27Å; E2007-F2022 HydrophobicContact CB-CE1 4.44Å; E2007-F2022 HydrophobicContact CB-CE2 4.46Å; E2007-F2022 HydrophobicContact CB-CZ 4.21Å; E2007-F2022 VanDerWaalsContact OE2-CE1 3.28Å; E2007-F2022 WeakPolarHBondContact OE2-CE1 3.47Å; E2007-F2022 WeakPolarHBondContact OE2-CZ 3.24Å |
| 2008 | T | 66.5 | Low | 72.9 | Confident | 51 Ų | 51 | 83.9 Ų | 83.9 | 31% | 0.313 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.9 | 172.5 | 48.1 | 0 | 0 | 0 | 0 | 114.6 | P2006 F2010 F2022 | P2006-T2008 WeakPolarHBondContact CB-OG1 3.31Å; P2006-T2008 PolarHBondContact O-N 2.84Å; T2008-F2010 PolarHBondContact O-N 3.34Å; T2008-F2010 VanDerWaalsContact O-N 3.11Å; T2008-F2022 HydrophobicContact CG2-CB 3.85Å; T2008-F2022 HydrophobicContact CG2-CG 4.47Å |
| 2009 | S | 68.1 | Low | 71.9 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 16% | 0.161 | 41% | 0.405 | C | S | . | . | trans | -83.5 | 81.6 | -179.8 | -175 | 0 | 0 | 0 | 0 | 110.6 | H1842 Y1843 P2006 | H1842-S2009 PolarHBondContact CD2-OG 2.93Å; H1842-S2009 PolarHBondContact NE2-OG 3.47Å; Y1843-S2009 WeakPolarHBondContact O-CA 3.31Å; Y1843-S2009 WeakPolarHBondContact O-CB 3.47Å; Y1843-S2009 PolarHBondContact O-OG 3.08Å; P2006-S2009 VanDerWaalsContact O-CB 3.27Å; P2006-S2009 WeakPolarHBondContact O-CB 3.43Å; P2006-S2009 PolarHBondContact O-N 2.88Å | ||
| 2010 | F | 67.7 | Low | 70.9 | Confident | 16 Ų | 16 | 80.9 Ų | 80.9 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -154.4 | 155.3 | 175.3 | 56.5 | -94.4 | 0 | 0 | 0 | 109.5 | E2007 T2008 W2012 K2018 T2019 I2023 | E2007-F2010 WeakPolarHBondContact O-CD1 3.33Å; E2007-F2010 WeakPolarHBondContact O-CE1 3.27Å; T2008-F2010 PolarHBondContact O-N 3.34Å; T2008-F2010 VanDerWaalsContact O-N 3.11Å; F2010-W2012 PolarHBondContact O-N 2.87Å; F2010-W2012 VanDerWaalsContact O-N 3.13Å; F2010-K2018 HydrophobicContact CD1-CB 4.24Å; F2010-K2018 HydrophobicContact CD1-CD 3.98Å; F2010-K2018 HydrophobicContact CD2-CB 4.48Å; F2010-K2018 HydrophobicContact CE1-CB 3.53Å; F2010-K2018 HydrophobicContact CE1-CD 4.02Å; F2010-K2018 HydrophobicContact CE1-CG 4.42Å; F2010-K2018 HydrophobicContact CE2-CB 3.84Å; F2010-K2018 HydrophobicContact CG-CD 4.45Å; F2010-K2018 VanDerWaalsContact CZ-C 3.49Å; F2010-K2018 HydrophobicContact CZ-CB 3.33Å; F2010-T2019 WeakPolarHBondContact CE2-OG1 3.42Å; F2010-I2023 HydrophobicContact CZ-CD1 4.48Å |
| 2011 | L | 66.1 | Low | 69.7 | Low | 37 Ų | 37 | 87 Ų | 87 | 19% | 0.194 | 42% | 0.422 | C | S | . | . | trans | -61.7 | 116.5 | 168.5 | -111.2 | 99.6 | 0 | 0 | 0 | 109.7 | Y1843 L1900 F2013 T2014 S2015 | Y1843-L2011 HydrophobicContact CD1-CD1 3.64Å; Y1843-L2011 HydrophobicContact CD1-CG 4.38Å; Y1843-L2011 HydrophobicContact CD2-CD1 3.87Å; Y1843-L2011 HydrophobicContact CE1-CD1 3.18Å; Y1843-L2011 HydrophobicContact CE1-CG 4.2Å; Y1843-L2011 HydrophobicContact CE2-CD1 3.38Å; Y1843-L2011 HydrophobicContact CG-CD1 3.99Å; Y1843-L2011 WeakPolarHBondContact OH-CD1 3.38Å; L1900-L2011 HydrophobicContact CD1-CD2 3.96Å; L1900-L2011 HydrophobicContact CD2-CD2 4.23Å; L2011-F2013 PolarHBondContact O-N 3.29Å; L2011-T2014 HydrophobicContact CB-CG2 3.7Å; L2011-T2014 WeakPolarHBondContact CB-OG1 3.34Å; L2011-T2014 HydrophobicContact CD2-CG2 4.12Å; L2011-T2014 HydrophobicContact CG-CG2 4.5Å; L2011-T2014 PolarHBondContact O-N 2.91Å; L2011-T2014 PolarHBondContact O-OG1 3.01Å; L2011-S2015 PolarHBondContact O-N 2.9Å | ||
| 2012 | W | 62.1 | Low | 68.5 | Low | 114 Ų | 114 | 84.2 Ų | 84.2 | 43% | 0.432 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.1 | -175.2 | 70.6 | -82 | 0 | 0 | 0 | 114.3 | I1816 F2010 T2019 | I1816-W2012 HydrophobicContact CD1-CZ2 4.48Å; F2010-W2012 PolarHBondContact O-N 2.87Å; F2010-W2012 VanDerWaalsContact O-N 3.13Å; W2012-T2019 HydrophobicContact CB-CG2 4.09Å; W2012-T2019 HydrophobicContact CE3-CG2 4.49Å; W2012-T2019 PolarHBondContact O-OG1 2.91Å |
| 2013 | F | 63.8 | Low | 67.5 | Low | 160 Ų | 160 | 81.4 Ų | 81.4 | 70% | 0.702 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -28.6 | 175.7 | -167.4 | -96.6 | 0 | 0 | 0 | 113.4 | L2011 | L2011-F2013 PolarHBondContact O-N 3.29Š|
| 2014 | T | 61.6 | Low | 66.5 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 56% | 0.564 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -21 | -178.6 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | L2011 | L2011-T2014 HydrophobicContact CB-CG2 3.7Å; L2011-T2014 WeakPolarHBondContact CB-OG1 3.34Å; L2011-T2014 HydrophobicContact CD2-CG2 4.12Å; L2011-T2014 HydrophobicContact CG-CG2 4.5Å; L2011-T2014 PolarHBondContact O-N 2.91Å; L2011-T2014 PolarHBondContact O-OG1 3.01Å |
| 2015 | S | 63.9 | Low | 65.9 | Low | 30 Ų | 30 | 80.3 Ų | 80.3 | 21% | 0.21 | 38% | 0.38 | C | S | . | . | trans | -133 | 58.7 | -172.6 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | L2011 W2017 K2018 T2019 | L2011-S2015 PolarHBondContact O-N 2.9Å; S2015-W2017 VanDerWaalsContact C-N 3.26Å; S2015-W2017 PolarHBondContact O-N 2.81Å; S2015-W2017 VanDerWaalsContact O-N 3.07Å; S2015-K2018 PolarHBondContact O-N 2.74Å; S2015-T2019 PolarHBondContact O-N 2.83Å; S2015-T2019 PolarHBondContact O-OG1 2.83Å | ||
| 2016 | P | 63 | Low | 64.9 | Low | 84 Ų | 84 | 85.9 Ų | 85.9 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.3 | -34.1 | -169.8 | 17.9 | -30.3 | 0 | 0 | 0 | 114.5 | T2019 F2020 | P2016-T2019 WeakPolarHBondContact O-CB 3.35Å; P2016-T2019 PolarHBondContact O-N 3.48Å; P2016-F2020 PolarHBondContact O-N 2.87Å |
| 2017 | W | 66.6 | Low | 64.4 | Low | 219 Ų | 219 | 88.2 Ų | 88.2 | 83% | 0.83 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.7 | -40.3 | 175.5 | -70.1 | 106.8 | 0 | 0 | 0 | 113.6 | S2015 T2019 F2020 K2021 | S2015-W2017 VanDerWaalsContact C-N 3.26Å; S2015-W2017 PolarHBondContact O-N 2.81Å; S2015-W2017 VanDerWaalsContact O-N 3.07Å; W2017-T2019 VanDerWaalsContact C-N 3.31Å; W2017-F2020 PolarHBondContact O-N 2.94Å; W2017-K2021 WeakPolarHBondContact O-CB 3.48Å; W2017-K2021 PolarHBondContact O-N 2.85Å |
| 2018 | K | 63.3 | Low | 64.2 | Low | 105 Ų | 105 | 86.2 Ų | 86.2 | 46% | 0.457 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 172.7 | -68.4 | -172.7 | 177.6 | 178.6 | 0 | 109.6 | F2010 S2015 F2020 K2021 F2022 | F2010-K2018 HydrophobicContact CD1-CB 4.24Å; F2010-K2018 HydrophobicContact CD1-CD 3.98Å; F2010-K2018 HydrophobicContact CD2-CB 4.48Å; F2010-K2018 HydrophobicContact CE1-CB 3.53Å; F2010-K2018 HydrophobicContact CE1-CD 4.02Å; F2010-K2018 HydrophobicContact CE1-CG 4.42Å; F2010-K2018 HydrophobicContact CE2-CB 3.84Å; F2010-K2018 HydrophobicContact CG-CD 4.45Å; F2010-K2018 VanDerWaalsContact CZ-C 3.49Å; F2010-K2018 HydrophobicContact CZ-CB 3.33Å; S2015-K2018 PolarHBondContact O-N 2.74Å; K2018-F2020 PolarHBondContact O-N 2.82Å; K2018-K2021 PolarHBondContact O-N 2.78Å; K2018-F2022 HydrophobicContact CB-CD2 4.04Å; K2018-F2022 HydrophobicContact CB-CE2 4.35Å; K2018-F2022 HydrophobicContact CG-CE2 4.32Å; K2018-F2022 WeakPolarHBondContact O-CB 3.21Å; K2018-F2022 VanDerWaalsContact O-CD2 3.3Å; K2018-F2022 WeakPolarHBondContact O-CD2 3.31Å; K2018-F2022 PolarHBondContact O-N 2.78Å |
| 2019 | T | 62 | Low | 64.1 | Low | 15 Ų | 15 | 87.7 Ų | 87.7 | 9% | 0.092 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.2 | -49.8 | 176.1 | -50.7 | 0 | 0 | 0 | 0 | 111 | F2010 W2012 S2015 P2016 W2017 I2023 I2024 | F2010-T2019 WeakPolarHBondContact CE2-OG1 3.42Å; W2012-T2019 HydrophobicContact CB-CG2 4.09Å; W2012-T2019 HydrophobicContact CE3-CG2 4.49Å; W2012-T2019 PolarHBondContact O-OG1 2.91Å; S2015-T2019 PolarHBondContact O-N 2.83Å; S2015-T2019 PolarHBondContact O-OG1 2.83Å; P2016-T2019 WeakPolarHBondContact O-CB 3.35Å; P2016-T2019 PolarHBondContact O-N 3.48Å; W2017-T2019 VanDerWaalsContact C-N 3.31Å; T2019-I2023 HydrophobicContact CG2-CD1 3.73Å; T2019-I2023 WeakPolarHBondContact O-CB 3.05Å; T2019-I2023 PolarHBondContact O-N 2.81Å; T2019-I2024 PolarHBondContact O-N 3.25Å |
| 2020 | F | 66 | Low | 64.2 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 38% | 0.382 | 43% | 0.429 | S | S | . | . | I | π-helix | trans | -62.5 | -50.7 | 178.1 | -177.2 | -98.7 | 0 | 0 | 0 | 112.6 | P2016 W2017 K2018 I2024 W2025 | P2016-F2020 PolarHBondContact O-N 2.87Å; W2017-F2020 PolarHBondContact O-N 2.94Å; K2018-F2020 PolarHBondContact O-N 2.82Å; F2020-I2024 HydrophobicContact CD2-CB 4Å; F2020-I2024 HydrophobicContact CD2-CD1 4.11Å; F2020-I2024 HydrophobicContact CD2-CG2 3.97Å; F2020-I2024 HydrophobicContact CE2-CB 4.48Å; F2020-I2024 HydrophobicContact CE2-CG2 4.01Å; F2020-I2024 PolarHBondContact O-N 2.82Å; F2020-W2025 AromaticContact CE1-CE3 3.77Å; F2020-W2025 HydrophobicContact CE1-CE3 3.77Å; F2020-W2025 HydrophobicContact CE1-CZ3 4.4Å; F2020-W2025 AromaticContact CZ-CE3 3.79Å; F2020-W2025 HydrophobicContact CZ-CE3 3.79Å; F2020-W2025 HydrophobicContact CZ-CZ3 4.32Å; F2020-W2025 WeakPolarHBondContact O-CB 3.48Å; F2020-W2025 PolarHBondContact O-N 2.95Å |
| 2021 | K | 64.3 | Low | 64.4 | Low | 132 Ų | 132 | 99.1 Ų | 99.1 | 57% | 0.574 | 45% | 0.451 | S | S | * | . | I | π-helix | trans | -63.1 | -46.9 | -176.2 | -177.4 | -177 | 176.5 | -171.1 | 0 | 112.7 | W2017 K2018 | W2017-K2021 WeakPolarHBondContact O-CB 3.48Å; W2017-K2021 PolarHBondContact O-N 2.85Å; K2018-K2021 PolarHBondContact O-N 2.78Å |
| 2022 | F | 61.8 | Low | 64.7 | Low | 50 Ų | 50 | 99 Ų | 99 | 22% | 0.219 | 45% | 0.45 | C | S | . | . | I | π-helix | trans | -92.5 | -24.8 | -169.8 | -66.1 | -71.6 | 0 | 0 | 0 | 113.7 | E2007 T2008 K2018 | E2007-F2022 HydrophobicContact CB-CE1 4.44Å; E2007-F2022 HydrophobicContact CB-CE2 4.46Å; E2007-F2022 HydrophobicContact CB-CZ 4.21Å; E2007-F2022 VanDerWaalsContact OE2-CE1 3.28Å; E2007-F2022 WeakPolarHBondContact OE2-CE1 3.47Å; E2007-F2022 WeakPolarHBondContact OE2-CZ 3.24Å; T2008-F2022 HydrophobicContact CG2-CB 3.85Å; T2008-F2022 HydrophobicContact CG2-CG 4.47Å; K2018-F2022 HydrophobicContact CB-CD2 4.04Å; K2018-F2022 HydrophobicContact CB-CE2 4.35Å; K2018-F2022 HydrophobicContact CG-CE2 4.32Å; K2018-F2022 WeakPolarHBondContact O-CB 3.21Å; K2018-F2022 VanDerWaalsContact O-CD2 3.3Å; K2018-F2022 WeakPolarHBondContact O-CD2 3.31Å; K2018-F2022 PolarHBondContact O-N 2.78Å |
| 2023 | I | 61.8 | Low | 65.3 | Low | 34 Ų | 34 | 95.9 Ų | 95.9 | 17% | 0.174 | 44% | 0.442 | C | S | . | . | I | π-helix | trans | -109.7 | -59.8 | -175 | -55.2 | 156.4 | 0 | 0 | 0 | 110.6 | T1817 F2010 T2019 | T1817-I2023 HydrophobicContact CG2-CG2 4.18Å; F2010-I2023 HydrophobicContact CZ-CD1 4.48Å; T2019-I2023 HydrophobicContact CG2-CD1 3.73Å; T2019-I2023 WeakPolarHBondContact O-CB 3.05Å; T2019-I2023 PolarHBondContact O-N 2.81Å |
| 2024 | I | 65.3 | Low | 65.9 | Low | 64 Ų | 64 | 89.9 Ų | 89.9 | 33% | 0.328 | 43% | 0.425 | S | S | . | . | I | π-helix | trans | -70.4 | -51.1 | -172.1 | -60.1 | 176.6 | 0 | 0 | 0 | 110.8 | T2019 F2020 K2026 M2028 I2032 | T2019-I2024 PolarHBondContact O-N 3.25Å; F2020-I2024 HydrophobicContact CD2-CB 4Å; F2020-I2024 HydrophobicContact CD2-CD1 4.11Å; F2020-I2024 HydrophobicContact CD2-CG2 3.97Å; F2020-I2024 HydrophobicContact CE2-CB 4.48Å; F2020-I2024 HydrophobicContact CE2-CG2 4.01Å; F2020-I2024 PolarHBondContact O-N 2.82Å; I2024-K2026 PolarHBondContact O-N 3.19Å; I2024-M2028 HydrophobicContact CG2-CE 3.79Å; I2024-M2028 WeakPolarHBondContact O-CB 3.22Å; I2024-M2028 PolarHBondContact O-N 3.03Å; I2024-I2032 HydrophobicContact CG2-CD1 4.17Å |
| 2025 | W | 65.3 | Low | 66.7 | Low | 104 Ų | 104 | 90.5 Ų | 90.5 | 39% | 0.394 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | -176.8 | -172.9 | -93.9 | 0 | 0 | 0 | 112.5 | F2020 K2027 K2029 I2032 | F2020-W2025 AromaticContact CE1-CE3 3.77Å; F2020-W2025 HydrophobicContact CE1-CE3 3.77Å; F2020-W2025 HydrophobicContact CE1-CZ3 4.4Å; F2020-W2025 AromaticContact CZ-CE3 3.79Å; F2020-W2025 HydrophobicContact CZ-CE3 3.79Å; F2020-W2025 HydrophobicContact CZ-CZ3 4.32Å; F2020-W2025 WeakPolarHBondContact O-CB 3.48Å; F2020-W2025 PolarHBondContact O-N 2.95Å; W2025-K2027 PolarHBondContact O-N 2.83Å; W2025-K2029 VanDerWaalsContact O-CA 3.27Å; W2025-K2029 WeakPolarHBondContact O-CA 3.49Å; W2025-K2029 WeakPolarHBondContact O-CB 3.25Å; W2025-K2029 PolarHBondContact O-N 2.78Å; W2025-I2032 HydrophobicContact CE3-CD1 4.17Å; W2025-I2032 HydrophobicContact CE3-CG2 4.41Å; W2025-I2032 HydrophobicContact CZ3-CG2 3.91Å |
| 2026 | K | 61.8 | Low | 67.4 | Low | 175 Ų | 175 | 93.3 Ų | 93.3 | 76% | 0.761 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.2 | -38.7 | -174.3 | -150.2 | -177.7 | -176.2 | -175 | 0 | 112.8 | I2024 | I2024-K2026 PolarHBondContact O-N 3.19Å |
| 2027 | K | 61.3 | Low | 68.1 | Low | 125 Ų | 125 | 93.5 Ų | 93.5 | 54% | 0.543 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -90.2 | -38.7 | 178 | -75.9 | -172.8 | 177.8 | 175.1 | 0 | 113.1 | T1817 E1819 W2025 | T1817-K2027 PolarHBondContact OG1-NZ 3.39Å; E1819-K2027 IonicContact OE1-NZ 3.84Å; E1819-K2027 PolarHBondContact OE1-NZ 3.24Å; W2025-K2027 PolarHBondContact O-N 2.83Å |
| 2028 | M | 66.4 | Low | 68.8 | Low | 93 Ų | 93 | 90.8 Ų | 90.8 | 46% | 0.458 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -99.3 | 8.6 | -175.3 | -61.3 | -153.3 | -65.3 | 0 | 0 | 114.3 | I2024 W2030 V2031 I2032 | I2024-M2028 HydrophobicContact CG2-CE 3.79Å; I2024-M2028 WeakPolarHBondContact O-CB 3.22Å; I2024-M2028 PolarHBondContact O-N 3.03Å; M2028-W2030 VanDerWaalsContact C-N 3.28Å; M2028-W2030 PolarHBondContact O-N 3.27Å; M2028-W2030 VanDerWaalsContact O-N 3.11Å; M2028-V2031 HydrophobicContact CB-CB 4.37Å; M2028-V2031 CarbonylContact O-C 3.51Å; M2028-V2031 WeakPolarHBondContact O-CA 3.1Å; M2028-V2031 WeakPolarHBondContact O-CB 2.95Å; M2028-V2031 PolarHBondContact O-N 3.33Å; M2028-I2032 HydrophobicContact CB-CD1 3.96Å; M2028-I2032 HydrophobicContact CB-CG1 4.11Å; M2028-I2032 VanDerWaalsContact O-CG1 3.31Å; M2028-I2032 WeakPolarHBondContact O-CG1 3.16Å; M2028-I2032 PolarHBondContact O-N 2.9Å |
| 2029 | K | 63.5 | Low | 69.6 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -39.8 | -54.2 | 178.9 | 155.8 | 179.9 | 168.2 | -179.5 | 0 | 113 | W2025 I2032 I2033 | W2025-K2029 VanDerWaalsContact O-CA 3.27Å; W2025-K2029 WeakPolarHBondContact O-CA 3.49Å; W2025-K2029 WeakPolarHBondContact O-CB 3.25Å; W2025-K2029 PolarHBondContact O-N 2.78Å; K2029-I2032 PolarHBondContact O-N 2.65Å; K2029-I2033 HydrophobicContact CD-CD1 4.42Å; K2029-I2033 HydrophobicContact CG-CD1 3.67Å; K2029-I2033 WeakPolarHBondContact O-CB 3.38Å; K2029-I2033 WeakPolarHBondContact O-CG1 3.26Å; K2029-I2033 PolarHBondContact O-N 2.75Å |
| 2030 | W | 71.1 | Confident | 70.4 | Confident | 190 Ų | 190 | 94.8 Ų | 94.8 | 72% | 0.72 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -74.7 | -30.2 | -174.7 | -67.3 | 110 | 0 | 0 | 0 | 112.5 | M2028 G2034 | M2028-W2030 VanDerWaalsContact C-N 3.28Å; M2028-W2030 PolarHBondContact O-N 3.27Å; M2028-W2030 VanDerWaalsContact O-N 3.11Å; W2030-G2034 WeakPolarHBondContact O-CA 3.39Å; W2030-G2034 PolarHBondContact O-N 3.02Å |
| 2031 | V | 71.6 | Confident | 71.1 | Confident | 90 Ų | 90 | 94.8 Ų | 94.8 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 172.1 | 180 | 0 | 0 | 0 | 0 | 110.3 | M2028 G2034 L2035 | M2028-V2031 HydrophobicContact CB-CB 4.37Å; M2028-V2031 CarbonylContact O-C 3.51Å; M2028-V2031 WeakPolarHBondContact O-CA 3.1Å; M2028-V2031 WeakPolarHBondContact O-CB 2.95Å; M2028-V2031 PolarHBondContact O-N 3.33Å; V2031-G2034 PolarHBondContact O-N 2.71Å; V2031-L2035 HydrophobicContact CG1-CD1 4.45Å; V2031-L2035 WeakPolarHBondContact O-CB 3.4Å; V2031-L2035 PolarHBondContact O-N 3.02Å |
| 2032 | I | 72.3 | Confident | 71.8 | Confident | 33 Ų | 33 | 90 Ų | 90 | 17% | 0.169 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.1 | -47.2 | 177.7 | -64 | 165.6 | 0 | 0 | 0 | 110.8 | I2024 W2025 M2028 K2029 G2034 L2035 L2036 | I2024-I2032 HydrophobicContact CG2-CD1 4.17Å; W2025-I2032 HydrophobicContact CE3-CD1 4.17Å; W2025-I2032 HydrophobicContact CE3-CG2 4.41Å; W2025-I2032 HydrophobicContact CZ3-CG2 3.91Å; M2028-I2032 HydrophobicContact CB-CD1 3.96Å; M2028-I2032 HydrophobicContact CB-CG1 4.11Å; M2028-I2032 VanDerWaalsContact O-CG1 3.31Å; M2028-I2032 WeakPolarHBondContact O-CG1 3.16Å; M2028-I2032 PolarHBondContact O-N 2.9Å; K2029-I2032 PolarHBondContact O-N 2.65Å; I2032-G2034 VanDerWaalsContact C-N 3.35Å; I2032-L2035 PolarHBondContact O-N 2.73Å; I2032-L2036 HydrophobicContact CG2-CD1 4.29Å; I2032-L2036 WeakPolarHBondContact O-CB 3.23Å; I2032-L2036 PolarHBondContact O-N 3.01Å |
| 2033 | I | 75.7 | Confident | 72.7 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 25% | 0.251 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.9 | -69.1 | 169.1 | 0 | 0 | 0 | 110.1 | K2029 L2036 I2037 | K2029-I2033 HydrophobicContact CD-CD1 4.42Å; K2029-I2033 HydrophobicContact CG-CD1 3.67Å; K2029-I2033 WeakPolarHBondContact O-CB 3.38Å; K2029-I2033 WeakPolarHBondContact O-CG1 3.26Å; K2029-I2033 PolarHBondContact O-N 2.75Å; I2033-L2036 WeakPolarHBondContact O-CB 3.35Å; I2033-L2036 PolarHBondContact O-N 3.45Å; I2033-I2037 HydrophobicContact CG2-CD1 3.69Å; I2033-I2037 HydrophobicContact CG2-CG1 4.22Å; I2033-I2037 WeakPolarHBondContact O-CG1 3.32Å; I2033-I2037 PolarHBondContact O-N 2.88Å |
| 2034 | G | 75.6 | Confident | 73.5 | Confident | 34 Ų | 34 | 96 Ų | 96 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W2030 V2031 I2032 I2037 F2038 | W2030-G2034 WeakPolarHBondContact O-CA 3.39Å; W2030-G2034 PolarHBondContact O-N 3.02Å; V2031-G2034 PolarHBondContact O-N 2.71Å; I2032-G2034 VanDerWaalsContact C-N 3.35Å; G2034-I2037 PolarHBondContact O-N 3.28Å; G2034-F2038 VanDerWaalsContact O-CB 3.26Å; G2034-F2038 WeakPolarHBondContact O-CB 3.39Å; G2034-F2038 PolarHBondContact O-N 3.49Å |
| 2035 | L | 78.4 | Confident | 74.2 | Confident | 105 Ų | 105 | 97.7 Ų | 97.7 | 55% | 0.55 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 172.6 | -103.2 | 157.5 | 0 | 0 | 0 | 112.2 | V2031 I2032 F2038 L2039 | V2031-L2035 HydrophobicContact CG1-CD1 4.45Å; V2031-L2035 WeakPolarHBondContact O-CB 3.4Å; V2031-L2035 PolarHBondContact O-N 3.02Å; I2032-L2035 PolarHBondContact O-N 2.73Å; L2035-F2038 PolarHBondContact O-N 2.94Å; L2035-L2039 WeakPolarHBondContact O-CB 3.3Å; L2035-L2039 PolarHBondContact O-N 2.85Å |
| 2036 | L | 78.2 | Confident | 74.9 | Confident | 89 Ų | 89 | 97.5 Ų | 97.5 | 47% | 0.466 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.6 | -100 | 156.2 | 0 | 0 | 0 | 112.2 | I2032 I2033 L2039 I2040 | I2032-L2036 HydrophobicContact CG2-CD1 4.29Å; I2032-L2036 WeakPolarHBondContact O-CB 3.23Å; I2032-L2036 PolarHBondContact O-N 3.01Å; I2033-L2036 WeakPolarHBondContact O-CB 3.35Å; I2033-L2036 PolarHBondContact O-N 3.45Å; L2036-L2039 WeakPolarHBondContact O-CB 3.46Å; L2036-L2039 PolarHBondContact O-N 2.86Å; L2036-I2040 WeakPolarHBondContact O-CB 3.49Å; L2036-I2040 VanDerWaalsContact O-CG1 3.24Å; L2036-I2040 WeakPolarHBondContact O-CG1 3.38Å; L2036-I2040 PolarHBondContact O-N 2.83Å |
| 2037 | I | 78.7 | Confident | 75.5 | Confident | 88 Ų | 88 | 93.5 Ų | 93.5 | 45% | 0.451 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 176 | -69.5 | 171.3 | 0 | 0 | 0 | 110 | I2033 G2034 L2039 I2040 I2041 | I2033-I2037 HydrophobicContact CG2-CD1 3.69Å; I2033-I2037 HydrophobicContact CG2-CG1 4.22Å; I2033-I2037 WeakPolarHBondContact O-CG1 3.32Å; I2033-I2037 PolarHBondContact O-N 2.88Å; G2034-I2037 PolarHBondContact O-N 3.28Å; I2037-L2039 VanDerWaalsContact C-N 3.31Å; I2037-L2039 PolarHBondContact O-N 2.65Å; I2037-I2040 PolarHBondContact O-N 2.94Å; I2037-I2041 HydrophobicContact CG2-CD1 3.65Å; I2037-I2041 HydrophobicContact CG2-CG1 4.22Å; I2037-I2041 WeakPolarHBondContact O-CB 3.39Å; I2037-I2041 VanDerWaalsContact O-CG1 3.31Å; I2037-I2041 WeakPolarHBondContact O-CG1 3.32Å; I2037-I2041 PolarHBondContact O-N 3.27Å |
| 2038 | F | 80 | Confident | 76.1 | Confident | 163 Ų | 163 | 94.1 Ų | 94.1 | 72% | 0.715 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 177 | -166.8 | -92.8 | 0 | 0 | 0 | 111.5 | G2034 L2035 G2042 | G2034-F2038 VanDerWaalsContact O-CB 3.26Å; G2034-F2038 WeakPolarHBondContact O-CB 3.39Å; G2034-F2038 PolarHBondContact O-N 3.49Å; L2035-F2038 PolarHBondContact O-N 2.94Å; F2038-G2042 PolarHBondContact O-N 3.39Å |
| 2039 | L | 80 | Confident | 76.3 | Confident | 112 Ų | 112 | 94.2 Ų | 94.2 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 171.8 | -98 | 160.1 | 0 | 0 | 0 | 112.3 | L2035 L2036 I2037 G2042 L2043 | L2035-L2039 WeakPolarHBondContact O-CB 3.3Å; L2035-L2039 PolarHBondContact O-N 2.85Å; L2036-L2039 WeakPolarHBondContact O-CB 3.46Å; L2036-L2039 PolarHBondContact O-N 2.86Å; I2037-L2039 VanDerWaalsContact C-N 3.31Å; I2037-L2039 PolarHBondContact O-N 2.65Å; L2039-G2042 PolarHBondContact O-N 2.83Å; L2039-L2043 WeakPolarHBondContact O-CB 3.37Å; L2039-L2043 PolarHBondContact O-N 3.16Å |
| 2040 | I | 80 | Confident | 76.8 | Confident | 92 Ų | 92 | 99.3 Ų | 99.3 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 178.8 | -70.4 | 164.6 | 0 | 0 | 0 | 111 | L2036 I2037 L2043 L2044 | L2036-I2040 WeakPolarHBondContact O-CB 3.49Å; L2036-I2040 VanDerWaalsContact O-CG1 3.24Å; L2036-I2040 WeakPolarHBondContact O-CG1 3.38Å; L2036-I2040 PolarHBondContact O-N 2.83Å; I2037-I2040 PolarHBondContact O-N 2.94Å; I2040-L2043 PolarHBondContact O-N 2.65Å; I2040-L2044 HydrophobicContact CG2-CD1 4.02Å; I2040-L2044 WeakPolarHBondContact O-CB 3.29Å; I2040-L2044 WeakPolarHBondContact O-CG 3.24Å; I2040-L2044 PolarHBondContact O-N 2.98Å |
| 2041 | I | 79.2 | Confident | 76.6 | Confident | 86 Ų | 86 | 92.2 Ų | 92.2 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 175.7 | -69.5 | 171.5 | 0 | 0 | 0 | 109.9 | I2037 L2043 L2044 I2045 | I2037-I2041 HydrophobicContact CG2-CD1 3.65Å; I2037-I2041 HydrophobicContact CG2-CG1 4.22Å; I2037-I2041 WeakPolarHBondContact O-CB 3.39Å; I2037-I2041 VanDerWaalsContact O-CG1 3.31Å; I2037-I2041 WeakPolarHBondContact O-CG1 3.32Å; I2037-I2041 PolarHBondContact O-N 3.27Å; I2041-L2043 VanDerWaalsContact C-N 3.29Å; I2041-L2043 PolarHBondContact O-N 3.24Å; I2041-L2044 PolarHBondContact O-N 2.69Å; I2041-I2045 HydrophobicContact CG2-CD1 3.83Å; I2041-I2045 HydrophobicContact CG2-CG1 4.42Å; I2041-I2045 VanDerWaalsContact O-CG1 3.29Å; I2041-I2045 WeakPolarHBondContact O-CG1 3.23Å; I2041-I2045 PolarHBondContact O-N 2.84Å |
| 2042 | G | 81 | Confident | 76.4 | Confident | 32 Ų | 32 | 90.8 Ų | 90.8 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F2038 L2039 I2045 V2046 | F2038-G2042 PolarHBondContact O-N 3.39Å; L2039-G2042 PolarHBondContact O-N 2.83Å; G2042-I2045 PolarHBondContact O-N 3.27Å; G2042-V2046 VanDerWaalsContact O-CG2 3.26Å; G2042-V2046 WeakPolarHBondContact O-CG2 3.19Å; G2042-V2046 PolarHBondContact O-N 3.15Å |
| 2043 | L | 80.2 | Confident | 75.9 | Confident | 105 Ų | 105 | 93.1 Ų | 93.1 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 178.3 | -163.6 | 137.2 | 0 | 0 | 0 | 112.2 | L2039 I2040 I2041 V2046 L2047 | L2039-L2043 WeakPolarHBondContact O-CB 3.37Å; L2039-L2043 PolarHBondContact O-N 3.16Å; I2040-L2043 PolarHBondContact O-N 2.65Å; I2041-L2043 VanDerWaalsContact C-N 3.29Å; I2041-L2043 PolarHBondContact O-N 3.24Å; L2043-V2046 PolarHBondContact O-N 2.84Å; L2043-L2047 HydrophobicContact CD2-CD1 3.6Å; L2043-L2047 HydrophobicContact CD2-CG 4.3Å; L2043-L2047 WeakPolarHBondContact O-CB 3.49Å; L2043-L2047 WeakPolarHBondContact O-CG 3.45Å; L2043-L2047 PolarHBondContact O-N 2.86Å |
| 2044 | L | 79 | Confident | 75 | Confident | 104 Ų | 104 | 94.7 Ų | 94.7 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 172.6 | -85.8 | 166.1 | 0 | 0 | 0 | 112.1 | I2040 I2041 L2047 F2048 | I2040-L2044 HydrophobicContact CG2-CD1 4.02Å; I2040-L2044 WeakPolarHBondContact O-CB 3.29Å; I2040-L2044 WeakPolarHBondContact O-CG 3.24Å; I2040-L2044 PolarHBondContact O-N 2.98Å; I2041-L2044 PolarHBondContact O-N 2.69Å; L2044-L2047 PolarHBondContact O-N 2.71Å; L2044-F2048 WeakPolarHBondContact O-CB 3.47Å; L2044-F2048 PolarHBondContact O-N 3.02Å |
| 2045 | I | 78.7 | Confident | 74.2 | Confident | 100 Ų | 100 | 98.9 Ų | 98.9 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.2 | -69.2 | 167.1 | 0 | 0 | 0 | 109.9 | I2041 G2042 F2048 V2049 | I2041-I2045 HydrophobicContact CG2-CD1 3.83Å; I2041-I2045 HydrophobicContact CG2-CG1 4.42Å; I2041-I2045 VanDerWaalsContact O-CG1 3.29Å; I2041-I2045 WeakPolarHBondContact O-CG1 3.23Å; I2041-I2045 PolarHBondContact O-N 2.84Å; G2042-I2045 PolarHBondContact O-N 3.27Å; I2045-F2048 PolarHBondContact O-N 2.61Å; I2045-V2049 HydrophobicContact CG2-CG2 4.44Å; I2045-V2049 VanDerWaalsContact O-CG2 3.31Å; I2045-V2049 WeakPolarHBondContact O-CG2 3.48Å; I2045-V2049 PolarHBondContact O-N 2.97Å |
| 2046 | V | 79.6 | Confident | 73.4 | Confident | 100 Ų | 100 | 98.6 Ų | 98.6 | 61% | 0.606 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | G2042 L2043 F2048 V2049 Y2050 | G2042-V2046 VanDerWaalsContact O-CG2 3.26Å; G2042-V2046 WeakPolarHBondContact O-CG2 3.19Å; G2042-V2046 PolarHBondContact O-N 3.15Å; L2043-V2046 PolarHBondContact O-N 2.84Å; V2046-F2048 VanDerWaalsContact C-N 3.33Å; V2046-F2048 PolarHBondContact O-N 3.5Å; V2046-V2049 PolarHBondContact O-N 2.88Å; V2046-Y2050 VanDerWaalsContact O-CB 3.24Å; V2046-Y2050 WeakPolarHBondContact O-CB 3.34Å; V2046-Y2050 PolarHBondContact O-N 2.99Å |
| 2047 | L | 75.1 | Confident | 72.5 | Confident | 91 Ų | 91 | 97.1 Ų | 97.1 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 175.1 | -80.8 | 170.9 | 0 | 0 | 0 | 112.4 | L2043 L2044 Y2050 A2051 | L2043-L2047 HydrophobicContact CD2-CD1 3.6Å; L2043-L2047 HydrophobicContact CD2-CG 4.3Å; L2043-L2047 WeakPolarHBondContact O-CB 3.49Å; L2043-L2047 WeakPolarHBondContact O-CG 3.45Å; L2043-L2047 PolarHBondContact O-N 2.86Å; L2044-L2047 PolarHBondContact O-N 2.71Å; L2047-Y2050 PolarHBondContact O-N 2.79Å; L2047-A2051 VanDerWaalsContact O-CB 3.23Å; L2047-A2051 WeakPolarHBondContact O-CB 3.33Å; L2047-A2051 PolarHBondContact O-N 2.64Å |
| 2048 | F | 73.4 | Confident | 71.5 | Confident | 139 Ų | 139 | 102.8 Ų | 102.8 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.5 | -45.4 | 179 | -177.2 | -102.4 | 0 | 0 | 0 | 111.7 | L2044 I2045 V2046 Y2050 A2051 I2052 | L2044-F2048 WeakPolarHBondContact O-CB 3.47Å; L2044-F2048 PolarHBondContact O-N 3.02Å; I2045-F2048 PolarHBondContact O-N 2.61Å; V2046-F2048 VanDerWaalsContact C-N 3.33Å; V2046-F2048 PolarHBondContact O-N 3.5Å; F2048-Y2050 VanDerWaalsContact C-N 3.28Å; F2048-Y2050 PolarHBondContact O-N 3.24Å; F2048-A2051 PolarHBondContact O-N 3.38Å; F2048-I2052 HydrophobicContact CD1-CD1 3.8Å; F2048-I2052 HydrophobicContact CE1-CD1 3.31Å; F2048-I2052 HydrophobicContact CE1-CG1 4.24Å; F2048-I2052 HydrophobicContact CE2-CD1 4.44Å; F2048-I2052 HydrophobicContact CZ-CD1 3.68Å; F2048-I2052 HydrophobicContact CZ-CG1 4.27Å; F2048-I2052 WeakPolarHBondContact O-CG1 3.47Å; F2048-I2052 PolarHBondContact O-N 3.47Å; F2048-I2052 VanDerWaalsContact O-N 3.08Å |
| 2049 | V | 72 | Confident | 70.4 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -38 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | I2045 V2046 P2053 | I2045-V2049 HydrophobicContact CG2-CG2 4.44Å; I2045-V2049 VanDerWaalsContact O-CG2 3.31Å; I2045-V2049 WeakPolarHBondContact O-CG2 3.48Å; I2045-V2049 PolarHBondContact O-N 2.97Å; V2046-V2049 PolarHBondContact O-N 2.88Å; V2049-P2053 WeakPolarHBondContact O-CD 3.49Å |
| 2050 | Y | 73.3 | Confident | 69.3 | Low | 189 Ų | 189 | 106.7 Ų | 106.7 | 74% | 0.741 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.6 | -36.7 | 175.7 | -174.4 | -97.2 | 0 | 0 | 0 | 113 | V2046 L2047 F2048 | V2046-Y2050 VanDerWaalsContact O-CB 3.24Å; V2046-Y2050 WeakPolarHBondContact O-CB 3.34Å; V2046-Y2050 PolarHBondContact O-N 2.99Å; L2047-Y2050 PolarHBondContact O-N 2.79Å; F2048-Y2050 VanDerWaalsContact C-N 3.28Å; F2048-Y2050 PolarHBondContact O-N 3.24Å |
| 2051 | A | 66.7 | Low | 68 | Low | 40 Ų | 40 | 106.9 Ų | 106.9 | 33% | 0.331 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -84.5 | -17.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L2047 F2048 P2054 L2055 | L2047-A2051 VanDerWaalsContact O-CB 3.23Å; L2047-A2051 WeakPolarHBondContact O-CB 3.33Å; L2047-A2051 PolarHBondContact O-N 2.64Å; F2048-A2051 PolarHBondContact O-N 3.38Å; A2051-P2054 VanDerWaalsContact O-CD 3.31Å; A2051-P2054 WeakPolarHBondContact O-CD 3.48Å; A2051-P2054 WeakPolarHBondContact O-CG 3.03Å; A2051-L2055 HydrophobicContact CB-CD1 4.49Å; A2051-L2055 PolarHBondContact O-N 3.15Å |
| 2052 | I | 67.1 | Low | 66.4 | Low | 61 Ų | 61 | 106.7 Ų | 106.7 | 31% | 0.313 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -47.1 | -177.1 | -92.3 | 176.4 | 0 | 0 | 0 | 114.5 | F2048 L2055 L2056 | F2048-I2052 HydrophobicContact CD1-CD1 3.8Å; F2048-I2052 HydrophobicContact CE1-CD1 3.31Å; F2048-I2052 HydrophobicContact CE1-CG1 4.24Å; F2048-I2052 HydrophobicContact CE2-CD1 4.44Å; F2048-I2052 HydrophobicContact CZ-CD1 3.68Å; F2048-I2052 HydrophobicContact CZ-CG1 4.27Å; F2048-I2052 WeakPolarHBondContact O-CG1 3.47Å; F2048-I2052 PolarHBondContact O-N 3.47Å; F2048-I2052 VanDerWaalsContact O-N 3.08Å; I2052-L2055 PolarHBondContact O-N 2.84Å; I2052-L2055 VanDerWaalsContact O-N 3.15Å; I2052-L2056 HydrophobicContact CG2-CD1 3.55Å; I2052-L2056 HydrophobicContact CG2-CG 4.3Å; I2052-L2056 PolarHBondContact O-N 3.04Å |
| 2053 | P | 62.6 | Low | 64.4 | Low | 81 Ų | 81 | 113.9 Ų | 113.9 | 53% | 0.526 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57.3 | -45.7 | -175.8 | -22.9 | 31.4 | 0 | 0 | 0 | 114.1 | V2049 A2057 | V2049-P2053 WeakPolarHBondContact O-CD 3.49Å; P2053-A2057 WeakPolarHBondContact O-CB 3.18Å; P2053-A2057 PolarHBondContact O-N 2.72Å |
| 2054 | P | 56.4 | Low | 63.6 | Low | 82 Ų | 82 | 114.4 Ų | 114.4 | 53% | 0.532 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.2 | -30.1 | 176.5 | 24.4 | -30.7 | 0 | 0 | 0 | 113.4 | A2051 R2058 | A2051-P2054 VanDerWaalsContact O-CD 3.31Å; A2051-P2054 WeakPolarHBondContact O-CD 3.48Å; A2051-P2054 WeakPolarHBondContact O-CG 3.03Å; P2054-R2058 PolarHBondContact O-N 3.34Å; P2054-R2058 VanDerWaalsContact O-N 3.16Å |
| 2055 | L | 59.2 | Low | 62.8 | Low | 122 Ų | 122 | 114.9 Ų | 114.9 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.9 | -37 | 175.5 | -93.2 | 157.8 | 0 | 0 | 0 | 112.6 | A2051 I2052 K2059 | A2051-L2055 HydrophobicContact CB-CD1 4.49Å; A2051-L2055 PolarHBondContact O-N 3.15Å; I2052-L2055 PolarHBondContact O-N 2.84Å; I2052-L2055 VanDerWaalsContact O-N 3.15Å; L2055-K2059 PolarHBondContact O-N 3Å |
| 2056 | L | 60.8 | Low | 61.9 | Low | 100 Ų | 100 | 115.7 Ų | 115.7 | 52% | 0.524 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.6 | -39.6 | 173.7 | -80.4 | 169.4 | 0 | 0 | 0 | 111.9 | I2052 R2058 K2059 M2060 | I2052-L2056 HydrophobicContact CG2-CD1 3.55Å; I2052-L2056 HydrophobicContact CG2-CG 4.3Å; I2052-L2056 PolarHBondContact O-N 3.04Å; L2056-R2058 VanDerWaalsContact C-N 3.34Å; L2056-R2058 PolarHBondContact O-N 2.74Å; L2056-K2059 PolarHBondContact O-N 3.3Å; L2056-K2059 VanDerWaalsContact O-N 3.13Å; L2056-M2060 PolarHBondContact O-N 3.36Å |
| 2057 | A | 60.3 | Low | 60.9 | Low | 57 Ų | 57 | 116.6 Ų | 116.6 | 47% | 0.471 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.3 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P2053 K2059 M2060 V2061 | P2053-A2057 WeakPolarHBondContact O-CB 3.18Å; P2053-A2057 PolarHBondContact O-N 2.72Å; A2057-K2059 VanDerWaalsContact C-N 3.29Å; A2057-K2059 PolarHBondContact O-N 3.49Å; A2057-M2060 PolarHBondContact O-N 3.07Å; A2057-V2061 PolarHBondContact O-N 2.98Å; A2057-V2061 VanDerWaalsContact O-N 3.12Å |
| 2058 | R | 57.1 | Low | 60 | Low | 207 Ų | 207 | 118.3 Ų | 118.3 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.7 | -24.2 | 175.5 | -98.7 | -177 | 173.1 | 169.2 | -0.3 | 114.6 | P2054 L2056 | P2054-R2058 PolarHBondContact O-N 3.34Å; P2054-R2058 VanDerWaalsContact O-N 3.16Å; L2056-R2058 VanDerWaalsContact C-N 3.34Å; L2056-R2058 PolarHBondContact O-N 2.74Å |
| 2059 | K | 57.6 | Low | 59.1 | Low | 191 Ų | 191 | 116.9 Ų | 116.9 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -90.2 | -24.9 | 179.5 | -130.9 | -179.1 | -176.9 | -177.7 | 0 | 112.8 | L2055 L2056 A2057 | L2055-K2059 PolarHBondContact O-N 3Å; L2056-K2059 PolarHBondContact O-N 3.3Å; L2056-K2059 VanDerWaalsContact O-N 3.13Å; A2057-K2059 VanDerWaalsContact C-N 3.29Å; A2057-K2059 PolarHBondContact O-N 3.49Å |
| 2060 | M | 55.4 | Low | 58.1 | Low | 166 Ų | 166 | 118.4 Ų | 118.4 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -88.6 | -32 | 178.4 | -73.6 | -167.8 | 77.9 | 0 | 0 | 113.7 | L2056 A2057 | L2056-M2060 PolarHBondContact O-N 3.36Å; A2057-M2060 PolarHBondContact O-N 3.07Å |
| 2061 | V | 53.3 | Low | 57 | Low | 96 Ų | 96 | 113 Ų | 113 | 58% | 0.582 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -102.2 | 102.1 | 172.3 | -169.8 | 0 | 0 | 0 | 0 | 105.9 | A2057 V2063 | A2057-V2061 PolarHBondContact O-N 2.98Å; A2057-V2061 VanDerWaalsContact O-N 3.12Å; V2061-V2063 HydrophobicContact CG1-CB 4.49Å; V2061-V2063 HydrophobicContact CG1-CG2 4.26Å; V2061-V2063 PolarHBondContact O-N 3.45Å |
| 2062 | G | 45.6 | Very low | 56.2 | Low | 83 Ų | 83 | 119.1 Ų | 119.1 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | trans | -69.5 | 54.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 2063 | V | 38.7 | Very low | 55.2 | Low | 183 Ų | 183 | 124.4 Ų | 124.4 | 100% | 1.109 | 70% | 0.697 | S | S | * | * | trans | -129.5 | 0 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | V2061 | V2061-V2063 HydrophobicContact CG1-CB 4.49Å; V2061-V2063 HydrophobicContact CG1-CG2 4.26Å; V2061-V2063 PolarHBondContact O-N 3.45Å |
Retrieved 2,063 of 2,063 residues in 3563 ms
(Link to these results)