| 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 | 40 | Very low | 74.3 | Confident | 242 Ų | 242 | 112.9 Ų | 112.9 | 100% | 1.192 | 58% | 0.582 | S | S | * | * | 0 | 127.1 | 0 | -65.8 | -171 | -169.1 | 0 | 0 | 107.6 | |||||
| 2 | S | 43.4 | Very low | 76.1 | Confident | 109 Ų | 109 | 104 Ų | 104 | 76% | 0.762 | 54% | 0.537 | S | S | * | . | trans | -60.9 | 139.7 | 174.3 | 22.4 | 0 | 0 | 0 | 0 | 110.1 | K4 | S2-K4 PolarHBondContact O-N 3.33Š| ||
| 3 | P | 51.9 | Low | 77.4 | Confident | 86 Ų | 86 | 109.8 Ų | 109.8 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | trans | -59.9 | 131.2 | -179.1 | 22 | -30 | 0 | 0 | 0 | 109.9 | H5 | P3-H5 PolarHBondContact O-N 3.06Š| ||
| 4 | K | 61.4 | Low | 78.4 | Confident | 188 Ų | 188 | 105.4 Ų | 105.4 | 82% | 0.817 | 53% | 0.527 | S | S | * | . | trans | -68.1 | 103.9 | 174.8 | -76.4 | -177.6 | 178.3 | 177.3 | 0 | 108.1 | S2 V6 | S2-K4 PolarHBondContact O-N 3.33Å; K4-V6 PolarHBondContact O-N 3.14Å; K4-V6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | H | 70.9 | Confident | 79.4 | Confident | 124 Ų | 124 | 108.6 Ų | 108.6 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | trans | -69.8 | 110 | 172.6 | -70 | -73.6 | 0 | 0 | 0 | 110.1 | P3 | P3-H5 PolarHBondContact O-N 3.06Š| ||
| 6 | V | 84.9 | Confident | 80.3 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | trans | -77.1 | 135.7 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | K4 F8 | K4-V6 PolarHBondContact O-N 3.14Å; K4-V6 VanDerWaalsContact O-N 3.16Å; V6-F8 HydrophobicContact CG1-CE2 4.45Å; V6-F8 HydrophobicContact CG1-CZ 4.28Å | ||
| 7 | V | 89.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 95.9 Ų | 95.9 | 35% | 0.345 | 47% | 0.474 | S | S | . | . | trans | -125.2 | 127.6 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | Y20 L104 | V7-Y20 HydrophobicContact CG1-CD1 4.18Å; V7-L104 HydrophobicContact CG1-CD1 4.45Å; V7-L104 HydrophobicContact CG1-CD2 4.15Å; V7-L104 HydrophobicContact CG2-CD2 4.33Å | ||
| 8 | F | 91.4 | Very high | 82 | Confident | 78 Ų | 78 | 91.1 Ų | 91.1 | 34% | 0.342 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.1 | 176.4 | -58.3 | -86.5 | 0 | 0 | 0 | 109.5 | V6 Y20 M21 R24 | V6-F8 HydrophobicContact CG1-CE2 4.45Å; V6-F8 HydrophobicContact CG1-CZ 4.28Å; F8-Y20 CarbonylContact O-C 3.51Å; F8-Y20 VanDerWaalsContact O-CA 3.31Å; F8-Y20 WeakPolarHBondContact O-CA 3.4Å; F8-M21 PolarHBondContact N-O 3.49Å; F8-M21 PolarHBondContact O-N 3.06Å; F8-R24 HydrophobicContact CD1-CG 4.34Å; F8-R24 HydrophobicContact CD2-CG 4Å; F8-R24 HydrophobicContact CE2-CG 4.3Å; F8-R24 HydrophobicContact CG-CG 4.03Å |
| 9 | K | 93.9 | Very high | 82.7 | Confident | 117 Ų | 117 | 86.3 Ų | 86.3 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.3 | 175.8 | 177.9 | -172.6 | 177.2 | 165.7 | 0 | 110.3 | V11 V19 Y20 | K9-V11 HydrophobicContact CD-CG2 4.31Å; K9-V11 HydrophobicContact CG-CG2 4.33Å; K9-V19 CarbonylContact C-O 3.57Å; K9-V19 VanDerWaalsContact CA-O 3.29Å; K9-V19 WeakPolarHBondContact CA-O 3.22Å; K9-Y20 HydrophobicContact CB-CD1 3.94Å; K9-Y20 HydrophobicContact CB-CE1 3.91Å; K9-Y20 HydrophobicContact CD-CD1 4.33Å; K9-Y20 HydrophobicContact CD-CE1 3.46Å; K9-Y20 VanDerWaalsContact CD-CE1 3.46Å; K9-Y20 HydrophobicContact CD-CE2 4.44Å; K9-Y20 WeakPolarHBondContact CD-OH 3.21Å; K9-Y20 WeakPolarHBondContact CE-OH 3.36Å; K9-Y20 HydrophobicContact CG-CD1 4.02Å; K9-Y20 HydrophobicContact CG-CE1 3.62Å; K9-Y20 HydrophobicContact CG-CE2 4.29Å; K9-Y20 PolarHBondContact NZ-OH 3.35Å |
| 10 | K | 94.9 | Very high | 83.4 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 39% | 0.391 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 142.6 | 162 | -164.5 | 177.7 | 176.8 | 175.1 | 0 | 110.3 | A18 V19 V164 R165 L166 | K10-A18 CarbonylContact O-C 3.57Å; K10-A18 WeakPolarHBondContact O-CA 3.37Å; K10-V19 PolarHBondContact N-O 3.04Å; K10-V19 PolarHBondContact O-N 3.4Å; K10-V164 HydrophobicContact CB-CG2 3.65Å; K10-V164 HydrophobicContact CD-CG2 3.68Å; K10-V164 HydrophobicContact CG-CG2 3.43Å; K10-V164 VanDerWaalsContact CG-CG2 3.43Å; K10-R165 VanDerWaalsContact CD-O 3.22Å; K10-R165 WeakPolarHBondContact CD-O 3.38Å; K10-R165 WeakPolarHBondContact CE-O 3.48Å; K10-R165 PolarHBondContact NZ-O 2.81Å; K10-L166 HydrophobicContact CB-CD2 3.6Å; K10-L166 HydrophobicContact CB-CG 4.18Å; K10-L166 HydrophobicContact CD-CD2 3.86Å; K10-L166 HydrophobicContact CD-CG 4.38Å; K10-L166 HydrophobicContact CG-CD2 4.39Å |
| 11 | V | 95.5 | Very high | 83.9 | Confident | 59 Ų | 59 | 79.5 Ų | 79.5 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.1 | -176.5 | -168.7 | 0 | 0 | 0 | 0 | 109 | K9 K15 A18 | K9-V11 HydrophobicContact CD-CG2 4.31Å; K9-V11 HydrophobicContact CG-CG2 4.33Å; V11-K15 HydrophobicContact CG1-CB 4.26Å; V11-K15 HydrophobicContact CG1-CG 4.35Å; V11-A18 HydrophobicContact CB-CB 4.39Å; V11-A18 HydrophobicContact CG1-CB 4.27Å; V11-A18 HydrophobicContact CG2-CB 3.95Å |
| 12 | S | 95.3 | Very high | 86.2 | Confident | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | trans | -63.2 | 163.3 | 168.8 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | D14 K15 S16 V17 | S12-D14 VanDerWaalsContact CB-OD1 3.27Å; S12-D14 WeakPolarHBondContact CB-OD1 3.24Å; S12-D14 PolarHBondContact OG-OD1 3.32Å; S12-K15 PolarHBondContact O-N 3.22Å; S12-K15 PolarHBondContact OG-N 3.36Å; S12-S16 PolarHBondContact OG-N 3.43Å; S12-S16 VanDerWaalsContact OG-N 3.12Å; S12-V17 WeakPolarHBondContact CB-O 3.49Å; S12-V17 PolarHBondContact N-O 3.15Å; S12-V17 PolarHBondContact OG-N 2.88Å; S12-V17 VanDerWaalsContact OG-N 3.08Å; S12-V17 PolarHBondContact OG-O 2.97Å | ||
| 13 | R | 93.1 | Very high | 88.5 | Confident | 179 Ų | 179 | 67 Ų | 67 | 68% | 0.675 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -37.9 | -175.2 | -68.2 | 178.2 | 175.6 | -177.1 | -2.6 | 112.1 | K15 Q161 | R13-K15 PolarHBondContact O-N 3.45Å; R13-Q161 PolarHBondContact N-O 3.08Å |
| 14 | D | 92.2 | Very high | 90.3 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.1 | 173.8 | 69.1 | -13.5 | 0 | 0 | 0 | 113.3 | S12 S16 Q161 S162 | S12-D14 VanDerWaalsContact CB-OD1 3.27Å; S12-D14 WeakPolarHBondContact CB-OD1 3.24Å; S12-D14 PolarHBondContact OG-OD1 3.32Å; D14-S16 PolarHBondContact O-N 3.1Å; D14-S16 PolarHBondContact OD1-N 3.14Å; D14-S16 PolarHBondContact OD1-OG 2.8Å; D14-S16 VanDerWaalsContact OD2-CB 3.31Å; D14-S16 WeakPolarHBondContact OD2-CB 3.45Å; D14-S16 PolarHBondContact OD2-OG 3.21Å; D14-Q161 PolarHBondContact N-O 3.05Å; D14-Q161 VanDerWaalsContact OD1-O 3.12Å; D14-S162 VanDerWaalsContact OD2-CA 3.28Å; D14-S162 WeakPolarHBondContact OD2-CA 3.43Å; D14-S162 WeakPolarHBondContact OD2-CB 3.18Å |
| 15 | K | 92.5 | Very high | 91.7 | Very high | 154 Ų | 154 | 57.3 Ų | 57.3 | 67% | 0.67 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 62.8 | 13.2 | -177.8 | -51.3 | 174.4 | -176.8 | 173.4 | 0 | 115 | V11 S12 R13 V17 | V11-K15 HydrophobicContact CG1-CB 4.26Å; V11-K15 HydrophobicContact CG1-CG 4.35Å; S12-K15 PolarHBondContact O-N 3.22Å; S12-K15 PolarHBondContact OG-N 3.36Å; R13-K15 PolarHBondContact O-N 3.45Å; K15-V17 VanDerWaalsContact C-N 3.32Å; K15-V17 PolarHBondContact O-N 3.47Å |
| 16 | S | 93.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -67.5 | -30.4 | 177.1 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | S12 D14 I42 D43 | S12-S16 PolarHBondContact OG-N 3.43Å; S12-S16 VanDerWaalsContact OG-N 3.12Å; D14-S16 PolarHBondContact O-N 3.1Å; D14-S16 PolarHBondContact OD1-N 3.14Å; D14-S16 PolarHBondContact OD1-OG 2.8Å; D14-S16 VanDerWaalsContact OD2-CB 3.31Å; D14-S16 WeakPolarHBondContact OD2-CB 3.45Å; D14-S16 PolarHBondContact OD2-OG 3.21Å; S16-I42 CarbonylContact O-C 3.26Å; S16-I42 WeakPolarHBondContact O-CA 3.44Å; S16-D43 PolarHBondContact O-N 3.22Å |
| 17 | V | 95.4 | Very high | 93 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 136.1 | -175 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | S12 K15 I40 V41 V52 A148 C150 V164 | S12-V17 WeakPolarHBondContact CB-O 3.49Å; S12-V17 PolarHBondContact N-O 3.15Å; S12-V17 PolarHBondContact OG-N 2.88Å; S12-V17 VanDerWaalsContact OG-N 3.08Å; S12-V17 PolarHBondContact OG-O 2.97Å; K15-V17 VanDerWaalsContact C-N 3.32Å; K15-V17 PolarHBondContact O-N 3.47Å; V17-I40 HydrophobicContact CG1-CG2 3.75Å; V17-V41 CarbonylContact C-O 3.58Å; V17-V41 WeakPolarHBondContact CA-O 3.36Å; V17-V52 HydrophobicContact CG1-CG1 4.41Å; V17-V52 HydrophobicContact CG2-CG1 4.23Å; V17-V52 HydrophobicContact CG2-CG2 4.25Å; V17-A148 HydrophobicContact CG1-CB 3.92Å; V17-C150 WeakPolarHBondContact CG2-SG 3.29Å; V17-V164 HydrophobicContact CG1-CG1 4.36Å |
| 18 | A | 96.1 | Very high | 93 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | K10 V11 Y20 I40 V41 | K10-A18 CarbonylContact O-C 3.57Å; K10-A18 WeakPolarHBondContact O-CA 3.37Å; V11-A18 HydrophobicContact CB-CB 4.39Å; V11-A18 HydrophobicContact CG1-CB 4.27Å; V11-A18 HydrophobicContact CG2-CB 3.95Å; A18-Y20 HydrophobicContact CB-CE2 3.87Å; A18-I40 CarbonylContact O-C 3.44Å; A18-I40 VanDerWaalsContact O-CA 3.32Å; A18-I40 WeakPolarHBondContact O-CA 3.32Å; A18-V41 HydrophobicContact CB-CB 4.41Å; A18-V41 PolarHBondContact N-O 2.98Å; A18-V41 PolarHBondContact O-N 2.96Å |
| 19 | V | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.8 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | K9 K10 M21 I40 F115 A148 V164 L166 | K9-V19 CarbonylContact C-O 3.57Å; K9-V19 VanDerWaalsContact CA-O 3.29Å; K9-V19 WeakPolarHBondContact CA-O 3.22Å; K10-V19 PolarHBondContact N-O 3.04Å; K10-V19 PolarHBondContact O-N 3.4Å; V19-M21 HydrophobicContact CG1-CG 3.95Å; V19-M21 HydrophobicContact CG1-SD 4.31Å; V19-I40 HydrophobicContact CB-CD1 4.06Å; V19-I40 HydrophobicContact CG1-CD1 4.18Å; V19-I40 HydrophobicContact CG2-CD1 3.36Å; V19-F115 HydrophobicContact CG1-CE1 3.97Å; V19-F115 HydrophobicContact CG1-CZ 4.02Å; V19-A148 HydrophobicContact CG2-CB 3.55Å; V19-V164 HydrophobicContact CB-CG1 4.32Å; V19-V164 HydrophobicContact CG2-CG1 3.34Å; V19-L166 HydrophobicContact CB-CD1 3.64Å; V19-L166 HydrophobicContact CG1-CD1 3.34Å; V19-L166 HydrophobicContact CG2-CD1 4.41Å |
| 20 | Y | 95.4 | Very high | 92 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.5 | 173.1 | -63.6 | -103 | 0 | 0 | 0 | 110 | V7 F8 K9 A18 G38 V39 V41 L108 | V7-Y20 HydrophobicContact CG1-CD1 4.18Å; F8-Y20 CarbonylContact O-C 3.51Å; F8-Y20 VanDerWaalsContact O-CA 3.31Å; F8-Y20 WeakPolarHBondContact O-CA 3.4Å; K9-Y20 HydrophobicContact CB-CD1 3.94Å; K9-Y20 HydrophobicContact CB-CE1 3.91Å; K9-Y20 HydrophobicContact CD-CD1 4.33Å; K9-Y20 HydrophobicContact CD-CE1 3.46Å; K9-Y20 VanDerWaalsContact CD-CE1 3.46Å; K9-Y20 HydrophobicContact CD-CE2 4.44Å; K9-Y20 WeakPolarHBondContact CD-OH 3.21Å; K9-Y20 WeakPolarHBondContact CE-OH 3.36Å; K9-Y20 HydrophobicContact CG-CD1 4.02Å; K9-Y20 HydrophobicContact CG-CE1 3.62Å; K9-Y20 HydrophobicContact CG-CE2 4.29Å; K9-Y20 PolarHBondContact NZ-OH 3.35Å; A18-Y20 HydrophobicContact CB-CE2 3.87Å; Y20-G38 CarbonylContact O-C 3.57Å; Y20-G38 WeakPolarHBondContact O-CA 2.75Å; Y20-V39 PolarHBondContact N-O 2.9Å; Y20-V39 PolarHBondContact O-N 3.2Å; Y20-V41 HydrophobicContact CD2-CG2 3.99Å; Y20-V41 HydrophobicContact CE2-CB 4.06Å; Y20-V41 HydrophobicContact CE2-CG2 3.48Å; Y20-V41 VanDerWaalsContact CE2-CG2 3.48Å; Y20-L108 HydrophobicContact CD1-CD1 4.22Å; Y20-L108 HydrophobicContact CD2-CD1 3.83Å; Y20-L108 HydrophobicContact CE1-CD1 4.34Å; Y20-L108 HydrophobicContact CE1-CD2 3.87Å; Y20-L108 HydrophobicContact CE2-CD1 3.99Å; Y20-L108 HydrophobicContact CE2-CD2 4.15Å; Y20-L108 HydrophobicContact CG-CD1 3.95Å |
| 21 | M | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 141.4 | 178 | -62.8 | 179.2 | 70.8 | 0 | 0 | 110.3 | F8 V19 F26 V36 F115 V146 L166 I168 | F8-M21 PolarHBondContact N-O 3.49Å; F8-M21 PolarHBondContact O-N 3.06Å; V19-M21 HydrophobicContact CG1-CG 3.95Å; V19-M21 HydrophobicContact CG1-SD 4.31Å; M21-F26 HydrophobicContact CE-CE2 3.87Å; M21-F26 HydrophobicContact CE-CZ 3.57Å; M21-V36 HydrophobicContact CE-CG1 3.56Å; M21-F115 HydrophobicContact CG-CZ 4.17Å; M21-F115 HydrophobicContact SD-CZ 4.45Å; M21-V146 HydrophobicContact CE-CG2 4.08Å; M21-V146 HydrophobicContact SD-CB 4.34Å; M21-V146 HydrophobicContact SD-CG1 4.5Å; M21-V146 HydrophobicContact SD-CG2 4.18Å; M21-L166 HydrophobicContact CG-CD1 4.3Å; M21-L166 HydrophobicContact SD-CD1 3.74Å; M21-I168 HydrophobicContact CE-CG2 3.94Å; M21-I168 HydrophobicContact SD-CG2 4.3Å |
| 22 | A | 90.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 45 Ų | 45 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -73.8 | -33.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I100 | A22-I100 HydrophobicContact CB-CD1 3.72Å; A22-I100 HydrophobicContact CB-CG2 3.95Å |
| 23 | K | 89.9 | Confident | 90.4 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | trans | -140.5 | 162.1 | -177.2 | 62.5 | -172 | -179.8 | -179.3 | 0 | 111.2 | D25 F26 D34 | K23-D25 WeakPolarHBondContact CD-O 3.15Å; K23-F26 HydrophobicContact CD-CD1 4.43Å; K23-F26 HydrophobicContact CD-CE1 4.2Å; K23-F26 VanDerWaalsContact CE-CE1 3.43Å; K23-F26 HydrophobicContact CG-CD1 4.43Å; K23-F26 HydrophobicContact CG-CE1 3.83Å; K23-F26 HydrophobicContact CG-CZ 3.91Å; K23-D34 VanDerWaalsContact NZ-CG 3.27Å; K23-D34 IonicContact NZ-OD2 2.68Å; K23-D34 PolarHBondContact NZ-OD2 3.43Å | ||
| 24 | R | 91.4 | Very high | 90.3 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 13% | 0.125 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -118.6 | -9.8 | 174.6 | -74.2 | -177.8 | 152.8 | -144.6 | -3 | 113.4 | F8 I168 R169 L293 | F8-R24 HydrophobicContact CD1-CG 4.34Å; F8-R24 HydrophobicContact CD2-CG 4Å; F8-R24 HydrophobicContact CE2-CG 4.3Å; F8-R24 HydrophobicContact CG-CG 4.03Å; R24-I168 CarbonylContact O-C 3.54Å; R24-I168 VanDerWaalsContact O-CA 3.27Å; R24-I168 WeakPolarHBondContact O-CA 3.35Å; R24-I168 WeakPolarHBondContact O-CB 3.42Å; R24-R169 PolarHBondContact O-N 3.14Å; R24-L293 HydrophobicContact CB-CD1 3.77Å |
| 25 | D | 91.1 | Very high | 90.3 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.1 | 174.6 | -63.5 | -22.8 | 0 | 0 | 0 | 108.1 | K23 R169 I171 L293 | K23-D25 WeakPolarHBondContact CD-O 3.15Å; D25-R169 CarbonylContact C-O 3.56Å; D25-R169 WeakPolarHBondContact CA-O 3.26Å; D25-R169 VanDerWaalsContact CG-NH2 3.3Å; D25-R169 WeakPolarHBondContact OD1-CB 3.37Å; D25-R169 IonicContact OD1-CZ 2.74Å; D25-R169 IonicContact OD1-NE 2.68Å; D25-R169 PolarHBondContact OD1-NE 3.29Å; D25-R169 IonicContact OD1-NH2 3.67Å; D25-R169 PolarHBondContact OD1-NH2 3.03Å; D25-R169 VanDerWaalsContact OD1-NH2 3.16Å; D25-R169 IonicContact OD2-CZ 2.77Å; D25-R169 IonicContact OD2-NE 3.36Å; D25-R169 IonicContact OD2-NH2 2.92Å; D25-R169 PolarHBondContact OD2-NH2 3.31Å; D25-I171 HydrophobicContact CB-CD1 3.91Å; D25-I171 HydrophobicContact CB-CG1 4.36Å; D25-L293 WeakPolarHBondContact OD1-CD1 3.02Å |
| 26 | F | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.7 | -179.7 | -65.5 | -87.6 | 0 | 0 | 0 | 107.5 | M21 K23 D34 P35 V36 F119 I168 R169 K170 I171 | M21-F26 HydrophobicContact CE-CE2 3.87Å; M21-F26 HydrophobicContact CE-CZ 3.57Å; K23-F26 HydrophobicContact CD-CD1 4.43Å; K23-F26 HydrophobicContact CD-CE1 4.2Å; K23-F26 VanDerWaalsContact CE-CE1 3.43Å; K23-F26 HydrophobicContact CG-CD1 4.43Å; K23-F26 HydrophobicContact CG-CE1 3.83Å; K23-F26 HydrophobicContact CG-CZ 3.91Å; F26-D34 HydrophobicContact CB-CB 4.24Å; F26-D34 HydrophobicContact CD1-CB 4.15Å; F26-D34 WeakPolarHBondContact CD1-O 3.46Å; F26-P35 VanDerWaalsContact CD1-O 3.28Å; F26-P35 WeakPolarHBondContact CD1-O 3.31Å; F26-P35 WeakPolarHBondContact CE1-O 3.34Å; F26-V36 HydrophobicContact CD1-CG2 4.16Å; F26-V36 HydrophobicContact CD2-CG2 4.31Å; F26-V36 VanDerWaalsContact CE1-CA 3.49Å; F26-V36 HydrophobicContact CE1-CB 4.18Å; F26-V36 HydrophobicContact CE1-CG1 4.33Å; F26-V36 HydrophobicContact CE1-CG2 4.14Å; F26-V36 HydrophobicContact CE2-CG1 4.29Å; F26-V36 HydrophobicContact CE2-CG2 4.25Å; F26-V36 HydrophobicContact CG-CG2 4.26Å; F26-V36 HydrophobicContact CZ-CB 4.21Å; F26-V36 HydrophobicContact CZ-CG1 3.87Å; F26-V36 HydrophobicContact CZ-CG2 4.17Å; F26-F119 HydrophobicContact CB-CE2 3.8Å; F26-F119 HydrophobicContact CB-CZ 4.3Å; F26-F119 HydrophobicContact CD1-CE2 4.45Å; F26-F119 HydrophobicContact CG-CE2 4.06Å; F26-F119 HydrophobicContact CG-CZ 4.43Å; F26-I168 HydrophobicContact CD2-CB 4.17Å; F26-I168 HydrophobicContact CD2-CD1 3.86Å; F26-I168 HydrophobicContact CE2-CB 3.94Å; F26-I168 HydrophobicContact CE2-CD1 3.78Å; F26-I168 HydrophobicContact CE2-CG1 4.46Å; F26-I168 HydrophobicContact CE2-CG2 3.99Å; F26-R169 PolarHBondContact N-O 3.06Å; F26-K170 WeakPolarHBondContact O-CA 3.38Å; F26-I171 PolarHBondContact O-N 2.66Å |
| 27 | V | 90.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128.9 | -172.5 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | H29 V33 D34 I171 F173 | V27-H29 VanDerWaalsContact CG1-CE1 3.47Å; V27-H29 WeakPolarHBondContact CG1-CE1 3.5Å; V27-H29 PolarHBondContact O-CD2 3.29Å; V27-V33 WeakPolarHBondContact O-CA 3.46Å; V27-D34 PolarHBondContact N-OD2 3.03Å; V27-D34 PolarHBondContact O-N 2.94Å; V27-I171 CarbonylContact C-O 3.56Å; V27-I171 WeakPolarHBondContact CA-O 3.44Å; V27-I171 HydrophobicContact CG2-CD1 4.19Å; V27-I171 HydrophobicContact CG2-CG1 4.15Å; V27-F173 HydrophobicContact CB-CD2 4.28Å; V27-F173 HydrophobicContact CB-CE2 4.2Å; V27-F173 HydrophobicContact CG1-CB 4.35Å; V27-F173 HydrophobicContact CG1-CD2 3.33Å; V27-F173 HydrophobicContact CG1-CE2 3.73Å; V27-F173 HydrophobicContact CG1-CG 3.92Å; V27-F173 HydrophobicContact CG2-CD2 3.92Å; V27-F173 HydrophobicContact CG2-CE2 3.35Å; V27-F173 HydrophobicContact CG2-CZ 3.85Å |
| 28 | D | 89.6 | Confident | 90.1 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 114.9 | 164.3 | -175.7 | -22.5 | 0 | 0 | 0 | 108.5 | S30 V33 K170 I171 Q172 | D28-S30 VanDerWaalsContact C-N 3.32Å; D28-S30 WeakPolarHBondContact OD1-CA 3.41Å; D28-S30 PolarHBondContact OD1-N 3.27Å; D28-V33 HydrophobicContact CB-CG1 4.42Å; D28-V33 HydrophobicContact CB-CG2 4.16Å; D28-K170 WeakPolarHBondContact OD2-CE 3.39Å; D28-K170 IonicContact OD2-NZ 2.73Å; D28-K170 PolarHBondContact OD2-NZ 2.97Å; D28-I171 PolarHBondContact N-O 2.83Å; D28-Q172 HydrophobicContact CB-CB 4.45Å; D28-Q172 HydrophobicContact CB-CG 4.31Å |
| 29 | H | 84.7 | Confident | 90 | Very high | 58 Ų | 58 | 31.2 Ų | 31.2 | 27% | 0.269 | 16% | 0.161 | S | C | . | . | trans | -94.8 | 16.4 | -179.8 | -56.8 | -85.1 | 0 | 0 | 0 | 112.4 | V27 D31 F32 D34 | V27-H29 VanDerWaalsContact CG1-CE1 3.47Å; V27-H29 WeakPolarHBondContact CG1-CE1 3.5Å; V27-H29 PolarHBondContact O-CD2 3.29Å; H29-D31 PolarHBondContact O-N 3.16Å; H29-F32 HydrophobicContact CB-CD1 4.41Å; H29-F32 HydrophobicContact CB-CE1 4.2Å; H29-F32 HydrophobicContact CB-CZ 4.42Å; H29-F32 WeakPolarHBondContact CB-O 3.21Å; H29-F32 AromaticContact CD2-CD2 3.95Å; H29-F32 AromaticContact CD2-CE2 3.4Å; H29-F32 WeakPolarHBondContact CD2-CE2 3.14Å; H29-F32 AromaticContact CD2-CZ 3.48Å; H29-F32 VanDerWaalsContact CD2-CZ 3.48Å; H29-F32 WeakPolarHBondContact CD2-CZ 3.09Å; H29-F32 AromaticContact CG-CZ 3.99Å; H29-F32 PolarHBondContact N-O 3.14Å; H29-F32 AromaticContact NE2-CE2 3.86Å; H29-F32 AromaticContact NE2-CZ 3.94Å; H29-D34 IonicContact CD2-OD1 3.64Å; H29-D34 IonicContact NE2-OD1 3.67Å; H29-D34 PolarHBondContact NE2-OD1 2.78Å | ||
| 30 | S | 78.4 | Confident | 89.9 | Confident | 30 Ų | 30 | 31.2 Ų | 31.2 | 21% | 0.21 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 67.3 | -40.8 | -170.4 | -52.7 | 0 | 0 | 0 | 0 | 114.4 | D28 K307 | D28-S30 VanDerWaalsContact C-N 3.32Å; D28-S30 WeakPolarHBondContact OD1-CA 3.41Å; D28-S30 PolarHBondContact OD1-N 3.27Å; S30-K307 WeakPolarHBondContact O-CE 3.43Å |
| 31 | D | 80.6 | Confident | 89.9 | Confident | 129 Ų | 129 | 31.2 Ų | 31.2 | 69% | 0.69 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -82.1 | -46.4 | 177.6 | -65.7 | -33.2 | 0 | 0 | 0 | 112.1 | H29 K307 | H29-D31 PolarHBondContact O-N 3.16Å; D31-K307 PolarHBondContact O-NZ 2.92Å; D31-K307 VanDerWaalsContact O-NZ 3.11Å |
| 32 | F | 84.4 | Confident | 90.1 | Very high | 117 Ų | 117 | 31.5 Ų | 31.5 | 51% | 0.513 | 17% | 0.166 | S | C | . | . | trans | -141 | 162.2 | 177.8 | 71.6 | -85.6 | 0 | 0 | 0 | 110.4 | H29 | H29-F32 HydrophobicContact CB-CD1 4.41Å; H29-F32 HydrophobicContact CB-CE1 4.2Å; H29-F32 HydrophobicContact CB-CZ 4.42Å; H29-F32 WeakPolarHBondContact CB-O 3.21Å; H29-F32 AromaticContact CD2-CD2 3.95Å; H29-F32 AromaticContact CD2-CE2 3.4Å; H29-F32 WeakPolarHBondContact CD2-CE2 3.14Å; H29-F32 AromaticContact CD2-CZ 3.48Å; H29-F32 VanDerWaalsContact CD2-CZ 3.48Å; H29-F32 WeakPolarHBondContact CD2-CZ 3.09Å; H29-F32 AromaticContact CG-CZ 3.99Å; H29-F32 PolarHBondContact N-O 3.14Å; H29-F32 AromaticContact NE2-CE2 3.86Å; H29-F32 AromaticContact NE2-CZ 3.94Å | ||
| 33 | V | 88.9 | Confident | 90.3 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -111.5 | 137.2 | 173.8 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | V27 D28 P35 F119 K170 | V27-V33 WeakPolarHBondContact O-CA 3.46Å; D28-V33 HydrophobicContact CB-CG1 4.42Å; D28-V33 HydrophobicContact CB-CG2 4.16Å; V33-P35 WeakPolarHBondContact O-CD 3.43Å; V33-P35 VanDerWaalsContact O-N 3.15Å; V33-F119 HydrophobicContact CB-CB 3.99Å; V33-F119 HydrophobicContact CB-CD2 3.99Å; V33-F119 HydrophobicContact CB-CG 4.39Å; V33-F119 HydrophobicContact CG1-CB 4.08Å; V33-F119 HydrophobicContact CG1-CD2 3.35Å; V33-F119 HydrophobicContact CG1-CE2 4Å; V33-F119 HydrophobicContact CG1-CG 3.95Å; V33-F119 HydrophobicContact CG2-CB 4.16Å; V33-K170 HydrophobicContact CG1-CD 4.44Å; V33-K170 HydrophobicContact CG1-CG 4.45Å |
| 34 | D | 90.1 | Very high | 90.3 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 16% | 0.16 | 18% | 0.175 | C | C | . | . | trans | -50 | 121.6 | 169.9 | -79.4 | -2.4 | 0 | 0 | 0 | 109.8 | K23 F26 V27 H29 F119 | K23-D34 VanDerWaalsContact NZ-CG 3.27Å; K23-D34 IonicContact NZ-OD2 2.68Å; K23-D34 PolarHBondContact NZ-OD2 3.43Å; F26-D34 HydrophobicContact CB-CB 4.24Å; F26-D34 HydrophobicContact CD1-CB 4.15Å; F26-D34 WeakPolarHBondContact CD1-O 3.46Å; V27-D34 PolarHBondContact N-OD2 3.03Å; V27-D34 PolarHBondContact O-N 2.94Å; H29-D34 IonicContact CD2-OD1 3.64Å; H29-D34 IonicContact NE2-OD1 3.67Å; H29-D34 PolarHBondContact NE2-OD1 2.78Å; D34-F119 WeakPolarHBondContact O-CE2 3.28Å | ||
| 35 | P | 91.3 | Very high | 90.2 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | trans | -71.8 | 154.1 | -177.6 | 29.1 | -35.2 | 0 | 0 | 0 | 111.3 | F26 V33 D37 F116 F117 | F26-P35 VanDerWaalsContact CD1-O 3.28Å; F26-P35 WeakPolarHBondContact CD1-O 3.31Å; F26-P35 WeakPolarHBondContact CE1-O 3.34Å; V33-P35 WeakPolarHBondContact O-CD 3.43Å; V33-P35 VanDerWaalsContact O-N 3.15Å; P35-D37 PolarHBondContact O-N 3.2Å; P35-F116 HydrophobicContact CB-CD2 4.04Å; P35-F116 HydrophobicContact CB-CE1 4.4Å; P35-F116 HydrophobicContact CB-CE2 3.18Å; P35-F116 HydrophobicContact CB-CZ 3.39Å; P35-F116 HydrophobicContact CG-CD2 4.43Å; P35-F116 HydrophobicContact CG-CE2 3.4Å; P35-F116 HydrophobicContact CG-CZ 3.83Å; P35-F117 CarbonylContact C-O 3.57Å; P35-F117 WeakPolarHBondContact CA-O 3.44Å; P35-F117 WeakPolarHBondContact CB-O 3.29Å | ||
| 36 | V | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 106.4 | 175.4 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | M21 F26 L56 F115 F116 F117 F119 V146 I168 | M21-V36 HydrophobicContact CE-CG1 3.56Å; F26-V36 HydrophobicContact CD1-CG2 4.16Å; F26-V36 HydrophobicContact CD2-CG2 4.31Å; F26-V36 VanDerWaalsContact CE1-CA 3.49Å; F26-V36 HydrophobicContact CE1-CB 4.18Å; F26-V36 HydrophobicContact CE1-CG1 4.33Å; F26-V36 HydrophobicContact CE1-CG2 4.14Å; F26-V36 HydrophobicContact CE2-CG1 4.29Å; F26-V36 HydrophobicContact CE2-CG2 4.25Å; F26-V36 HydrophobicContact CG-CG2 4.26Å; F26-V36 HydrophobicContact CZ-CB 4.21Å; F26-V36 HydrophobicContact CZ-CG1 3.87Å; F26-V36 HydrophobicContact CZ-CG2 4.17Å; V36-L56 HydrophobicContact CG2-CD1 4.34Å; V36-L56 HydrophobicContact CG2-CD2 4.11Å; V36-F115 HydrophobicContact CG1-CE2 4.28Å; V36-F116 CarbonylContact O-C 3.58Å; V36-F116 VanDerWaalsContact O-CA 3.26Å; V36-F116 WeakPolarHBondContact O-CA 3.36Å; V36-F117 HydrophobicContact CB-CB 4.22Å; V36-F117 PolarHBondContact N-O 2.77Å; V36-F117 PolarHBondContact O-N 2.97Å; V36-F119 HydrophobicContact CG2-CD2 4.28Å; V36-F119 HydrophobicContact CG2-CE1 4.2Å; V36-F119 HydrophobicContact CG2-CE2 3.3Å; V36-F119 HydrophobicContact CG2-CZ 3.25Å; V36-V146 HydrophobicContact CG1-CG2 3.72Å; V36-I168 HydrophobicContact CG1-CD1 4.22Å; V36-I168 HydrophobicContact CG2-CD1 3.81Å |
| 37 | D | 91.4 | Very high | 89.9 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 147.8 | 177 | 74.7 | -37.1 | 0 | 0 | 0 | 112.3 | P35 T98 F116 | P35-D37 PolarHBondContact O-N 3.2Å; D37-T98 HydrophobicContact CB-CG2 4.35Å; D37-T98 WeakPolarHBondContact OD2-CG2 3.28Å; D37-T98 PolarHBondContact OD2-OG1 3.12Å; D37-F116 HydrophobicContact CB-CD2 4.29Å |
| 38 | G | 93 | Very high | 89.7 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172 | -174.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y20 Q101 F115 | Y20-G38 CarbonylContact O-C 3.57Å; Y20-G38 WeakPolarHBondContact O-CA 2.75Å; G38-Q101 PolarHBondContact O-NE2 3.21Å; G38-Q101 VanDerWaalsContact O-NE2 3.1Å; G38-F115 VanDerWaalsContact C-CD1 3.44Å; G38-F115 VanDerWaalsContact CA-CE1 3.42Å; G38-F115 PolarHBondContact N-O 2.83Å; G38-F115 VanDerWaalsContact N-O 3.11Å; G38-F115 WeakPolarHBondContact O-CD1 3.43Å; G38-F115 PolarHBondContact O-N 3.44Å |
| 39 | V | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.7 | 177.8 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | Y20 Q101 L104 L105 L108 A112 Y113 | Y20-V39 PolarHBondContact N-O 2.9Å; Y20-V39 PolarHBondContact O-N 3.2Å; V39-Q101 HydrophobicContact CG2-CB 4.45Å; V39-Q101 HydrophobicContact CG2-CG 4.25Å; V39-L104 HydrophobicContact CB-CB 4.38Å; V39-L104 HydrophobicContact CG2-CB 3.78Å; V39-L104 HydrophobicContact CG2-CD1 4.1Å; V39-L105 HydrophobicContact CG1-CD2 3.91Å; V39-L105 HydrophobicContact CG2-CD2 4.22Å; V39-L105 HydrophobicContact CG2-CG 4.25Å; V39-L108 HydrophobicContact CB-CD1 4.42Å; V39-L108 HydrophobicContact CG1-CD1 3.93Å; V39-A112 HydrophobicContact CG1-CB 3.83Å; V39-Y113 CarbonylContact C-O 3.58Å; V39-Y113 WeakPolarHBondContact CA-O 3.2Å |
| 40 | I | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.8 | 168.9 | -59.9 | -56.5 | 0 | 0 | 0 | 108.9 | V17 A18 V19 I42 V52 V54 V85 A112 Y113 F115 A148 | V17-I40 HydrophobicContact CG1-CG2 3.75Å; A18-I40 CarbonylContact O-C 3.44Å; A18-I40 VanDerWaalsContact O-CA 3.32Å; A18-I40 WeakPolarHBondContact O-CA 3.32Å; V19-I40 HydrophobicContact CB-CD1 4.06Å; V19-I40 HydrophobicContact CG1-CD1 4.18Å; V19-I40 HydrophobicContact CG2-CD1 3.36Å; I40-I42 HydrophobicContact CG2-CG2 3.86Å; I40-V52 HydrophobicContact CG2-CG1 4.22Å; I40-V54 HydrophobicContact CD1-CG2 3.72Å; I40-V54 HydrophobicContact CG1-CG2 3.61Å; I40-V85 HydrophobicContact CB-CG1 4.29Å; I40-V85 HydrophobicContact CG1-CG1 4.21Å; I40-A112 CarbonylContact O-C 3.5Å; I40-A112 VanDerWaalsContact O-CA 3.26Å; I40-A112 WeakPolarHBondContact O-CA 3.48Å; I40-Y113 PolarHBondContact N-O 2.79Å; I40-Y113 PolarHBondContact O-N 3.1Å; I40-F115 HydrophobicContact CD1-CD1 3.98Å; I40-F115 HydrophobicContact CD1-CE1 3.87Å; I40-F115 HydrophobicContact CG1-CD1 3.81Å; I40-F115 HydrophobicContact CG1-CE1 4.21Å; I40-A148 HydrophobicContact CD1-CB 3.71Å |
| 41 | V | 95.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 53 Ų | 53 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.9 | 165.2 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | V17 A18 Y20 L108 N111 A112 | V17-V41 CarbonylContact C-O 3.58Å; V17-V41 WeakPolarHBondContact CA-O 3.36Å; A18-V41 HydrophobicContact CB-CB 4.41Å; A18-V41 PolarHBondContact N-O 2.98Å; A18-V41 PolarHBondContact O-N 2.96Å; Y20-V41 HydrophobicContact CD2-CG2 3.99Å; Y20-V41 HydrophobicContact CE2-CB 4.06Å; Y20-V41 HydrophobicContact CE2-CG2 3.48Å; Y20-V41 VanDerWaalsContact CE2-CG2 3.48Å; V41-L108 HydrophobicContact CG2-CB 3.87Å; V41-L108 HydrophobicContact CG2-CD1 3.71Å; V41-L108 HydrophobicContact CG2-CD2 4.23Å; V41-L108 HydrophobicContact CG2-CG 4.14Å; V41-N111 WeakPolarHBondContact CA-O 3.43Å; V41-A112 HydrophobicContact CG2-CB 4.15Å |
| 42 | I | 95.7 | Very high | 91.3 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151.8 | 178.2 | 70.3 | 178.6 | 0 | 0 | 0 | 110.8 | S16 I40 L47 V52 Y86 N111 Y113 | S16-I42 CarbonylContact O-C 3.26Å; S16-I42 WeakPolarHBondContact O-CA 3.44Å; I40-I42 HydrophobicContact CG2-CG2 3.86Å; I42-L47 HydrophobicContact CD1-CD2 3.93Å; I42-V52 HydrophobicContact CG2-CG2 3.85Å; I42-Y86 HydrophobicContact CD1-CD1 4.07Å; I42-Y86 HydrophobicContact CD1-CD2 3.55Å; I42-Y86 HydrophobicContact CD1-CE1 4.22Å; I42-Y86 HydrophobicContact CD1-CE2 3.71Å; I42-Y86 HydrophobicContact CD1-CG 3.72Å; I42-N111 HydrophobicContact CG1-CB 4.01Å; I42-N111 PolarHBondContact N-O 2.86Å; I42-N111 WeakPolarHBondContact O-CB 3.37Å; I42-Y113 HydrophobicContact CD1-CD2 4.14Å; I42-Y113 HydrophobicContact CD1-CE2 3.39Å; I42-Y113 HydrophobicContact CG1-CD2 4.26Å; I42-Y113 HydrophobicContact CG1-CE2 3.73Å; I42-Y113 HydrophobicContact CG2-CD2 4.35Å |
| 43 | D | 94.3 | Very high | 91.8 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | trans | -101.9 | 106.2 | 163.1 | -177.9 | -26.2 | 0 | 0 | 0 | 108.6 | S16 V45 Q46 L47 | S16-D43 PolarHBondContact O-N 3.22Å; D43-V45 PolarHBondContact O-N 2.9Å; D43-V45 WeakPolarHBondContact OD1-CB 3.28Å; D43-V45 PolarHBondContact OD1-N 2.73Å; D43-Q46 HydrophobicContact CB-CB 4.11Å; D43-Q46 HydrophobicContact CB-CG 4.13Å; D43-Q46 PolarHBondContact O-N 2.86Å; D43-Q46 PolarHBondContact OD1-N 3.49Å; D43-Q46 WeakPolarHBondContact OD2-CG 3.47Å; D43-L47 VanDerWaalsContact O-CB 3.28Å; D43-L47 WeakPolarHBondContact O-CB 3.28Å; D43-L47 PolarHBondContact O-N 2.89Å | ||
| 44 | P | 90.4 | Very high | 92.1 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.6 | -30.5 | -178 | -25 | 34.4 | 0 | 0 | 0 | 113.9 | K48 N111 | P44-K48 PolarHBondContact O-N 2.8Å; P44-N111 WeakPolarHBondContact CG-OD1 3.25Å |
| 45 | V | 90.6 | Very high | 92.4 | Very high | 117 Ų | 117 | 40.6 Ų | 40.6 | 71% | 0.709 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -71.4 | -44.5 | -179 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | D43 K48 | D43-V45 PolarHBondContact O-N 2.9Å; D43-V45 WeakPolarHBondContact OD1-CB 3.28Å; D43-V45 PolarHBondContact OD1-N 2.73Å; V45-K48 WeakPolarHBondContact O-CG 3.14Å |
| 46 | Q | 88.6 | Confident | 92.6 | Very high | 92 Ų | 92 | 38.6 Ų | 38.6 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.5 | -31 | 177.2 | -63.8 | -66.1 | -10.1 | 0 | 0 | 112.3 | D43 K48 | D43-Q46 HydrophobicContact CB-CB 4.11Å; D43-Q46 HydrophobicContact CB-CG 4.13Å; D43-Q46 PolarHBondContact O-N 2.86Å; D43-Q46 PolarHBondContact OD1-N 3.49Å; D43-Q46 WeakPolarHBondContact OD2-CG 3.47Å; Q46-K48 VanDerWaalsContact C-N 3.28Å; Q46-K48 PolarHBondContact O-N 2.96Å |
| 47 | L | 86.9 | Confident | 92.8 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -27 | -177.2 | -169.7 | 65.4 | 0 | 0 | 0 | 112.9 | I42 D43 G49 K50 V52 Y86 C150 | I42-L47 HydrophobicContact CD1-CD2 3.93Å; D43-L47 VanDerWaalsContact O-CB 3.28Å; D43-L47 WeakPolarHBondContact O-CB 3.28Å; D43-L47 PolarHBondContact O-N 2.89Å; L47-G49 PolarHBondContact O-N 3.47Å; L47-G49 VanDerWaalsContact O-N 3.14Å; L47-K50 HydrophobicContact CD1-CB 4.02Å; L47-K50 VanDerWaalsContact CD2-O 3.31Å; L47-K50 WeakPolarHBondContact CD2-O 3.33Å; L47-K50 HydrophobicContact CG-CB 4.3Å; L47-K50 VanDerWaalsContact CG-O 3.3Å; L47-K50 WeakPolarHBondContact CG-O 3.34Å; L47-K50 VanDerWaalsContact O-CB 3.25Å; L47-K50 WeakPolarHBondContact O-CB 3.46Å; L47-K50 WeakPolarHBondContact O-CG 3.31Å; L47-K50 PolarHBondContact O-N 3.33Å; L47-V52 HydrophobicContact CD1-CG2 3.51Å; L47-V52 HydrophobicContact CD2-CG2 3.96Å; L47-V52 HydrophobicContact CG-CG2 4.42Å; L47-Y86 HydrophobicContact CD2-CD1 3.45Å; L47-Y86 VanDerWaalsContact CD2-CD1 3.45Å; L47-Y86 HydrophobicContact CD2-CE1 3.41Å; L47-Y86 VanDerWaalsContact CD2-CE1 3.41Å; L47-Y86 HydrophobicContact CD2-CG 4.39Å; L47-C150 HydrophobicContact CD1-CB 4.03Å; L47-C150 WeakPolarHBondContact CD1-SG 3.3Å |
| 48 | K | 87.4 | Confident | 93 | Very high | 171 Ų | 171 | 37.9 Ų | 37.9 | 74% | 0.743 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.4 | 174.8 | -61.5 | 178.7 | -177.9 | -179.5 | 0 | 113.6 | P44 V45 Q46 K50 | P44-K48 PolarHBondContact O-N 2.8Å; V45-K48 WeakPolarHBondContact O-CG 3.14Å; Q46-K48 VanDerWaalsContact C-N 3.28Å; Q46-K48 PolarHBondContact O-N 2.96Å; K48-K50 VanDerWaalsContact C-N 3.27Å; K48-K50 PolarHBondContact O-N 2.94Å |
| 49 | G | 85.3 | Confident | 93.1 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 75% | 0.753 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 3.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L47 | L47-G49 PolarHBondContact O-N 3.47Å; L47-G49 VanDerWaalsContact O-N 3.14Å |
| 50 | K | 91.8 | Very high | 93 | Very high | 85 Ų | 85 | 38.2 Ų | 38.2 | 37% | 0.37 | 21% | 0.21 | S | C | . | . | trans | -68.6 | 161.5 | 173.3 | -64.6 | -175.6 | 177.8 | -167 | 0 | 111.7 | L47 K48 C150 | L47-K50 HydrophobicContact CD1-CB 4.02Å; L47-K50 VanDerWaalsContact CD2-O 3.31Å; L47-K50 WeakPolarHBondContact CD2-O 3.33Å; L47-K50 HydrophobicContact CG-CB 4.3Å; L47-K50 VanDerWaalsContact CG-O 3.3Å; L47-K50 WeakPolarHBondContact CG-O 3.34Å; L47-K50 VanDerWaalsContact O-CB 3.25Å; L47-K50 WeakPolarHBondContact O-CB 3.46Å; L47-K50 WeakPolarHBondContact O-CG 3.31Å; L47-K50 PolarHBondContact O-N 3.33Å; K48-K50 VanDerWaalsContact C-N 3.27Å; K48-K50 PolarHBondContact O-N 2.94Å; K50-C150 HydrophobicContact CB-CB 4.45Å; K50-C150 HydrophobicContact CD-CB 4.39Å | ||
| 51 | K | 94.1 | Very high | 92.7 | Very high | 67 Ų | 67 | 39.6 Ų | 39.6 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 155 | 173.6 | -56.9 | 173.4 | -173 | 155.1 | 0 | 109.7 | Y53 Y86 C150 G151 E152 | K51-Y53 HydrophobicContact CB-CD2 4.49Å; K51-Y53 HydrophobicContact CB-CE2 3.72Å; K51-Y53 HydrophobicContact CD-CE2 4.5Å; K51-Y53 WeakPolarHBondContact CD-OH 3.48Å; K51-Y86 CarbonylContact C-O 3.58Å; K51-Y86 WeakPolarHBondContact CA-O 3.23Å; K51-Y86 WeakPolarHBondContact CB-O 3.36Å; K51-C150 VanDerWaalsContact O-CA 3.27Å; K51-C150 WeakPolarHBondContact O-CA 3.33Å; K51-G151 WeakPolarHBondContact CB-O 3.25Å; K51-G151 PolarHBondContact N-O 2.82Å; K51-G151 PolarHBondContact O-N 3.23Å; K51-E152 WeakPolarHBondContact CD-O 3.4Å; K51-E152 WeakPolarHBondContact CE-O 3.48Å; K51-E152 PolarHBondContact NZ-O 2.9Å |
| 52 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.2 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | V17 I40 I42 L47 V85 Y86 F149 | V17-V52 HydrophobicContact CG1-CG1 4.41Å; V17-V52 HydrophobicContact CG2-CG1 4.23Å; V17-V52 HydrophobicContact CG2-CG2 4.25Å; I40-V52 HydrophobicContact CG2-CG1 4.22Å; I42-V52 HydrophobicContact CG2-CG2 3.85Å; L47-V52 HydrophobicContact CD1-CG2 3.51Å; L47-V52 HydrophobicContact CD2-CG2 3.96Å; L47-V52 HydrophobicContact CG-CG2 4.42Å; V52-V85 PolarHBondContact O-N 2.79Å; V52-Y86 PolarHBondContact N-O 3.39Å; V52-Y86 PolarHBondContact O-N 2.95Å; V52-Y86 VanDerWaalsContact O-N 3.15Å; V52-F149 WeakPolarHBondContact CA-O 3.37Å |
| 53 | Y | 95.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 148.4 | 177.6 | -60.9 | -83.3 | 0 | 0 | 0 | 110 | K51 T82 R83 Q84 A148 F149 Q154 | K51-Y53 HydrophobicContact CB-CD2 4.49Å; K51-Y53 HydrophobicContact CB-CE2 3.72Å; K51-Y53 HydrophobicContact CD-CE2 4.5Å; K51-Y53 WeakPolarHBondContact CD-OH 3.48Å; Y53-T82 HydrophobicContact CD1-CG2 4.11Å; Y53-T82 HydrophobicContact CG-CG2 4.34Å; Y53-R83 CarbonylContact C-O 3.56Å; Y53-R83 WeakPolarHBondContact CA-O 3.41Å; Y53-Q84 HydrophobicContact CD1-CB 3.82Å; Y53-Q84 HydrophobicContact CD1-CG 4.18Å; Y53-Q84 HydrophobicContact CE1-CB 3.64Å; Y53-Q84 HydrophobicContact CE1-CG 3.81Å; Y53-Q84 PolarHBondContact OH-OE1 2.83Å; Y53-A148 CarbonylContact O-C 3.59Å; Y53-A148 VanDerWaalsContact O-CA 3.29Å; Y53-A148 WeakPolarHBondContact O-CA 3.16Å; Y53-F149 HydrophobicContact CD2-CD2 4.35Å; Y53-F149 AromaticContact CD2-CE2 3.83Å; Y53-F149 HydrophobicContact CD2-CE2 3.83Å; Y53-F149 HydrophobicContact CD2-CZ 4.33Å; Y53-F149 HydrophobicContact CG-CE2 4.13Å; Y53-F149 HydrophobicContact CG-CZ 4.16Å; Y53-F149 PolarHBondContact N-O 3.27Å; Y53-F149 PolarHBondContact O-N 3.43Å; Y53-Q154 HydrophobicContact CD1-CB 4Å; Y53-Q154 HydrophobicContact CE1-CB 3.76Å |
| 54 | V | 95.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.8 | 166.7 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | I40 T82 R83 V85 F115 F117 V146 K147 A148 | I40-V54 HydrophobicContact CD1-CG2 3.72Å; I40-V54 HydrophobicContact CG1-CG2 3.61Å; V54-T82 CarbonylContact O-C 3.46Å; V54-T82 WeakPolarHBondContact O-CA 3.4Å; V54-R83 PolarHBondContact N-O 3.15Å; V54-R83 PolarHBondContact O-N 2.71Å; V54-V85 HydrophobicContact CB-CG2 4.1Å; V54-V85 HydrophobicContact CG2-CB 4.37Å; V54-V85 HydrophobicContact CG2-CG2 3.52Å; V54-F115 HydrophobicContact CG1-CD2 4.02Å; V54-F115 HydrophobicContact CG1-CE2 4.22Å; V54-F115 HydrophobicContact CG1-CG 4.23Å; V54-F115 HydrophobicContact CG2-CB 4.41Å; V54-F115 HydrophobicContact CG2-CD1 4.4Å; V54-F115 HydrophobicContact CG2-CG 4.34Å; V54-F117 HydrophobicContact CB-CE2 4.17Å; V54-F117 HydrophobicContact CB-CZ 4.04Å; V54-F117 HydrophobicContact CG1-CE2 3.6Å; V54-F117 HydrophobicContact CG1-CZ 3.9Å; V54-F117 WeakPolarHBondContact O-CZ 3.4Å; V54-V146 HydrophobicContact CG1-CG1 3.74Å; V54-K147 CarbonylContact C-O 3.54Å; V54-K147 WeakPolarHBondContact CA-O 3.48Å; V54-A148 HydrophobicContact CG2-CB 4.02Å |
| 55 | M | 95.5 | Very high | 88.8 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 11% | 0.113 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129 | -179.4 | -179.5 | -178.7 | 71 | 0 | 0 | 109.1 | I80 V81 V146 K147 F149 | M55-I80 HydrophobicContact CG-CG2 3.89Å; M55-I80 HydrophobicContact SD-CG2 3.79Å; M55-V81 CarbonylContact C-O 3.49Å; M55-V81 VanDerWaalsContact CA-O 3.28Å; M55-V81 WeakPolarHBondContact CA-O 3.45Å; M55-V146 CarbonylContact O-C 3.51Å; M55-V146 WeakPolarHBondContact O-CA 3.03Å; M55-K147 HydrophobicContact CE-CB 4.01Å; M55-K147 HydrophobicContact CE-CD 3.87Å; M55-K147 PolarHBondContact N-O 2.85Å; M55-K147 PolarHBondContact O-N 2.81Å; M55-F149 HydrophobicContact CB-CE1 4.15Å |
| 56 | L | 96.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.7 | 164.4 | 173.9 | 63.6 | 0 | 0 | 0 | 107.8 | V36 F79 I80 V81 F117 F119 E145 V146 I168 | V36-L56 HydrophobicContact CG2-CD1 4.34Å; V36-L56 HydrophobicContact CG2-CD2 4.11Å; L56-F79 HydrophobicContact CD2-CE1 4.01Å; L56-F79 HydrophobicContact CG-CE1 4.14Å; L56-I80 WeakPolarHBondContact O-CA 3.26Å; L56-V81 HydrophobicContact CB-CG1 3.86Å; L56-V81 PolarHBondContact N-O 2.79Å; L56-V81 PolarHBondContact O-N 2.84Å; L56-F117 HydrophobicContact CB-CB 4.31Å; L56-F117 HydrophobicContact CB-CD1 4Å; L56-F117 HydrophobicContact CB-CD2 4.03Å; L56-F117 HydrophobicContact CB-CE1 4.29Å; L56-F117 HydrophobicContact CB-CE2 4.35Å; L56-F117 HydrophobicContact CB-CG 3.85Å; L56-F117 HydrophobicContact CB-CZ 4.48Å; L56-F117 HydrophobicContact CD2-CB 3.55Å; L56-F117 HydrophobicContact CD2-CG 4.04Å; L56-F119 HydrophobicContact CD1-CE1 4.26Å; L56-F119 HydrophobicContact CD2-CD1 4.22Å; L56-F119 HydrophobicContact CD2-CE1 3.93Å; L56-F119 HydrophobicContact CD2-CZ 4.4Å; L56-E145 WeakPolarHBondContact CA-O 2.94Å; L56-V146 HydrophobicContact CD1-CG2 4.28Å; L56-I168 HydrophobicContact CD1-CD1 3.91Å |
| 57 | S | 95.6 | Very high | 85.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.9 | 178.4 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | F79 F144 E145 | S57-F79 CarbonylContact C-O 3.47Å; S57-F79 VanDerWaalsContact CA-O 3.24Å; S57-F79 WeakPolarHBondContact CA-O 3.33Å; S57-F144 WeakPolarHBondContact O-CA 3.35Å; S57-E145 PolarHBondContact N-O 2.93Å; S57-E145 PolarHBondContact O-N 2.95Å |
| 58 | C | 96.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.7 | 163.1 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | L78 F79 L123 E143 F144 | C58-L78 HydrophobicContact CB-CB 4.29Å; C58-L78 PolarHBondContact O-N 2.92Å; C58-F79 HydrophobicContact CB-CB 3.89Å; C58-F79 PolarHBondContact N-O 2.85Å; C58-F79 PolarHBondContact O-N 3.23Å; C58-L123 HydrophobicContact CB-CD1 4.37Å; C58-E143 CarbonylContact C-O 3.6Å; C58-E143 WeakPolarHBondContact CA-O 3.38Å; C58-F144 HydrophobicContact CB-CD1 3.82Å; C58-F144 HydrophobicContact CB-CE1 3.54Å; C58-F144 HydrophobicContact CB-CZ 3.99Å; C58-F144 WeakPolarHBondContact SG-CZ 3.39Å |
| 59 | T | 94.5 | Very high | 81.4 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.6 | -176.6 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | R61 R75 R76 D77 E143 | T59-R61 HydrophobicContact CG2-CG 3.83Å; T59-R75 HydrophobicContact CG2-CG 3.41Å; T59-R75 VanDerWaalsContact CG2-CG 3.41Å; T59-R76 CarbonylContact C-O 3.54Å; T59-R76 WeakPolarHBondContact CA-O 3.45Å; T59-R76 WeakPolarHBondContact CG2-O 3.34Å; T59-D77 VanDerWaalsContact CG2-OD1 3.3Å; T59-D77 WeakPolarHBondContact CG2-OD1 3.2Å; T59-D77 PolarHBondContact OG1-OD1 2.9Å; T59-E143 PolarHBondContact N-O 2.98Å; T59-E143 PolarHBondContact O-N 3.49Å |
| 60 | F | 92.9 | Very high | 79.7 | Confident | 7 Ų | 7 | 62 Ų | 62 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.4 | 162.2 | -171 | -80.6 | 0 | 0 | 0 | 109.6 | F74 R75 R76 L78 A141 V142 V241 L243 M317 | F60-F74 AromaticContact CD1-CD1 3.89Å; F60-F74 HydrophobicContact CD1-CD1 3.89Å; F60-F74 AromaticContact CD1-CE1 3.76Å; F60-F74 HydrophobicContact CD1-CE1 3.76Å; F60-F74 HydrophobicContact CE1-CD1 4.17Å; F60-F74 HydrophobicContact CE1-CE1 4.26Å; F60-R75 WeakPolarHBondContact O-CA 3.38Å; F60-R76 PolarHBondContact N-O 3.38Å; F60-R76 PolarHBondContact O-N 3.47Å; F60-L78 HydrophobicContact CB-CD1 4.14Å; F60-L78 HydrophobicContact CB-CD2 4.27Å; F60-L78 HydrophobicContact CB-CG 4.21Å; F60-A141 CarbonylContact C-O 3.6Å; F60-A141 WeakPolarHBondContact CA-O 2.79Å; F60-V142 HydrophobicContact CD2-CG2 3.79Å; F60-V142 HydrophobicContact CE2-CG2 4.39Å; F60-V241 HydrophobicContact CE2-CG1 4Å; F60-V241 HydrophobicContact CZ-CG1 3.94Å; F60-L243 HydrophobicContact CB-CD2 4.22Å; F60-L243 HydrophobicContact CD1-CD1 3.5Å; F60-L243 HydrophobicContact CD2-CD1 3.72Å; F60-L243 HydrophobicContact CD2-CD2 4.19Å; F60-L243 HydrophobicContact CD2-CG 4.28Å; F60-L243 HydrophobicContact CE1-CD1 3.4Å; F60-L243 VanDerWaalsContact CE1-CD1 3.4Å; F60-L243 HydrophobicContact CE2-CD1 3.63Å; F60-L243 HydrophobicContact CE2-CG 4.37Å; F60-L243 HydrophobicContact CG-CD1 3.65Å; F60-L243 HydrophobicContact CG-CD2 4.12Å; F60-L243 HydrophobicContact CG-CG 4.43Å; F60-L243 HydrophobicContact CZ-CD1 3.47Å; F60-L243 VanDerWaalsContact CZ-CD1 3.47Å; F60-M317 HydrophobicContact CD2-CE 4.38Å; F60-M317 HydrophobicContact CE2-CE 3.41Å; F60-M317 VanDerWaalsContact CE2-CE 3.41Å; F60-M317 HydrophobicContact CE2-CG 3.91Å; F60-M317 HydrophobicContact CZ-CE 3.67Å |
| 61 | R | 89.4 | Confident | 77.9 | Confident | 30 Ų | 30 | 60 Ų | 60 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.2 | 176.3 | -66.6 | -172.2 | 176.5 | 146.6 | -0.2 | 110.5 | T59 F74 R75 C140 A141 E143 | T59-R61 HydrophobicContact CG2-CG 3.83Å; R61-F74 CarbonylContact C-O 3.56Å; R61-F74 WeakPolarHBondContact CA-O 3.18Å; R61-R75 HydrophobicContact CG-CG 4.36Å; R61-C140 CarbonylContact O-C 3.5Å; R61-C140 WeakPolarHBondContact O-CA 3.28Å; R61-A141 PolarHBondContact N-O 3.37Å; R61-A141 PolarHBondContact O-N 2.68Å; R61-E143 IonicContact CZ-OE2 3.32Å; R61-E143 IonicContact NE-OE2 2.72Å; R61-E143 IonicContact NH1-OE2 2.81Å; R61-E143 PolarHBondContact NH1-OE2 2.91Å |
| 62 | Y | 85.2 | Confident | 76.2 | Confident | 119 Ų | 119 | 61.9 Ų | 61.9 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142 | 170.5 | 173.9 | -97.1 | 0 | 0 | 0 | 109.5 | A73 F74 K139 C140 | Y62-A73 CarbonylContact O-C 3.58Å; Y62-A73 WeakPolarHBondContact O-CA 3.48Å; Y62-F74 HydrophobicContact CD1-CB 4.39Å; Y62-F74 PolarHBondContact N-O 2.71Å; Y62-F74 PolarHBondContact O-N 3.11Å; Y62-K139 CarbonylContact C-O 3.59Å; Y62-K139 VanDerWaalsContact C-O 3.26Å; Y62-K139 WeakPolarHBondContact CA-O 3.48Å; Y62-C140 HydrophobicContact CD2-CB 3.86Å |
| 63 | G | 76.8 | Confident | 74.7 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.6 | -165.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K138 K139 | G63-K138 WeakPolarHBondContact O-CA 3.38Å; G63-K139 PolarHBondContact N-O 2.82Å; G63-K139 PolarHBondContact O-N 2.86Å |
| 64 | R | 71.4 | Confident | 73.9 | Confident | 122 Ų | 122 | 65.3 Ų | 65.3 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 144.8 | -176.6 | -71.1 | -170.5 | 167.5 | 168.3 | -1.3 | 111.2 | D66 M67 A73 V136 G137 K138 | R64-D66 PolarHBondContact O-N 2.92Å; R64-M67 HydrophobicContact CB-CB 4.45Å; R64-M67 HydrophobicContact CB-CG 4.28Å; R64-A73 WeakPolarHBondContact O-CB 3.43Å; R64-V136 PolarHBondContact NE-O 3.01Å; R64-V136 VanDerWaalsContact NE-O 3.08Å; R64-V136 PolarHBondContact NH2-O 2.72Å; R64-G137 WeakPolarHBondContact CA-O 3.37Å; R64-K138 HydrophobicContact CG-CG 3.9Å |
| 65 | Q | 60.5 | Low | 73.5 | Confident | 126 Ų | 126 | 71.6 Ų | 71.6 | 59% | 0.589 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.2 | 179 | -73.9 | -172.1 | -2.8 | 0 | 0 | 114.1 | ||
| 66 | D | 59.6 | Low | 73.3 | Confident | 155 Ų | 155 | 72.9 Ų | 72.9 | 83% | 0.829 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 7.6 | -169.9 | -54.4 | -37.8 | 0 | 0 | 0 | 114.1 | R64 | R64-D66 PolarHBondContact O-N 2.92Š|
| 67 | M | 49.9 | Very low | 73.1 | Confident | 87 Ų | 87 | 76 Ų | 76 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | trans | -124.1 | 88.9 | -172.8 | -70.3 | -70.9 | -64.7 | 0 | 0 | 111.4 | R64 A73 | R64-M67 HydrophobicContact CB-CB 4.45Å; R64-M67 HydrophobicContact CB-CG 4.28Å; M67-A73 WeakPolarHBondContact O-CB 3.48Å; M67-A73 PolarHBondContact O-N 3.38Å | ||
| 68 | D | 47.2 | Very low | 73 | Confident | 139 Ų | 139 | 77.4 Ų | 77.4 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | trans | -94.3 | 134.2 | 166.1 | -83.2 | -20.6 | 0 | 0 | 0 | 111.4 | ||||
| 69 | V | 42.2 | Very low | 73 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 79% | 0.788 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 57.1 | 111.6 | 176.5 | -166.4 | 0 | 0 | 0 | 0 | 116.5 | ||
| 70 | M | 49.8 | Very low | 73 | Confident | 188 Ų | 188 | 83.2 Ų | 83.2 | 93% | 0.926 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 83.8 | 39 | -179.3 | -52.1 | -153.8 | -163.4 | 0 | 0 | 118 | ||
| 71 | G | 53.5 | Low | 73.1 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 46% | 0.464 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 158.9 | 69.6 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 72 | V | 58.4 | Low | 73.3 | Confident | 105 Ų | 105 | 85.1 Ų | 85.1 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | cis | -149.2 | 86.3 | -15.2 | 176.5 | 0 | 0 | 0 | 0 | 101.8 | ||||
| 73 | A | 63.7 | Low | 73.6 | Confident | 26 Ų | 26 | 83.7 Ų | 83.7 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | trans | -81.1 | 127.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y62 R64 M67 | Y62-A73 CarbonylContact O-C 3.58Å; Y62-A73 WeakPolarHBondContact O-CA 3.48Å; R64-A73 WeakPolarHBondContact O-CB 3.43Å; M67-A73 WeakPolarHBondContact O-CB 3.48Å; M67-A73 PolarHBondContact O-N 3.38Å | ||
| 74 | F | 77.9 | Confident | 74.4 | Confident | 56 Ų | 56 | 85 Ų | 85 | 25% | 0.246 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.3 | 175.3 | 171.5 | -99.7 | 0 | 0 | 0 | 108.1 | F60 R61 Y62 R76 L243 Y244 | F60-F74 AromaticContact CD1-CD1 3.89Å; F60-F74 HydrophobicContact CD1-CD1 3.89Å; F60-F74 AromaticContact CD1-CE1 3.76Å; F60-F74 HydrophobicContact CD1-CE1 3.76Å; F60-F74 HydrophobicContact CE1-CD1 4.17Å; F60-F74 HydrophobicContact CE1-CE1 4.26Å; R61-F74 CarbonylContact C-O 3.56Å; R61-F74 WeakPolarHBondContact CA-O 3.18Å; Y62-F74 HydrophobicContact CD1-CB 4.39Å; Y62-F74 PolarHBondContact N-O 2.71Å; Y62-F74 PolarHBondContact O-N 3.11Å; F74-R76 HydrophobicContact CE1-CB 3.76Å; F74-R76 HydrophobicContact CE2-CB 4.23Å; F74-R76 HydrophobicContact CZ-CB 3.41Å; F74-R76 VanDerWaalsContact CZ-CB 3.41Å; F74-R76 HydrophobicContact CZ-CG 4.31Å; F74-L243 HydrophobicContact CE1-CD1 4.08Å; F74-Y244 AromaticContact CE2-CE2 3.59Å; F74-Y244 HydrophobicContact CE2-CE2 3.59Å; F74-Y244 HydrophobicContact CZ-CD2 4.26Å; F74-Y244 AromaticContact CZ-CE2 3.44Å; F74-Y244 HydrophobicContact CZ-CE2 3.44Å; F74-Y244 VanDerWaalsContact CZ-CE2 3.44Å |
| 75 | R | 86.9 | Confident | 75.3 | Confident | 133 Ų | 133 | 79.7 Ų | 79.7 | 50% | 0.502 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 123.7 | 175.8 | -178.3 | -175.7 | 168.7 | -171 | -9.7 | 107.9 | T59 F60 R61 D77 | T59-R75 HydrophobicContact CG2-CG 3.41Å; T59-R75 VanDerWaalsContact CG2-CG 3.41Å; F60-R75 WeakPolarHBondContact O-CA 3.38Å; R61-R75 HydrophobicContact CG-CG 4.36Å; R75-D77 IonicContact CZ-OD1 3.94Å; R75-D77 IonicContact NE-OD1 3.66Å; R75-D77 PolarHBondContact NE-OD1 2.93Å; R75-D77 IonicContact NH2-OD1 3.02Å; R75-D77 PolarHBondContact NH2-OD1 3.36Å; R75-D77 VanDerWaalsContact NH2-OD1 3.11Å; R75-D77 IonicContact NH2-OD2 2.72Å |
| 76 | R | 90.6 | Very high | 76.8 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.9 | 172.7 | 178.4 | 170.3 | 176.5 | 178 | -3.9 | 109.3 | T59 F60 F74 L78 L243 | T59-R76 CarbonylContact C-O 3.54Å; T59-R76 WeakPolarHBondContact CA-O 3.45Å; T59-R76 WeakPolarHBondContact CG2-O 3.34Å; F60-R76 PolarHBondContact N-O 3.38Å; F60-R76 PolarHBondContact O-N 3.47Å; F74-R76 HydrophobicContact CE1-CB 3.76Å; F74-R76 HydrophobicContact CE2-CB 4.23Å; F74-R76 HydrophobicContact CZ-CB 3.41Å; F74-R76 VanDerWaalsContact CZ-CB 3.41Å; F74-R76 HydrophobicContact CZ-CG 4.31Å; R76-L78 HydrophobicContact CG-CD2 4.33Å; R76-L78 PolarHBondContact O-N 3.14Å; R76-L243 PolarHBondContact NH1-O 2.86Å |
| 77 | D | 92.8 | Very high | 78.3 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 116.5 | 173.4 | -60.5 | -44.2 | 0 | 0 | 0 | 107.7 | T59 R75 I80 | T59-D77 VanDerWaalsContact CG2-OD1 3.3Å; T59-D77 WeakPolarHBondContact CG2-OD1 3.2Å; T59-D77 PolarHBondContact OG1-OD1 2.9Å; R75-D77 IonicContact CZ-OD1 3.94Å; R75-D77 IonicContact NE-OD1 3.66Å; R75-D77 PolarHBondContact NE-OD1 2.93Å; R75-D77 IonicContact NH2-OD1 3.02Å; R75-D77 PolarHBondContact NH2-OD1 3.36Å; R75-D77 VanDerWaalsContact NH2-OD1 3.11Å; R75-D77 IonicContact NH2-OD2 2.72Å; D77-I80 HydrophobicContact CB-CD1 3.52Å; D77-I80 HydrophobicContact CB-CG1 3.86Å |
| 78 | L | 94.1 | Very high | 79.9 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 15% | 0.152 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -30.2 | 179.2 | -57.5 | 178.5 | 0 | 0 | 0 | 110.6 | C58 F60 R76 P124 V142 L243 Q315 | C58-L78 HydrophobicContact CB-CB 4.29Å; C58-L78 PolarHBondContact O-N 2.92Å; F60-L78 HydrophobicContact CB-CD1 4.14Å; F60-L78 HydrophobicContact CB-CD2 4.27Å; F60-L78 HydrophobicContact CB-CG 4.21Å; R76-L78 HydrophobicContact CG-CD2 4.33Å; R76-L78 PolarHBondContact O-N 3.14Å; L78-P124 HydrophobicContact CD1-CG 4.18Å; L78-V142 HydrophobicContact CD1-CG1 4.4Å; L78-L243 HydrophobicContact CD2-CD2 3.86Å; L78-Q315 WeakPolarHBondContact CD1-O 3.27Å; L78-Q315 HydrophobicContact CD2-CB 3.76Å |
| 79 | F | 95.5 | Very high | 81.2 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 18% | 0.18 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 136.3 | 177.5 | 174.1 | -108.5 | 0 | 0 | 0 | 109.8 | L56 S57 C58 V81 P120 L123 | L56-F79 HydrophobicContact CD2-CE1 4.01Å; L56-F79 HydrophobicContact CG-CE1 4.14Å; S57-F79 CarbonylContact C-O 3.47Å; S57-F79 VanDerWaalsContact CA-O 3.24Å; S57-F79 WeakPolarHBondContact CA-O 3.33Å; C58-F79 HydrophobicContact CB-CB 3.89Å; C58-F79 PolarHBondContact N-O 2.85Å; C58-F79 PolarHBondContact O-N 3.23Å; F79-V81 HydrophobicContact CE1-CB 4.19Å; F79-V81 HydrophobicContact CE1-CG1 3.51Å; F79-V81 HydrophobicContact CE2-CB 4.34Å; F79-V81 HydrophobicContact CE2-CG1 4.45Å; F79-V81 HydrophobicContact CZ-CB 3.74Å; F79-V81 HydrophobicContact CZ-CG1 3.42Å; F79-V81 VanDerWaalsContact CZ-CG1 3.42Å; F79-P120 HydrophobicContact CD2-CG 3.79Å; F79-P120 HydrophobicContact CE2-CG 3.41Å; F79-P120 VanDerWaalsContact CE2-CG 3.41Å; F79-P120 HydrophobicContact CZ-CG 3.81Å; F79-L123 HydrophobicContact CB-CD1 3.79Å; F79-L123 HydrophobicContact CB-CD2 3.69Å; F79-L123 HydrophobicContact CB-CG 4.42Å; F79-L123 HydrophobicContact CD1-CD1 3.75Å; F79-L123 HydrophobicContact CD2-CD1 4.44Å; F79-L123 HydrophobicContact CE1-CD1 4.4Å; F79-L123 HydrophobicContact CG-CD1 3.76Å; F79-L123 HydrophobicContact CG-CD2 4.3Å |
| 80 | I | 95.2 | Very high | 82.1 | Confident | 82 Ų | 82 | 69.4 Ų | 69.4 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 129.9 | 169.9 | -64.6 | 174 | 0 | 0 | 0 | 107.4 | M55 L56 D77 | M55-I80 HydrophobicContact CG-CG2 3.89Å; M55-I80 HydrophobicContact SD-CG2 3.79Å; L56-I80 WeakPolarHBondContact O-CA 3.26Å; D77-I80 HydrophobicContact CB-CD1 3.52Å; D77-I80 HydrophobicContact CB-CG1 3.86Å |
| 81 | V | 94.3 | Very high | 82.2 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.1 | 166 | 62 | 0 | 0 | 0 | 0 | 108.8 | M55 L56 F79 F117 | M55-V81 CarbonylContact C-O 3.49Å; M55-V81 VanDerWaalsContact CA-O 3.28Å; M55-V81 WeakPolarHBondContact CA-O 3.45Å; L56-V81 HydrophobicContact CB-CG1 3.86Å; L56-V81 PolarHBondContact N-O 2.79Å; L56-V81 PolarHBondContact O-N 2.84Å; F79-V81 HydrophobicContact CE1-CB 4.19Å; F79-V81 HydrophobicContact CE1-CG1 3.51Å; F79-V81 HydrophobicContact CE2-CB 4.34Å; F79-V81 HydrophobicContact CE2-CG1 4.45Å; F79-V81 HydrophobicContact CZ-CB 3.74Å; F79-V81 HydrophobicContact CZ-CG1 3.42Å; F79-V81 VanDerWaalsContact CZ-CG1 3.42Å; V81-F117 HydrophobicContact CG1-CD1 3.48Å; V81-F117 VanDerWaalsContact CG1-CD1 3.48Å; V81-F117 HydrophobicContact CG1-CE1 3.81Å; V81-F117 HydrophobicContact CG1-CG 4.44Å; V81-F117 HydrophobicContact CG2-CD1 4.43Å; V81-F117 HydrophobicContact CG2-CE1 4.42Å |
| 82 | T | 94.3 | Very high | 82.2 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 22% | 0.221 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.9 | 179 | -57.9 | 0 | 0 | 0 | 0 | 109 | Y53 V54 F149 Q154 | Y53-T82 HydrophobicContact CD1-CG2 4.11Å; Y53-T82 HydrophobicContact CG-CG2 4.34Å; V54-T82 CarbonylContact O-C 3.46Å; V54-T82 WeakPolarHBondContact O-CA 3.4Å; T82-F149 HydrophobicContact CG2-CZ 4.27Å; T82-Q154 HydrophobicContact CG2-CB 4.26Å |
| 83 | R | 91.1 | Very high | 81.6 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136 | 176 | -72.1 | -179.2 | 177.1 | -168.8 | -5.3 | 109.5 | Y53 V54 F116 F117 | Y53-R83 CarbonylContact C-O 3.56Å; Y53-R83 WeakPolarHBondContact CA-O 3.41Å; V54-R83 PolarHBondContact N-O 3.15Å; V54-R83 PolarHBondContact O-N 2.71Å; R83-F116 PolarHBondContact NH1-O 3.11Å; R83-F117 HydrophobicContact CB-CE1 4.07Å; R83-F117 HydrophobicContact CB-CZ 4.19Å; R83-F117 HydrophobicContact CG-CD1 4.47Å; R83-F117 HydrophobicContact CG-CE1 3.72Å; R83-F117 HydrophobicContact CG-CZ 4.33Å |
| 84 | Q | 92.9 | Very high | 81 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 19% | 0.187 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.6 | 168.7 | -170.4 | 176.2 | -57.8 | 0 | 0 | 109 | Y53 P87 L89 | Y53-Q84 HydrophobicContact CD1-CB 3.82Å; Y53-Q84 HydrophobicContact CD1-CG 4.18Å; Y53-Q84 HydrophobicContact CE1-CB 3.64Å; Y53-Q84 HydrophobicContact CE1-CG 3.81Å; Y53-Q84 PolarHBondContact OH-OE1 2.83Å; Q84-P87 PolarHBondContact NE2-O 3.4Å; Q84-L89 HydrophobicContact CB-CD1 3.8Å; Q84-L89 HydrophobicContact CB-CG 4.34Å; Q84-L89 HydrophobicContact CG-CD1 4.19Å; Q84-L89 HydrophobicContact CG-CG 4.36Å; Q84-L89 VanDerWaalsContact NE2-CG 3.29Å |
| 85 | V | 91.3 | Very high | 80 | Confident | 10 Ų | 10 | 81.3 Ų | 81.3 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -32.2 | 178.4 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | I40 V52 V54 Y113 F115 | I40-V85 HydrophobicContact CB-CG1 4.29Å; I40-V85 HydrophobicContact CG1-CG1 4.21Å; V52-V85 PolarHBondContact O-N 2.79Å; V54-V85 HydrophobicContact CB-CG2 4.1Å; V54-V85 HydrophobicContact CG2-CB 4.37Å; V54-V85 HydrophobicContact CG2-CG2 3.52Å; V85-Y113 HydrophobicContact CG1-CG 4.28Å; V85-F115 HydrophobicContact CG2-CB 3.93Å |
| 86 | Y | 92.3 | Very high | 78.8 | Confident | 63 Ų | 63 | 81.9 Ų | 81.9 | 25% | 0.247 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.5 | 174.5 | 179.8 | -91 | 0 | 0 | 0 | 111.6 | I42 L47 K51 V52 Y113 | I42-Y86 HydrophobicContact CD1-CD1 4.07Å; I42-Y86 HydrophobicContact CD1-CD2 3.55Å; I42-Y86 HydrophobicContact CD1-CE1 4.22Å; I42-Y86 HydrophobicContact CD1-CE2 3.71Å; I42-Y86 HydrophobicContact CD1-CG 3.72Å; L47-Y86 HydrophobicContact CD2-CD1 3.45Å; L47-Y86 VanDerWaalsContact CD2-CD1 3.45Å; L47-Y86 HydrophobicContact CD2-CE1 3.41Å; L47-Y86 VanDerWaalsContact CD2-CE1 3.41Å; L47-Y86 HydrophobicContact CD2-CG 4.39Å; K51-Y86 CarbonylContact C-O 3.58Å; K51-Y86 WeakPolarHBondContact CA-O 3.23Å; K51-Y86 WeakPolarHBondContact CB-O 3.36Å; V52-Y86 PolarHBondContact N-O 3.39Å; V52-Y86 PolarHBondContact O-N 2.95Å; V52-Y86 VanDerWaalsContact O-N 3.15Å; Y86-Y113 AromaticContact CD2-CE1 3.89Å; Y86-Y113 HydrophobicContact CD2-CE1 3.89Å; Y86-Y113 AromaticContact CD2-CE2 3.89Å; Y86-Y113 HydrophobicContact CD2-CE2 3.89Å; Y86-Y113 AromaticContact CD2-CZ 3.51Å; Y86-Y113 HydrophobicContact CE2-CE2 4.47Å; Y86-Y113 AromaticContact CE2-CZ 3.93Å; Y86-Y113 WeakPolarHBondContact CE2-OH 3.27Å |
| 87 | P | 90.7 | Very high | 78.2 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | S | Bend | cis | -55.8 | 147 | -16.5 | -23.5 | 34.3 | 0 | 0 | 0 | 111.1 | Q84 L89 | Q84-P87 PolarHBondContact NE2-O 3.4Å; P87-L89 PolarHBondContact O-N 3.13Å |
| 88 | E | 83.6 | Confident | 77.7 | Confident | 72 Ų | 72 | 81 Ų | 81 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | trans | -60.9 | 121.7 | 179.9 | -70.8 | 177.2 | 168.6 | 0 | 0 | 109.6 | K92 Y113 | E88-K92 WeakPolarHBondContact OE2-CE 3.31Å; E88-K92 WeakPolarHBondContact OE2-CG 3.46Å; E88-K92 IonicContact OE2-NZ 3.87Å; E88-Y113 HydrophobicContact CG-CD1 3.59Å; E88-Y113 HydrophobicContact CG-CE1 3.86Å; E88-Y113 WeakPolarHBondContact OE1-CD1 3.38Å | ||
| 89 | L | 74.9 | Confident | 77.3 | Confident | 127 Ų | 127 | 88.7 Ų | 88.7 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | trans | -94.8 | -12.7 | 176.8 | -64.7 | -179 | 0 | 0 | 0 | 113 | Q84 P87 | Q84-L89 HydrophobicContact CB-CD1 3.8Å; Q84-L89 HydrophobicContact CB-CG 4.34Å; Q84-L89 HydrophobicContact CG-CD1 4.19Å; Q84-L89 HydrophobicContact CG-CG 4.36Å; Q84-L89 VanDerWaalsContact NE2-CG 3.29Å; P87-L89 PolarHBondContact O-N 3.13Å | ||
| 90 | Q | 59.8 | Low | 76.8 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 47% | 0.467 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -102.3 | 141 | -177.5 | -62.7 | -177.1 | 14.7 | 0 | 0 | 109.6 | K92 | Q90-K92 PolarHBondContact O-N 2.76Å; Q90-K92 VanDerWaalsContact O-N 3.14Å |
| 91 | D | 52.7 | Low | 76.5 | Confident | 115 Ų | 115 | 85.6 Ų | 85.6 | 62% | 0.615 | 42% | 0.415 | S | S | * | . | trans | -55.6 | 120.1 | 166.4 | -77.2 | -42.1 | 0 | 0 | 0 | 108.8 | E93 K94 | D91-E93 PolarHBondContact O-N 3.43Å; D91-K94 PolarHBondContact O-N 2.84Å | ||
| 92 | K | 52.6 | Low | 76.2 | Confident | 146 Ų | 146 | 88.9 Ų | 88.9 | 64% | 0.635 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | -20.7 | 176.9 | -74.6 | -175 | 174.9 | -176.6 | 0 | 113.6 | E88 Q90 | E88-K92 WeakPolarHBondContact OE2-CE 3.31Å; E88-K92 WeakPolarHBondContact OE2-CG 3.46Å; E88-K92 IonicContact OE2-NZ 3.87Å; Q90-K92 PolarHBondContact O-N 2.76Å; Q90-K92 VanDerWaalsContact O-N 3.14Å |
| 93 | E | 46.9 | Very low | 76 | Confident | 187 Ų | 187 | 92.1 Ų | 92.1 | 87% | 0.874 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -19.3 | -175.3 | -59.3 | -173.1 | 163.5 | 0 | 0 | 114.6 | D91 | D91-E93 PolarHBondContact O-N 3.43Š|
| 94 | K | 50.3 | Low | 76 | Confident | 171 Ų | 171 | 88.7 Ų | 88.7 | 74% | 0.743 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -91 | -7.8 | -179.3 | -75.2 | -177.9 | -179.9 | 170.7 | 0 | 114.6 | D91 T96 | D91-K94 PolarHBondContact O-N 2.84Å; K94-T96 PolarHBondContact O-N 3.17Å |
| 95 | L | 57.3 | Low | 76 | Confident | 52 Ų | 52 | 88.4 Ų | 88.4 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | trans | -92.1 | 103 | 179.3 | -74.2 | 162.2 | 0 | 0 | 0 | 109.9 | H97 P114 | L95-H97 VanDerWaalsContact C-N 3.31Å; L95-H97 PolarHBondContact O-N 2.81Å; L95-P114 HydrophobicContact CD1-CG 4.47Å | ||
| 96 | T | 62.5 | Low | 76 | Confident | 144 Ų | 144 | 96.3 Ų | 96.3 | 88% | 0.883 | 46% | 0.462 | S | S | * | . | trans | -69.1 | 92.3 | 168.4 | -22 | 0 | 0 | 0 | 0 | 108.3 | K94 | K94-T96 PolarHBondContact O-N 3.17Š| ||
| 97 | H | 76.3 | Confident | 76 | Confident | 55 Ų | 55 | 101.6 Ų | 101.6 | 26% | 0.255 | 49% | 0.486 | S | S | . | . | trans | -64 | 137.8 | -179.6 | -60.8 | 137.9 | 0 | 0 | 0 | 111.4 | L95 Q101 Q102 | L95-H97 VanDerWaalsContact C-N 3.31Å; L95-H97 PolarHBondContact O-N 2.81Å; H97-Q101 HydrophobicContact CB-CB 4.29Å; H97-Q102 HydrophobicContact CB-CG 3.69Å | ||
| 98 | T | 82.8 | Confident | 76.1 | Confident | 44 Ų | 44 | 101.1 Ų | 101.1 | 27% | 0.27 | 48% | 0.48 | S | S | . | . | trans | -65.2 | 154.1 | 169.6 | 74.7 | 0 | 0 | 0 | 0 | 110.1 | D37 I100 Q101 Q102 | D37-T98 HydrophobicContact CB-CG2 4.35Å; D37-T98 WeakPolarHBondContact OD2-CG2 3.28Å; D37-T98 PolarHBondContact OD2-OG1 3.12Å; T98-I100 PolarHBondContact O-N 3.29Å; T98-I100 VanDerWaalsContact O-N 3.08Å; T98-Q101 WeakPolarHBondContact O-CB 3.16Å; T98-Q101 PolarHBondContact O-N 3.08Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.27Å; T98-Q101 PolarHBondContact OG1-N 3.03Å; T98-Q102 PolarHBondContact O-N 3.27Å | ||
| 99 | R | 85.5 | Confident | 76.5 | Confident | 189 Ų | 189 | 99.2 Ų | 99.2 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.6 | -30.1 | 177.5 | -169.8 | 178.4 | -175.6 | -174.5 | 3.2 | 112.4 | K103 | R99-K103 WeakPolarHBondContact O-CG 3.46Å; R99-K103 PolarHBondContact O-N 3.32Å |
| 100 | I | 85.6 | Confident | 77.3 | Confident | 52 Ų | 52 | 100.7 Ų | 100.7 | 27% | 0.267 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.2 | -42.8 | 177.4 | -62.2 | 174.6 | 0 | 0 | 0 | 110.8 | A22 T98 Q102 K103 L104 | A22-I100 HydrophobicContact CB-CD1 3.72Å; A22-I100 HydrophobicContact CB-CG2 3.95Å; T98-I100 PolarHBondContact O-N 3.29Å; T98-I100 VanDerWaalsContact O-N 3.08Å; I100-Q102 VanDerWaalsContact C-N 3.32Å; I100-Q102 PolarHBondContact O-N 2.57Å; I100-K103 PolarHBondContact O-N 2.84Å; I100-L104 HydrophobicContact CG2-CD1 3.92Å; I100-L104 HydrophobicContact CG2-CG 4.2Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 WeakPolarHBondContact O-CG 3.39Å; I100-L104 PolarHBondContact O-N 3.24Å |
| 101 | Q | 88.4 | Confident | 78.9 | Confident | 7 Ų | 7 | 99.1 Ų | 99.1 | 3% | 0.033 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57 | -45.9 | 173.1 | -76 | 177 | -38.3 | 0 | 0 | 111.4 | G38 V39 H97 T98 K103 L104 L105 F115 | G38-Q101 PolarHBondContact O-NE2 3.21Å; G38-Q101 VanDerWaalsContact O-NE2 3.1Å; V39-Q101 HydrophobicContact CG2-CB 4.45Å; V39-Q101 HydrophobicContact CG2-CG 4.25Å; H97-Q101 HydrophobicContact CB-CB 4.29Å; T98-Q101 WeakPolarHBondContact O-CB 3.16Å; T98-Q101 PolarHBondContact O-N 3.08Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.27Å; T98-Q101 PolarHBondContact OG1-N 3.03Å; Q101-K103 VanDerWaalsContact C-N 3.34Å; Q101-K103 PolarHBondContact O-N 3.25Å; Q101-L104 PolarHBondContact O-N 2.74Å; Q101-L104 VanDerWaalsContact O-N 3.1Å; Q101-L105 WeakPolarHBondContact O-CB 3.43Å; Q101-L105 VanDerWaalsContact O-CG 3.24Å; Q101-L105 WeakPolarHBondContact O-CG 3.29Å; Q101-L105 PolarHBondContact O-N 2.81Å; Q101-F115 PolarHBondContact NE2-O 2.8Å |
| 102 | Q | 88.6 | Confident | 80.9 | Confident | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.514 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.4 | -46.6 | 176.3 | -68.9 | 177.3 | -21.5 | 0 | 0 | 112.3 | H97 T98 I100 L104 H106 | H97-Q102 HydrophobicContact CB-CG 3.69Å; T98-Q102 PolarHBondContact O-N 3.27Å; I100-Q102 VanDerWaalsContact C-N 3.32Å; I100-Q102 PolarHBondContact O-N 2.57Å; Q102-L104 VanDerWaalsContact C-N 3.34Å; Q102-L104 PolarHBondContact O-N 2.76Å; Q102-H106 WeakPolarHBondContact O-CB 3.45Å; Q102-H106 PolarHBondContact O-N 2.91Å |
| 103 | K | 90.6 | Very high | 82.8 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 45% | 0.452 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 176.3 | -73.8 | 177.2 | 179.7 | -177.5 | 0 | 112.3 | R99 I100 Q101 K107 | R99-K103 WeakPolarHBondContact O-CG 3.46Å; R99-K103 PolarHBondContact O-N 3.32Å; I100-K103 PolarHBondContact O-N 2.84Å; Q101-K103 VanDerWaalsContact C-N 3.34Å; Q101-K103 PolarHBondContact O-N 3.25Å; K103-K107 WeakPolarHBondContact O-CB 3.48Å; K103-K107 PolarHBondContact O-N 2.99Å |
| 104 | L | 90.8 | Very high | 85 | Confident | 17 Ų | 17 | 80.6 Ų | 80.6 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.3 | -46.5 | 179.4 | -74.6 | 175.3 | 0 | 0 | 0 | 111.5 | V7 V39 I100 Q101 Q102 H106 K107 L108 | V7-L104 HydrophobicContact CG1-CD1 4.45Å; V7-L104 HydrophobicContact CG1-CD2 4.15Å; V7-L104 HydrophobicContact CG2-CD2 4.33Å; V39-L104 HydrophobicContact CB-CB 4.38Å; V39-L104 HydrophobicContact CG2-CB 3.78Å; V39-L104 HydrophobicContact CG2-CD1 4.1Å; I100-L104 HydrophobicContact CG2-CD1 3.92Å; I100-L104 HydrophobicContact CG2-CG 4.2Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 WeakPolarHBondContact O-CG 3.39Å; I100-L104 PolarHBondContact O-N 3.24Å; Q101-L104 PolarHBondContact O-N 2.74Å; Q101-L104 VanDerWaalsContact O-N 3.1Å; Q102-L104 VanDerWaalsContact C-N 3.34Å; Q102-L104 PolarHBondContact O-N 2.76Å; L104-H106 VanDerWaalsContact C-N 3.33Å; L104-H106 PolarHBondContact O-N 2.95Å; L104-K107 PolarHBondContact O-N 3.47Å; L104-K107 VanDerWaalsContact O-N 3.14Å; L104-L108 HydrophobicContact CB-CD1 4.12Å; L104-L108 HydrophobicContact CD2-CD1 4.31Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 2.89Å |
| 105 | L | 91.9 | Very high | 86.9 | Confident | 34 Ų | 34 | 72.9 Ų | 72.9 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 176.5 | -68.5 | 169.2 | 0 | 0 | 0 | 110.5 | V39 Q101 K107 L108 G109 A112 P114 | V39-L105 HydrophobicContact CG1-CD2 3.91Å; V39-L105 HydrophobicContact CG2-CD2 4.22Å; V39-L105 HydrophobicContact CG2-CG 4.25Å; Q101-L105 WeakPolarHBondContact O-CB 3.43Å; Q101-L105 VanDerWaalsContact O-CG 3.24Å; Q101-L105 WeakPolarHBondContact O-CG 3.29Å; Q101-L105 PolarHBondContact O-N 2.81Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 2.82Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-G109 PolarHBondContact O-N 2.86Å; L105-G109 VanDerWaalsContact O-N 3.14Å; L105-A112 HydrophobicContact CD2-CB 3.97Å; L105-A112 VanDerWaalsContact CD2-O 3.29Å; L105-A112 WeakPolarHBondContact CD2-O 3.33Å; L105-P114 HydrophobicContact CD1-CB 4.37Å; L105-P114 HydrophobicContact CD1-CG 4.39Å |
| 106 | H | 91.3 | Very high | 88.5 | Confident | 175 Ų | 175 | 73 Ų | 73 | 81% | 0.81 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.2 | -38.3 | 176.4 | -174.7 | 68.9 | 0 | 0 | 0 | 113 | Q102 L104 | Q102-H106 WeakPolarHBondContact O-CB 3.45Å; Q102-H106 PolarHBondContact O-N 2.91Å; L104-H106 VanDerWaalsContact C-N 3.33Å; L104-H106 PolarHBondContact O-N 2.95Å |
| 107 | K | 93.6 | Very high | 89.9 | Confident | 175 Ų | 175 | 66.3 Ų | 66.3 | 76% | 0.761 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -78 | -31.3 | -178.6 | -175.8 | 175.5 | -178.9 | 179.5 | 0 | 113.7 | K103 L104 L105 | K103-K107 WeakPolarHBondContact O-CB 3.48Å; K103-K107 PolarHBondContact O-N 2.99Å; L104-K107 PolarHBondContact O-N 3.47Å; L104-K107 VanDerWaalsContact O-N 3.14Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 2.82Å |
| 108 | L | 93.1 | Very high | 90.6 | Very high | 47 Ų | 47 | 70 Ų | 70 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -94 | -15.9 | -171.6 | -64.8 | 170.5 | 0 | 0 | 0 | 112.9 | Y20 V39 V41 L104 L105 A112 | Y20-L108 HydrophobicContact CD1-CD1 4.22Å; Y20-L108 HydrophobicContact CD2-CD1 3.83Å; Y20-L108 HydrophobicContact CE1-CD1 4.34Å; Y20-L108 HydrophobicContact CE1-CD2 3.87Å; Y20-L108 HydrophobicContact CE2-CD1 3.99Å; Y20-L108 HydrophobicContact CE2-CD2 4.15Å; Y20-L108 HydrophobicContact CG-CD1 3.95Å; V39-L108 HydrophobicContact CB-CD1 4.42Å; V39-L108 HydrophobicContact CG1-CD1 3.93Å; V41-L108 HydrophobicContact CG2-CB 3.87Å; V41-L108 HydrophobicContact CG2-CD1 3.71Å; V41-L108 HydrophobicContact CG2-CD2 4.23Å; V41-L108 HydrophobicContact CG2-CG 4.14Å; L104-L108 HydrophobicContact CB-CD1 4.12Å; L104-L108 HydrophobicContact CD2-CD1 4.31Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 2.89Å; L105-L108 PolarHBondContact O-N 2.9Å; L108-A112 HydrophobicContact CB-CB 3.74Å |
| 109 | G | 92.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 68.5 Ų | 68.5 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | trans | 88.5 | -167.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | L105 N111 A112 | L105-G109 PolarHBondContact O-N 2.86Å; L105-G109 VanDerWaalsContact O-N 3.14Å; G109-N111 VanDerWaalsContact C-N 3.27Å; G109-N111 PolarHBondContact O-N 2.82Å; G109-A112 WeakPolarHBondContact O-CB 3.42Å; G109-A112 PolarHBondContact O-N 3.5Å; G109-A112 VanDerWaalsContact O-N 3.15Å | ||
| 110 | D | 91.1 | Very high | 91.4 | Very high | 158 Ų | 158 | 61.4 Ų | 61.4 | 85% | 0.845 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.2 | -164.3 | -57.3 | -33.4 | 0 | 0 | 0 | 114.9 | A112 | D110-A112 PolarHBondContact O-N 2.84Š|
| 111 | N | 93.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 20.9 | 177 | -62.2 | -43.2 | 0 | 0 | 0 | 112.5 | V41 I42 P44 G109 Y113 | V41-N111 WeakPolarHBondContact CA-O 3.43Å; I42-N111 HydrophobicContact CG1-CB 4.01Å; I42-N111 PolarHBondContact N-O 2.86Å; I42-N111 WeakPolarHBondContact O-CB 3.37Å; P44-N111 WeakPolarHBondContact CG-OD1 3.25Å; G109-N111 VanDerWaalsContact C-N 3.27Å; G109-N111 PolarHBondContact O-N 2.82Å; N111-Y113 VanDerWaalsContact C-CE2 3.46Å; N111-Y113 WeakPolarHBondContact O-CD2 3.41Å; N111-Y113 WeakPolarHBondContact O-CE2 3.22Å |
| 112 | A | 94.1 | Very high | 91.5 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V39 I40 V41 L105 L108 G109 D110 | V39-A112 HydrophobicContact CG1-CB 3.83Å; I40-A112 CarbonylContact O-C 3.5Å; I40-A112 VanDerWaalsContact O-CA 3.26Å; I40-A112 WeakPolarHBondContact O-CA 3.48Å; V41-A112 HydrophobicContact CG2-CB 4.15Å; L105-A112 HydrophobicContact CD2-CB 3.97Å; L105-A112 VanDerWaalsContact CD2-O 3.29Å; L105-A112 WeakPolarHBondContact CD2-O 3.33Å; L108-A112 HydrophobicContact CB-CB 3.74Å; G109-A112 WeakPolarHBondContact O-CB 3.42Å; G109-A112 PolarHBondContact O-N 3.5Å; G109-A112 VanDerWaalsContact O-N 3.15Å; D110-A112 PolarHBondContact O-N 2.84Å |
| 113 | Y | 92.9 | Very high | 91.8 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.3 | -171.5 | -61.9 | -86.3 | 0 | 0 | 0 | 110.4 | V39 I40 I42 V85 Y86 E88 N111 | V39-Y113 CarbonylContact C-O 3.58Å; V39-Y113 WeakPolarHBondContact CA-O 3.2Å; I40-Y113 PolarHBondContact N-O 2.79Å; I40-Y113 PolarHBondContact O-N 3.1Å; I42-Y113 HydrophobicContact CD1-CD2 4.14Å; I42-Y113 HydrophobicContact CD1-CE2 3.39Å; I42-Y113 HydrophobicContact CG1-CD2 4.26Å; I42-Y113 HydrophobicContact CG1-CE2 3.73Å; I42-Y113 HydrophobicContact CG2-CD2 4.35Å; V85-Y113 HydrophobicContact CG1-CG 4.28Å; Y86-Y113 AromaticContact CD2-CE1 3.89Å; Y86-Y113 HydrophobicContact CD2-CE1 3.89Å; Y86-Y113 AromaticContact CD2-CE2 3.89Å; Y86-Y113 HydrophobicContact CD2-CE2 3.89Å; Y86-Y113 AromaticContact CD2-CZ 3.51Å; Y86-Y113 HydrophobicContact CE2-CE2 4.47Å; Y86-Y113 AromaticContact CE2-CZ 3.93Å; Y86-Y113 WeakPolarHBondContact CE2-OH 3.27Å; E88-Y113 HydrophobicContact CG-CD1 3.59Å; E88-Y113 HydrophobicContact CG-CE1 3.86Å; E88-Y113 WeakPolarHBondContact OE1-CD1 3.38Å; N111-Y113 VanDerWaalsContact C-CE2 3.46Å; N111-Y113 WeakPolarHBondContact O-CD2 3.41Å; N111-Y113 WeakPolarHBondContact O-CE2 3.22Å |
| 114 | P | 92.4 | Very high | 92 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 13% | 0.13 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 152.1 | -179.9 | 31.8 | -33.5 | 0 | 0 | 0 | 111.3 | L95 L105 | L95-P114 HydrophobicContact CD1-CG 4.47Å; L105-P114 HydrophobicContact CD1-CB 4.37Å; L105-P114 HydrophobicContact CD1-CG 4.39Å |
| 115 | F | 91.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.9 | 165.2 | 71.8 | -90.4 | 0 | 0 | 0 | 110.7 | V19 M21 V36 G38 I40 V54 V85 Q101 F117 V146 | V19-F115 HydrophobicContact CG1-CE1 3.97Å; V19-F115 HydrophobicContact CG1-CZ 4.02Å; M21-F115 HydrophobicContact CG-CZ 4.17Å; M21-F115 HydrophobicContact SD-CZ 4.45Å; V36-F115 HydrophobicContact CG1-CE2 4.28Å; G38-F115 VanDerWaalsContact C-CD1 3.44Å; G38-F115 VanDerWaalsContact CA-CE1 3.42Å; G38-F115 PolarHBondContact N-O 2.83Å; G38-F115 VanDerWaalsContact N-O 3.11Å; G38-F115 WeakPolarHBondContact O-CD1 3.43Å; G38-F115 PolarHBondContact O-N 3.44Å; I40-F115 HydrophobicContact CD1-CD1 3.98Å; I40-F115 HydrophobicContact CD1-CE1 3.87Å; I40-F115 HydrophobicContact CG1-CD1 3.81Å; I40-F115 HydrophobicContact CG1-CE1 4.21Å; V54-F115 HydrophobicContact CG1-CD2 4.02Å; V54-F115 HydrophobicContact CG1-CE2 4.22Å; V54-F115 HydrophobicContact CG1-CG 4.23Å; V54-F115 HydrophobicContact CG2-CB 4.41Å; V54-F115 HydrophobicContact CG2-CD1 4.4Å; V54-F115 HydrophobicContact CG2-CG 4.34Å; V85-F115 HydrophobicContact CG2-CB 3.93Å; Q101-F115 PolarHBondContact NE2-O 2.8Å; F115-F117 AromaticContact CD2-CD2 3.88Å; F115-F117 HydrophobicContact CD2-CD2 3.88Å; F115-F117 AromaticContact CD2-CE2 3.57Å; F115-F117 HydrophobicContact CD2-CE2 3.57Å; F115-F117 HydrophobicContact CE2-CD2 4.33Å; F115-F117 HydrophobicContact CE2-CE2 4.17Å; F115-F117 HydrophobicContact CG-CE2 4.47Å; F115-V146 HydrophobicContact CE2-CG1 4.05Å; F115-V146 HydrophobicContact CZ-CG1 4.07Å |
| 116 | F | 90.2 | Very high | 92.3 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 141.4 | -176.3 | 178.2 | -98.5 | 0 | 0 | 0 | 109.9 | P35 V36 D37 R83 E118 | P35-F116 HydrophobicContact CB-CD2 4.04Å; P35-F116 HydrophobicContact CB-CE1 4.4Å; P35-F116 HydrophobicContact CB-CE2 3.18Å; P35-F116 HydrophobicContact CB-CZ 3.39Å; P35-F116 HydrophobicContact CG-CD2 4.43Å; P35-F116 HydrophobicContact CG-CE2 3.4Å; P35-F116 HydrophobicContact CG-CZ 3.83Å; V36-F116 CarbonylContact O-C 3.58Å; V36-F116 VanDerWaalsContact O-CA 3.26Å; V36-F116 WeakPolarHBondContact O-CA 3.36Å; D37-F116 HydrophobicContact CB-CD2 4.29Å; R83-F116 PolarHBondContact NH1-O 3.11Å; F116-E118 HydrophobicContact CD1-CG 4.49Å; F116-E118 HydrophobicContact CE1-CG 3.47Å; F116-E118 VanDerWaalsContact CE1-CG 3.47Å; F116-E118 WeakPolarHBondContact CE1-OE1 3.18Å; F116-E118 HydrophobicContact CZ-CG 3.77Å |
| 117 | F | 92.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142.7 | 170.8 | -59.7 | -85 | 0 | 0 | 0 | 111 | P35 V36 V54 L56 V81 R83 F115 | P35-F117 CarbonylContact C-O 3.57Å; P35-F117 WeakPolarHBondContact CA-O 3.44Å; P35-F117 WeakPolarHBondContact CB-O 3.29Å; V36-F117 HydrophobicContact CB-CB 4.22Å; V36-F117 PolarHBondContact N-O 2.77Å; V36-F117 PolarHBondContact O-N 2.97Å; V54-F117 HydrophobicContact CB-CE2 4.17Å; V54-F117 HydrophobicContact CB-CZ 4.04Å; V54-F117 HydrophobicContact CG1-CE2 3.6Å; V54-F117 HydrophobicContact CG1-CZ 3.9Å; V54-F117 WeakPolarHBondContact O-CZ 3.4Å; L56-F117 HydrophobicContact CB-CB 4.31Å; L56-F117 HydrophobicContact CB-CD1 4Å; L56-F117 HydrophobicContact CB-CD2 4.03Å; L56-F117 HydrophobicContact CB-CE1 4.29Å; L56-F117 HydrophobicContact CB-CE2 4.35Å; L56-F117 HydrophobicContact CB-CG 3.85Å; L56-F117 HydrophobicContact CB-CZ 4.48Å; L56-F117 HydrophobicContact CD2-CB 3.55Å; L56-F117 HydrophobicContact CD2-CG 4.04Å; V81-F117 HydrophobicContact CG1-CD1 3.48Å; V81-F117 VanDerWaalsContact CG1-CD1 3.48Å; V81-F117 HydrophobicContact CG1-CE1 3.81Å; V81-F117 HydrophobicContact CG1-CG 4.44Å; V81-F117 HydrophobicContact CG2-CD1 4.43Å; V81-F117 HydrophobicContact CG2-CE1 4.42Å; R83-F117 HydrophobicContact CB-CE1 4.07Å; R83-F117 HydrophobicContact CB-CZ 4.19Å; R83-F117 HydrophobicContact CG-CD1 4.47Å; R83-F117 HydrophobicContact CG-CE1 3.72Å; R83-F117 HydrophobicContact CG-CZ 4.33Å; F115-F117 AromaticContact CD2-CD2 3.88Å; F115-F117 HydrophobicContact CD2-CD2 3.88Å; F115-F117 AromaticContact CD2-CE2 3.57Å; F115-F117 HydrophobicContact CD2-CE2 3.57Å; F115-F117 HydrophobicContact CE2-CD2 4.33Å; F115-F117 HydrophobicContact CE2-CE2 4.17Å; F115-F117 HydrophobicContact CG-CE2 4.47Å |
| 118 | E | 91.5 | Very high | 92.4 | Very high | 132 Ų | 132 | 38 Ų | 38 | 62% | 0.617 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -100.2 | 144.8 | 169.2 | -67.6 | 170.6 | 170.7 | 0 | 0 | 109 | F116 | F116-E118 HydrophobicContact CD1-CG 4.49Å; F116-E118 HydrophobicContact CE1-CG 3.47Å; F116-E118 VanDerWaalsContact CE1-CG 3.47Å; F116-E118 WeakPolarHBondContact CE1-OE1 3.18Å; F116-E118 HydrophobicContact CZ-CG 3.77Å |
| 119 | F | 91.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -85.4 | 133.6 | 171.1 | -68.2 | -79.8 | 0 | 0 | 0 | 109.4 | F26 V33 D34 V36 L56 L123 F144 I168 K170 | F26-F119 HydrophobicContact CB-CE2 3.8Å; F26-F119 HydrophobicContact CB-CZ 4.3Å; F26-F119 HydrophobicContact CD1-CE2 4.45Å; F26-F119 HydrophobicContact CG-CE2 4.06Å; F26-F119 HydrophobicContact CG-CZ 4.43Å; V33-F119 HydrophobicContact CB-CB 3.99Å; V33-F119 HydrophobicContact CB-CD2 3.99Å; V33-F119 HydrophobicContact CB-CG 4.39Å; V33-F119 HydrophobicContact CG1-CB 4.08Å; V33-F119 HydrophobicContact CG1-CD2 3.35Å; V33-F119 HydrophobicContact CG1-CE2 4Å; V33-F119 HydrophobicContact CG1-CG 3.95Å; V33-F119 HydrophobicContact CG2-CB 4.16Å; D34-F119 WeakPolarHBondContact O-CE2 3.28Å; V36-F119 HydrophobicContact CG2-CD2 4.28Å; V36-F119 HydrophobicContact CG2-CE1 4.2Å; V36-F119 HydrophobicContact CG2-CE2 3.3Å; V36-F119 HydrophobicContact CG2-CZ 3.25Å; L56-F119 HydrophobicContact CD1-CE1 4.26Å; L56-F119 HydrophobicContact CD2-CD1 4.22Å; L56-F119 HydrophobicContact CD2-CE1 3.93Å; L56-F119 HydrophobicContact CD2-CZ 4.4Å; F119-L123 HydrophobicContact CD1-CD1 4.26Å; F119-F144 HydrophobicContact CD1-CD1 4.29Å; F119-F144 AromaticContact CD1-CE1 3.9Å; F119-F144 HydrophobicContact CD1-CE1 3.9Å; F119-F144 AromaticContact CE1-CD1 3.56Å; F119-F144 HydrophobicContact CE1-CD1 3.56Å; F119-F144 AromaticContact CE1-CE1 3.62Å; F119-F144 HydrophobicContact CE1-CE1 3.62Å; F119-F144 HydrophobicContact CZ-CD1 4.48Å; F119-I168 HydrophobicContact CZ-CD1 4.12Å; F119-K170 HydrophobicContact CD1-CD 4.38Å |
| 120 | P | 91.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 36.6 Ų | 36.6 | 26% | 0.26 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 148.1 | 162.6 | -19.8 | 30.1 | 0 | 0 | 0 | 112 | F79 N122 L123 | F79-P120 HydrophobicContact CD2-CG 3.79Å; F79-P120 HydrophobicContact CE2-CG 3.41Å; F79-P120 VanDerWaalsContact CE2-CG 3.41Å; F79-P120 HydrophobicContact CZ-CG 3.81Å; P120-N122 WeakPolarHBondContact CB-OD1 3.21Å; P120-N122 PolarHBondContact O-N 3.16Å; P120-L123 HydrophobicContact CB-CG 4.23Å; P120-L123 HydrophobicContact CG-CD1 4.23Å; P120-L123 HydrophobicContact CG-CG 4.33Å; P120-L123 PolarHBondContact O-N 2.93Å |
| 121 | D | 87.5 | Confident | 91.8 | Very high | 78 Ų | 78 | 32.4 Ų | 32.4 | 42% | 0.417 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.4 | -179 | -75.1 | 8.1 | 0 | 0 | 0 | 113.6 | L123 K307 V310 | D121-L123 VanDerWaalsContact C-N 3.32Å; D121-L123 PolarHBondContact O-N 2.74Å; D121-K307 IonicContact OD2-NZ 2.71Å; D121-K307 PolarHBondContact OD2-NZ 2.86Å; D121-V310 HydrophobicContact CB-CG1 4.48Å |
| 122 | N | 90.5 | Very high | 91.2 | Very high | 47 Ų | 47 | 29.6 Ų | 29.6 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 9.5 | -176.5 | 67.6 | -9.9 | 0 | 0 | 0 | 114.1 | P120 V310 E313 V314 | P120-N122 WeakPolarHBondContact CB-OD1 3.21Å; P120-N122 PolarHBondContact O-N 3.16Å; N122-V310 HydrophobicContact CB-CB 4.1Å; N122-E313 HydrophobicContact CB-CB 4.17Å; N122-E313 PolarHBondContact ND2-OE2 2.69Å; N122-V314 HydrophobicContact CB-CG2 4.44Å; N122-V314 WeakPolarHBondContact O-CG2 3.44Å |
| 123 | L | 93.9 | Very high | 90.5 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -89.7 | 134 | 178.8 | -59.5 | -170.4 | 0 | 0 | 0 | 112.8 | C58 F79 F119 P120 D121 F144 K170 | C58-L123 HydrophobicContact CB-CD1 4.37Å; F79-L123 HydrophobicContact CB-CD1 3.79Å; F79-L123 HydrophobicContact CB-CD2 3.69Å; F79-L123 HydrophobicContact CB-CG 4.42Å; F79-L123 HydrophobicContact CD1-CD1 3.75Å; F79-L123 HydrophobicContact CD2-CD1 4.44Å; F79-L123 HydrophobicContact CE1-CD1 4.4Å; F79-L123 HydrophobicContact CG-CD1 3.76Å; F79-L123 HydrophobicContact CG-CD2 4.3Å; F119-L123 HydrophobicContact CD1-CD1 4.26Å; P120-L123 HydrophobicContact CB-CG 4.23Å; P120-L123 HydrophobicContact CG-CD1 4.23Å; P120-L123 HydrophobicContact CG-CG 4.33Å; P120-L123 PolarHBondContact O-N 2.93Å; D121-L123 VanDerWaalsContact C-N 3.32Å; D121-L123 PolarHBondContact O-N 2.74Å; L123-F144 HydrophobicContact CB-CE1 4.49Å; L123-F144 HydrophobicContact CB-CZ 4.24Å; L123-F144 HydrophobicContact CD1-CE1 3.92Å; L123-F144 HydrophobicContact CD1-CZ 4.46Å; L123-K170 PolarHBondContact O-NZ 2.86Å |
| 124 | P | 94.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 166.6 | 175.3 | 33.3 | -41.4 | 0 | 0 | 0 | 112.1 | L78 V142 F144 V314 Q315 | L78-P124 HydrophobicContact CD1-CG 4.18Å; P124-V142 HydrophobicContact CG-CG1 3.71Å; P124-V142 HydrophobicContact CG-CG2 4.38Å; P124-F144 WeakPolarHBondContact O-CE2 3.13Å; P124-F144 VanDerWaalsContact O-CZ 3.24Å; P124-F144 WeakPolarHBondContact O-CZ 3.06Å; P124-V314 HydrophobicContact CB-CG1 4.28Å; P124-Q315 VanDerWaalsContact CD-O 3.28Å; P124-Q315 WeakPolarHBondContact CD-O 3.49Å; P124-Q315 VanDerWaalsContact CG-O 3.24Å; P124-Q315 WeakPolarHBondContact CG-O 3.38Å |
| 125 | C | 94.3 | Very high | 89 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 165.5 | 169 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | V127 K170 | C125-V127 PolarHBondContact O-N 2.74Å; C125-K170 WeakPolarHBondContact CB-O 3.22Å |
| 126 | S | 94.9 | Very high | 88 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | trans | -71.6 | 110.4 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | F144 R169 K170 G291 | S126-F144 WeakPolarHBondContact OG-CD2 3.38Å; S126-R169 WeakPolarHBondContact OG-CA 3.47Å; S126-K170 PolarHBondContact N-O 2.88Å; S126-K170 PolarHBondContact OG-N 3.38Å; S126-K170 PolarHBondContact OG-O 3.45Å; S126-G291 PolarHBondContact O-N 2.8Å | ||
| 127 | V | 94.4 | Very high | 87 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.7 | -177 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | C125 A141 V142 A288 L289 A301 M317 I319 | C125-V127 PolarHBondContact O-N 2.74Å; V127-A141 CarbonylContact O-C 3.56Å; V127-A141 VanDerWaalsContact O-CA 3.23Å; V127-A141 WeakPolarHBondContact O-CA 3.41Å; V127-A141 WeakPolarHBondContact O-CB 3.49Å; V127-V142 PolarHBondContact N-O 3.16Å; V127-V142 PolarHBondContact O-N 2.73Å; V127-A288 HydrophobicContact CG1-CB 4.02Å; V127-L289 WeakPolarHBondContact CA-O 3.49Å; V127-A301 HydrophobicContact CG1-CB 4.06Å; V127-A301 HydrophobicContact CG2-CB 4.39Å; V127-M317 HydrophobicContact CB-CB 4.28Å; V127-M317 HydrophobicContact CB-SD 4.25Å; V127-M317 HydrophobicContact CG1-CB 4.18Å; V127-M317 HydrophobicContact CG1-SD 3.79Å; V127-I319 HydrophobicContact CG1-CD1 4.12Å; V127-I319 HydrophobicContact CG1-CG1 4.2Å; V127-I319 HydrophobicContact CG2-CG1 4.3Å |
| 128 | S | 92.8 | Very high | 86.4 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 141.8 | 172.7 | 60 | 0 | 0 | 0 | 0 | 111.4 | C140 A288 L289 | S128-C140 CarbonylContact C-O 3.57Å; S128-C140 WeakPolarHBondContact CA-O 3.44Å; S128-A288 CarbonylContact O-C 3.54Å; S128-L289 PolarHBondContact N-O 2.95Å; S128-L289 PolarHBondContact O-N 3.08Å |
| 129 | L | 91.1 | Very high | 86 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 133.3 | 171 | -58.2 | -179.5 | 0 | 0 | 0 | 109.9 | C140 T239 I287 A288 M317 | L129-C140 HydrophobicContact CB-CB 4.11Å; L129-C140 HydrophobicContact CD1-CB 4.11Å; L129-C140 HydrophobicContact CG-CB 4.3Å; L129-C140 PolarHBondContact N-O 2.91Å; L129-T239 HydrophobicContact CD2-CG2 3.96Å; L129-I287 WeakPolarHBondContact CA-O 3.16Å; L129-A288 HydrophobicContact CD2-CB 3.83Å; L129-M317 HydrophobicContact CD1-CE 4.21Å; L129-M317 HydrophobicContact CD2-SD 4.23Å; L129-M317 HydrophobicContact CG-CE 3.97Å; L129-M317 HydrophobicContact CG-SD 4.05Å |
| 130 | Q | 88.1 | Confident | 85.8 | Confident | 20 Ų | 20 | 46 Ų | 46 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 123.1 | 176.8 | -167.8 | 167.3 | -69.7 | 0 | 0 | 110.3 | N281 K282 R284 G286 I287 L289 | Q130-N281 PolarHBondContact NE2-O 2.86Å; Q130-K282 PolarHBondContact NE2-O 2.85Å; Q130-R284 PolarHBondContact NE2-O 3.45Å; Q130-G286 PolarHBondContact O-N 3.02Å; Q130-I287 HydrophobicContact CB-CB 4.33Å; Q130-I287 WeakPolarHBondContact CB-O 3.4Å; Q130-I287 PolarHBondContact N-O 3.22Å; Q130-L289 HydrophobicContact CB-CD1 4.11Å; Q130-L289 HydrophobicContact CB-CG 4.39Å; Q130-L289 HydrophobicContact CG-CD1 4.35Å |
| 131 | P | 85 | Confident | 85.8 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 153.5 | 175.3 | 29.3 | -34 | 0 | 0 | 0 | 110.3 | D135 | P131-D135 HydrophobicContact CB-CB 4.02Š|
| 132 | G | 81.5 | Confident | 86.2 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 165.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N134 D135 | G132-N134 PolarHBondContact O-N 2.68Å; G132-N134 VanDerWaalsContact O-N 3.12Å; G132-D135 PolarHBondContact O-N 2.73Å |
| 133 | P | 78 | Confident | 86.3 | Confident | 99 Ų | 99 | 39.5 Ų | 39.5 | 64% | 0.643 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.8 | 177.5 | -27.7 | 34.9 | 0 | 0 | 0 | 113.9 | ||
| 134 | N | 78.6 | Confident | 86.4 | Confident | 156 Ų | 156 | 39 Ų | 39 | 83% | 0.834 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.1 | -179.7 | -61.4 | -23.3 | 0 | 0 | 0 | 113.9 | G132 V136 | G132-N134 PolarHBondContact O-N 2.68Å; G132-N134 VanDerWaalsContact O-N 3.12Å; N134-V136 VanDerWaalsContact C-N 3.31Å; N134-V136 PolarHBondContact O-N 3.2Å |
| 135 | D | 75.1 | Confident | 86.5 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | trans | -95.9 | 37.6 | -176.5 | -76.9 | -38.1 | 0 | 0 | 0 | 112.4 | P131 G132 G137 K138 R285 | P131-D135 HydrophobicContact CB-CB 4.02Å; G132-D135 PolarHBondContact O-N 2.73Å; D135-G137 PolarHBondContact O-N 3.19Å; D135-K138 HydrophobicContact CB-CB 4.29Å; D135-K138 HydrophobicContact CB-CD 4.12Å; D135-K138 PolarHBondContact O-N 2.79Å; D135-K138 WeakPolarHBondContact OD1-CD 3.38Å; D135-K138 IonicContact OD1-NZ 3.94Å; D135-K138 PolarHBondContact OD1-NZ 2.95Å; D135-R285 IonicContact OD1-NH2 3.76Å; D135-R285 IonicContact OD2-CZ 3.05Å; D135-R285 VanDerWaalsContact OD2-CZ 3.29Å; D135-R285 IonicContact OD2-NE 2.79Å; D135-R285 PolarHBondContact OD2-NE 3.1Å; D135-R285 IonicContact OD2-NH2 2.69Å; D135-R285 PolarHBondContact OD2-NH2 3.28Å | ||
| 136 | V | 70.7 | Confident | 86.6 | Confident | 107 Ų | 107 | 38.4 Ų | 38.4 | 65% | 0.648 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 126.8 | -178.7 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | R64 N134 K138 | R64-V136 PolarHBondContact NE-O 3.01Å; R64-V136 VanDerWaalsContact NE-O 3.08Å; R64-V136 PolarHBondContact NH2-O 2.72Å; N134-V136 VanDerWaalsContact C-N 3.31Å; N134-V136 PolarHBondContact O-N 3.2Å; V136-K138 VanDerWaalsContact C-N 3.26Å; V136-K138 PolarHBondContact O-N 3.04Å |
| 137 | G | 70.4 | Confident | 86.6 | Confident | 54 Ų | 54 | 40 Ų | 40 | 56% | 0.557 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -7.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R64 D135 | R64-G137 WeakPolarHBondContact CA-O 3.37Å; D135-G137 PolarHBondContact O-N 3.19Å |
| 138 | K | 78.8 | Confident | 86.7 | Confident | 94 Ų | 94 | 40 Ų | 40 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 139.3 | 173.3 | -62.7 | -177.4 | -167.7 | 163.1 | 0 | 110 | G63 R64 D135 V136 | G63-K138 WeakPolarHBondContact O-CA 3.38Å; R64-K138 HydrophobicContact CG-CG 3.9Å; D135-K138 HydrophobicContact CB-CB 4.29Å; D135-K138 HydrophobicContact CB-CD 4.12Å; D135-K138 PolarHBondContact O-N 2.79Å; D135-K138 WeakPolarHBondContact OD1-CD 3.38Å; D135-K138 IonicContact OD1-NZ 3.94Å; D135-K138 PolarHBondContact OD1-NZ 2.95Å; V136-K138 VanDerWaalsContact C-N 3.26Å; V136-K138 PolarHBondContact O-N 3.04Å |
| 139 | K | 82.2 | Confident | 86.8 | Confident | 66 Ų | 66 | 39.2 Ų | 39.2 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.9 | 178.4 | -175.1 | 173.6 | -172.9 | 172.7 | 0 | 109.5 | Y62 G63 A141 E143 | Y62-K139 CarbonylContact C-O 3.59Å; Y62-K139 VanDerWaalsContact C-O 3.26Å; Y62-K139 WeakPolarHBondContact CA-O 3.48Å; G63-K139 PolarHBondContact N-O 2.82Å; G63-K139 PolarHBondContact O-N 2.86Å; K139-A141 HydrophobicContact CG-CB 4.13Å; K139-E143 VanDerWaalsContact CE-CD 3.49Å; K139-E143 WeakPolarHBondContact CE-OE1 3.06Å; K139-E143 IonicContact NZ-OE1 3.18Å; K139-E143 PolarHBondContact NZ-OE1 3.47Å; K139-E143 IonicContact NZ-OE2 3.11Å; K139-E143 PolarHBondContact NZ-OE2 2.93Å |
| 140 | C | 88.3 | Confident | 86.9 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 108.9 | 167.5 | -170 | 0 | 0 | 0 | 0 | 107.9 | R61 Y62 S128 L129 M317 | R61-C140 CarbonylContact O-C 3.5Å; R61-C140 WeakPolarHBondContact O-CA 3.28Å; Y62-C140 HydrophobicContact CD2-CB 3.86Å; S128-C140 CarbonylContact C-O 3.57Å; S128-C140 WeakPolarHBondContact CA-O 3.44Å; L129-C140 HydrophobicContact CB-CB 4.11Å; L129-C140 HydrophobicContact CD1-CB 4.11Å; L129-C140 HydrophobicContact CG-CB 4.3Å; L129-C140 PolarHBondContact N-O 2.91Å; C140-M317 HydrophobicContact CB-CE 4.34Å; C140-M317 WeakPolarHBondContact SG-CE 3.47Å |
| 141 | A | 92.1 | Very high | 87 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 150.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F60 R61 V127 K139 E143 | F60-A141 CarbonylContact C-O 3.6Å; F60-A141 WeakPolarHBondContact CA-O 2.79Å; R61-A141 PolarHBondContact N-O 3.37Å; R61-A141 PolarHBondContact O-N 2.68Å; V127-A141 CarbonylContact O-C 3.56Å; V127-A141 VanDerWaalsContact O-CA 3.23Å; V127-A141 WeakPolarHBondContact O-CA 3.41Å; V127-A141 WeakPolarHBondContact O-CB 3.49Å; K139-A141 HydrophobicContact CG-CB 4.13Å; A141-E143 HydrophobicContact CB-CG 3.97Å |
| 142 | V | 94.6 | Very high | 87 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 116.9 | 160.7 | 175.6 | 0 | 0 | 0 | 0 | 107.5 | F60 L78 P124 V127 F144 M317 | F60-V142 HydrophobicContact CD2-CG2 3.79Å; F60-V142 HydrophobicContact CE2-CG2 4.39Å; L78-V142 HydrophobicContact CD1-CG1 4.4Å; P124-V142 HydrophobicContact CG-CG1 3.71Å; P124-V142 HydrophobicContact CG-CG2 4.38Å; V127-V142 PolarHBondContact N-O 3.16Å; V127-V142 PolarHBondContact O-N 2.73Å; V142-F144 HydrophobicContact CG1-CE2 4.09Å; V142-M317 HydrophobicContact CG2-CB 4.46Å; V142-M317 HydrophobicContact CG2-CG 4.13Å |
| 143 | E | 93.8 | Very high | 87.2 | Confident | 23 Ų | 23 | 44 Ų | 44 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.9 | -176.9 | -57.7 | -162 | 96.6 | 0 | 0 | 112.1 | C58 T59 R61 K139 A141 | C58-E143 CarbonylContact C-O 3.6Å; C58-E143 WeakPolarHBondContact CA-O 3.38Å; T59-E143 PolarHBondContact N-O 2.98Å; T59-E143 PolarHBondContact O-N 3.49Å; R61-E143 IonicContact CZ-OE2 3.32Å; R61-E143 IonicContact NE-OE2 2.72Å; R61-E143 IonicContact NH1-OE2 2.81Å; R61-E143 PolarHBondContact NH1-OE2 2.91Å; K139-E143 VanDerWaalsContact CE-CD 3.49Å; K139-E143 WeakPolarHBondContact CE-OE1 3.06Å; K139-E143 IonicContact NZ-OE1 3.18Å; K139-E143 PolarHBondContact NZ-OE1 3.47Å; K139-E143 IonicContact NZ-OE2 3.11Å; K139-E143 PolarHBondContact NZ-OE2 2.93Å; A141-E143 HydrophobicContact CB-CG 3.97Å |
| 144 | F | 95.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.7 | 170.9 | -69.1 | -99.7 | 0 | 0 | 0 | 110.7 | S57 C58 F119 L123 P124 S126 V142 I168 K170 | S57-F144 WeakPolarHBondContact O-CA 3.35Å; C58-F144 HydrophobicContact CB-CD1 3.82Å; C58-F144 HydrophobicContact CB-CE1 3.54Å; C58-F144 HydrophobicContact CB-CZ 3.99Å; C58-F144 WeakPolarHBondContact SG-CZ 3.39Å; F119-F144 HydrophobicContact CD1-CD1 4.29Å; F119-F144 AromaticContact CD1-CE1 3.9Å; F119-F144 HydrophobicContact CD1-CE1 3.9Å; F119-F144 AromaticContact CE1-CD1 3.56Å; F119-F144 HydrophobicContact CE1-CD1 3.56Å; F119-F144 AromaticContact CE1-CE1 3.62Å; F119-F144 HydrophobicContact CE1-CE1 3.62Å; F119-F144 HydrophobicContact CZ-CD1 4.48Å; L123-F144 HydrophobicContact CB-CE1 4.49Å; L123-F144 HydrophobicContact CB-CZ 4.24Å; L123-F144 HydrophobicContact CD1-CE1 3.92Å; L123-F144 HydrophobicContact CD1-CZ 4.46Å; P124-F144 WeakPolarHBondContact O-CE2 3.13Å; P124-F144 VanDerWaalsContact O-CZ 3.24Å; P124-F144 WeakPolarHBondContact O-CZ 3.06Å; S126-F144 WeakPolarHBondContact OG-CD2 3.38Å; V142-F144 HydrophobicContact CG1-CE2 4.09Å; F144-I168 HydrophobicContact CB-CD1 4.28Å; F144-I168 HydrophobicContact CB-CG1 3.66Å; F144-I168 PolarHBondContact O-N 3.03Å; F144-K170 HydrophobicContact CD2-CB 4.12Å; F144-K170 HydrophobicContact CE1-CB 4.48Å; F144-K170 HydrophobicContact CE1-CD 4.39Å; F144-K170 HydrophobicContact CE2-CB 3.78Å; F144-K170 HydrophobicContact CE2-CD 4.48Å; F144-K170 HydrophobicContact CZ-CB 3.95Å; F144-K170 HydrophobicContact CZ-CD 3.9Å |
| 145 | E | 95.4 | Very high | 87.6 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 136.3 | -177.4 | 173.7 | -177.3 | -8.1 | 0 | 0 | 111.3 | L56 S57 K147 R165 L166 | L56-E145 WeakPolarHBondContact CA-O 2.94Å; S57-E145 PolarHBondContact N-O 2.93Å; S57-E145 PolarHBondContact O-N 2.95Å; E145-K147 HydrophobicContact CG-CB 4.34Å; E145-R165 HydrophobicContact CG-CG 4.14Å; E145-R165 IonicContact OE1-CZ 2.72Å; E145-R165 IonicContact OE1-NE 3.67Å; E145-R165 PolarHBondContact OE1-NE 3.29Å; E145-R165 IonicContact OE1-NH2 3.46Å; E145-R165 PolarHBondContact OE1-NH2 2.73Å; E145-R165 WeakPolarHBondContact OE2-CB 3.4Å; E145-R165 WeakPolarHBondContact OE2-CD 3.24Å; E145-R165 WeakPolarHBondContact OE2-CG 3.47Å; E145-R165 IonicContact OE2-CZ 2.62Å; E145-R165 IonicContact OE2-NE 2.66Å; E145-R165 PolarHBondContact OE2-NE 3.48Å; E145-R165 IonicContact OE2-NH2 3.02Å; E145-L166 WeakPolarHBondContact CA-O 3.34Å |
| 146 | V | 96.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.3 | 160.9 | 180 | 0 | 0 | 0 | 0 | 108.2 | M21 V36 V54 M55 L56 F115 L166 I168 | M21-V146 HydrophobicContact CE-CG2 4.08Å; M21-V146 HydrophobicContact SD-CB 4.34Å; M21-V146 HydrophobicContact SD-CG1 4.5Å; M21-V146 HydrophobicContact SD-CG2 4.18Å; V36-V146 HydrophobicContact CG1-CG2 3.72Å; V54-V146 HydrophobicContact CG1-CG1 3.74Å; M55-V146 CarbonylContact O-C 3.51Å; M55-V146 WeakPolarHBondContact O-CA 3.03Å; L56-V146 HydrophobicContact CD1-CG2 4.28Å; F115-V146 HydrophobicContact CE2-CG1 4.05Å; F115-V146 HydrophobicContact CZ-CG1 4.07Å; V146-L166 HydrophobicContact CB-CB 4.45Å; V146-L166 PolarHBondContact N-O 3.42Å; V146-L166 PolarHBondContact O-N 2.83Å; V146-I168 HydrophobicContact CG2-CD1 3.88Å; V146-I168 HydrophobicContact CG2-CG1 4.44Å; V146-I168 HydrophobicContact CG2-CG2 4.25Å |
| 147 | K | 96 | Very high | 88.5 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.4 | 177.6 | -170 | -178 | -176.4 | -170.3 | 0 | 109.9 | V54 M55 E145 I158 V164 | V54-K147 CarbonylContact C-O 3.54Å; V54-K147 WeakPolarHBondContact CA-O 3.48Å; M55-K147 HydrophobicContact CE-CB 4.01Å; M55-K147 HydrophobicContact CE-CD 3.87Å; M55-K147 PolarHBondContact N-O 2.85Å; M55-K147 PolarHBondContact O-N 2.81Å; E145-K147 HydrophobicContact CG-CB 4.34Å; K147-I158 HydrophobicContact CD-CD1 4.06Å; K147-I158 VanDerWaalsContact NZ-CG2 3.26Å; K147-V164 CarbonylContact C-O 3.59Å; K147-V164 VanDerWaalsContact CA-O 3.28Å; K147-V164 WeakPolarHBondContact CA-O 3.44Å |
| 148 | A | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | V17 V19 I40 Y53 V54 S163 V164 | V17-A148 HydrophobicContact CG1-CB 3.92Å; V19-A148 HydrophobicContact CG2-CB 3.55Å; I40-A148 HydrophobicContact CD1-CB 3.71Å; Y53-A148 CarbonylContact O-C 3.59Å; Y53-A148 VanDerWaalsContact O-CA 3.29Å; Y53-A148 WeakPolarHBondContact O-CA 3.16Å; V54-A148 HydrophobicContact CG2-CB 4.02Å; A148-S163 CarbonylContact O-C 3.44Å; A148-S163 VanDerWaalsContact O-CA 3.23Å; A148-S163 WeakPolarHBondContact O-CA 3.33Å; A148-S163 WeakPolarHBondContact O-CB 3.38Å; A148-V164 HydrophobicContact CB-CG1 3.83Å; A148-V164 PolarHBondContact N-O 2.93Å; A148-V164 PolarHBondContact O-N 2.77Å |
| 149 | F | 94.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 156.5 | -177.2 | 62.8 | -86.7 | 0 | 0 | 0 | 113 | V52 Y53 M55 T82 I158 S162 | V52-F149 WeakPolarHBondContact CA-O 3.37Å; Y53-F149 HydrophobicContact CD2-CD2 4.35Å; Y53-F149 AromaticContact CD2-CE2 3.83Å; Y53-F149 HydrophobicContact CD2-CE2 3.83Å; Y53-F149 HydrophobicContact CD2-CZ 4.33Å; Y53-F149 HydrophobicContact CG-CE2 4.13Å; Y53-F149 HydrophobicContact CG-CZ 4.16Å; Y53-F149 PolarHBondContact N-O 3.27Å; Y53-F149 PolarHBondContact O-N 3.43Å; M55-F149 HydrophobicContact CB-CE1 4.15Å; T82-F149 HydrophobicContact CG2-CZ 4.27Å; F149-I158 HydrophobicContact CB-CG2 3.51Å; F149-I158 HydrophobicContact CD1-CD1 3.75Å; F149-I158 HydrophobicContact CD1-CG1 4.19Å; F149-I158 HydrophobicContact CD1-CG2 4.44Å; F149-I158 HydrophobicContact CD2-CB 4.45Å; F149-I158 HydrophobicContact CD2-CD1 4.2Å; F149-I158 HydrophobicContact CD2-CG1 3.73Å; F149-I158 HydrophobicContact CD2-CG2 4.16Å; F149-I158 HydrophobicContact CE1-CD1 3.68Å; F149-I158 HydrophobicContact CE1-CG1 4.26Å; F149-I158 HydrophobicContact CE2-CD1 4.14Å; F149-I158 HydrophobicContact CE2-CG1 3.81Å; F149-I158 HydrophobicContact CG-CB 4.48Å; F149-I158 HydrophobicContact CG-CD1 4.01Å; F149-I158 HydrophobicContact CG-CG1 3.92Å; F149-I158 HydrophobicContact CG-CG2 3.81Å; F149-I158 HydrophobicContact CZ-CD1 3.87Å; F149-I158 HydrophobicContact CZ-CG1 4.07Å; F149-S162 WeakPolarHBondContact CA-O 2.88Å |
| 150 | C | 92.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 142.8 | 172.2 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | V17 L47 K50 K51 S162 | V17-C150 WeakPolarHBondContact CG2-SG 3.29Å; L47-C150 HydrophobicContact CD1-CB 4.03Å; L47-C150 WeakPolarHBondContact CD1-SG 3.3Å; K50-C150 HydrophobicContact CB-CB 4.45Å; K50-C150 HydrophobicContact CD-CB 4.39Å; K51-C150 VanDerWaalsContact O-CA 3.27Å; K51-C150 WeakPolarHBondContact O-CA 3.33Å; C150-S162 PolarHBondContact N-O 3.43Å |
| 151 | G | 89.9 | Confident | 89.9 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 168.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K51 | K51-G151 WeakPolarHBondContact CB-O 3.25Å; K51-G151 PolarHBondContact N-O 2.82Å; K51-G151 PolarHBondContact O-N 3.23Å |
| 152 | E | 86 | Confident | 89.7 | Confident | 124 Ų | 124 | 57.4 Ų | 57.4 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -79.2 | -36.1 | 171.5 | -64.9 | -174 | 178.3 | 0 | 0 | 111.2 | K51 E156 | K51-E152 WeakPolarHBondContact CD-O 3.4Å; K51-E152 WeakPolarHBondContact CE-O 3.48Å; K51-E152 PolarHBondContact NZ-O 2.9Å; E152-E156 PolarHBondContact N-OE2 2.82Å |
| 153 | N | 84.8 | Confident | 89.6 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -135.8 | 158.6 | 178.7 | -62.5 | -48.1 | 0 | 0 | 0 | 110.7 | D155 E156 | N153-D155 VanDerWaalsContact C-N 3.26Å; N153-D155 PolarHBondContact O-N 2.62Å; N153-E156 WeakPolarHBondContact O-CB 2.92Å; N153-E156 PolarHBondContact O-N 2.82Å |
| 154 | Q | 83.9 | Confident | 89.7 | Confident | 99 Ų | 99 | 57.2 Ų | 57.2 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -27.6 | -178 | 70.6 | -176.1 | -5.4 | 0 | 0 | 113.7 | Y53 T82 | Y53-Q154 HydrophobicContact CD1-CB 4Å; Y53-Q154 HydrophobicContact CE1-CB 3.76Å; T82-Q154 HydrophobicContact CG2-CB 4.26Å |
| 155 | D | 81.4 | Confident | 89.6 | Confident | 139 Ų | 139 | 61 Ų | 61 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 1.4 | -174.7 | -55.9 | -57.1 | 0 | 0 | 0 | 112.9 | N153 | N153-D155 VanDerWaalsContact C-N 3.26Å; N153-D155 PolarHBondContact O-N 2.62Å |
| 156 | E | 80.4 | Confident | 89.4 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -68.5 | 149.2 | 179.6 | -161.5 | -172.9 | 162.2 | 0 | 0 | 111.2 | E152 N153 I158 | E152-E156 PolarHBondContact N-OE2 2.82Å; N153-E156 WeakPolarHBondContact O-CB 2.92Å; N153-E156 PolarHBondContact O-N 2.82Å; E156-I158 PolarHBondContact O-N 2.95Å |
| 157 | K | 84.9 | Confident | 89.2 | Confident | 196 Ų | 196 | 62.6 Ų | 62.6 | 85% | 0.852 | 30% | 0.301 | S | S | * | . | trans | -59.9 | 112.6 | 174.7 | -175.6 | 178.9 | 180 | 178 | 0 | 110 | D159 | K157-D159 PolarHBondContact O-N 2.9Š| ||
| 158 | I | 87.4 | Confident | 89.2 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | trans | -64 | 119.8 | -176.7 | -57.4 | 170.4 | 0 | 0 | 0 | 111.2 | K147 F149 E156 | K147-I158 HydrophobicContact CD-CD1 4.06Å; K147-I158 VanDerWaalsContact NZ-CG2 3.26Å; F149-I158 HydrophobicContact CB-CG2 3.51Å; F149-I158 HydrophobicContact CD1-CD1 3.75Å; F149-I158 HydrophobicContact CD1-CG1 4.19Å; F149-I158 HydrophobicContact CD1-CG2 4.44Å; F149-I158 HydrophobicContact CD2-CB 4.45Å; F149-I158 HydrophobicContact CD2-CD1 4.2Å; F149-I158 HydrophobicContact CD2-CG1 3.73Å; F149-I158 HydrophobicContact CD2-CG2 4.16Å; F149-I158 HydrophobicContact CE1-CD1 3.68Å; F149-I158 HydrophobicContact CE1-CG1 4.26Å; F149-I158 HydrophobicContact CE2-CD1 4.14Å; F149-I158 HydrophobicContact CE2-CG1 3.81Å; F149-I158 HydrophobicContact CG-CB 4.48Å; F149-I158 HydrophobicContact CG-CD1 4.01Å; F149-I158 HydrophobicContact CG-CG1 3.92Å; F149-I158 HydrophobicContact CG-CG2 3.81Å; F149-I158 HydrophobicContact CZ-CD1 3.87Å; F149-I158 HydrophobicContact CZ-CG1 4.07Å; E156-I158 PolarHBondContact O-N 2.95Å | ||
| 159 | D | 86.4 | Confident | 89.1 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | trans | -69.6 | 133.3 | 171.3 | 167.5 | 35.5 | 0 | 0 | 0 | 111.2 | K157 Q161 S162 S163 | K157-D159 PolarHBondContact O-N 2.9Å; D159-Q161 VanDerWaalsContact C-N 3.31Å; D159-Q161 PolarHBondContact O-N 3.38Å; D159-Q161 PolarHBondContact OD1-N 3.32Å; D159-S162 WeakPolarHBondContact CB-OG 3.17Å; D159-S162 WeakPolarHBondContact OD2-CB 2.92Å; D159-S162 PolarHBondContact OD2-N 3.27Å; D159-S162 VanDerWaalsContact OD2-N 3.16Å; D159-S162 PolarHBondContact OD2-OG 3.32Å; D159-S163 WeakPolarHBondContact O-CB 3.48Å; D159-S163 PolarHBondContact O-N 3.29Å; D159-S163 PolarHBondContact O-OG 3.46Å | ||
| 160 | K | 87.1 | Confident | 89 | Confident | 165 Ų | 165 | 62.4 Ų | 62.4 | 72% | 0.717 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -74 | -21.4 | -178.8 | -68.3 | -176.6 | -180 | 177.9 | 0 | 112.6 | ||
| 161 | Q | 88.1 | Confident | 88.9 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 43% | 0.425 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -78 | -45.1 | 179 | -61.1 | -65.4 | -7.9 | 0 | 0 | 111.3 | R13 D14 D159 S163 | R13-Q161 PolarHBondContact N-O 3.08Å; D14-Q161 PolarHBondContact N-O 3.05Å; D14-Q161 VanDerWaalsContact OD1-O 3.12Å; D159-Q161 VanDerWaalsContact C-N 3.31Å; D159-Q161 PolarHBondContact O-N 3.38Å; D159-Q161 PolarHBondContact OD1-N 3.32Å; Q161-S163 VanDerWaalsContact C-N 3.31Å; Q161-S163 PolarHBondContact O-N 3.44Å |
| 162 | S | 88.1 | Confident | 88.9 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -91.1 | 22.8 | 179.2 | 57 | 0 | 0 | 0 | 0 | 114.3 | D14 F149 C150 D159 | D14-S162 VanDerWaalsContact OD2-CA 3.28Å; D14-S162 WeakPolarHBondContact OD2-CA 3.43Å; D14-S162 WeakPolarHBondContact OD2-CB 3.18Å; F149-S162 WeakPolarHBondContact CA-O 2.88Å; C150-S162 PolarHBondContact N-O 3.43Å; D159-S162 WeakPolarHBondContact CB-OG 3.17Å; D159-S162 WeakPolarHBondContact OD2-CB 2.92Å; D159-S162 PolarHBondContact OD2-N 3.27Å; D159-S162 VanDerWaalsContact OD2-N 3.16Å; D159-S162 PolarHBondContact OD2-OG 3.32Å |
| 163 | S | 92.6 | Very high | 88.8 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 152.4 | 174.2 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | A148 D159 Q161 | A148-S163 CarbonylContact O-C 3.44Å; A148-S163 VanDerWaalsContact O-CA 3.23Å; A148-S163 WeakPolarHBondContact O-CA 3.33Å; A148-S163 WeakPolarHBondContact O-CB 3.38Å; D159-S163 WeakPolarHBondContact O-CB 3.48Å; D159-S163 PolarHBondContact O-N 3.29Å; D159-S163 PolarHBondContact O-OG 3.46Å; Q161-S163 VanDerWaalsContact C-N 3.31Å; Q161-S163 PolarHBondContact O-N 3.44Å |
| 164 | V | 94.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.3 | 177.6 | 68.1 | 0 | 0 | 0 | 0 | 110 | K10 V17 V19 K147 A148 | K10-V164 HydrophobicContact CB-CG2 3.65Å; K10-V164 HydrophobicContact CD-CG2 3.68Å; K10-V164 HydrophobicContact CG-CG2 3.43Å; K10-V164 VanDerWaalsContact CG-CG2 3.43Å; V17-V164 HydrophobicContact CG1-CG1 4.36Å; V19-V164 HydrophobicContact CB-CG1 4.32Å; V19-V164 HydrophobicContact CG2-CG1 3.34Å; K147-V164 CarbonylContact C-O 3.59Å; K147-V164 VanDerWaalsContact CA-O 3.28Å; K147-V164 WeakPolarHBondContact CA-O 3.44Å; A148-V164 HydrophobicContact CB-CG1 3.83Å; A148-V164 PolarHBondContact N-O 2.93Å; A148-V164 PolarHBondContact O-N 2.77Å |
| 165 | R | 93.4 | Very high | 88.3 | Confident | 81 Ų | 81 | 50.9 Ų | 50.9 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124 | -173.6 | 152.5 | 170.9 | -137.4 | -159 | 1.3 | 110.6 | K10 E145 | K10-R165 VanDerWaalsContact CD-O 3.22Å; K10-R165 WeakPolarHBondContact CD-O 3.38Å; K10-R165 WeakPolarHBondContact CE-O 3.48Å; K10-R165 PolarHBondContact NZ-O 2.81Å; E145-R165 HydrophobicContact CG-CG 4.14Å; E145-R165 IonicContact OE1-CZ 2.72Å; E145-R165 IonicContact OE1-NE 3.67Å; E145-R165 PolarHBondContact OE1-NE 3.29Å; E145-R165 IonicContact OE1-NH2 3.46Å; E145-R165 PolarHBondContact OE1-NH2 2.73Å; E145-R165 WeakPolarHBondContact OE2-CB 3.4Å; E145-R165 WeakPolarHBondContact OE2-CD 3.24Å; E145-R165 WeakPolarHBondContact OE2-CG 3.47Å; E145-R165 IonicContact OE2-CZ 2.62Å; E145-R165 IonicContact OE2-NE 2.66Å; E145-R165 PolarHBondContact OE2-NE 3.48Å; E145-R165 IonicContact OE2-NH2 3.02Å |
| 166 | L | 92.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117 | 175.6 | -72.3 | 171.2 | 0 | 0 | 0 | 109.5 | K10 V19 M21 E145 V146 | K10-L166 HydrophobicContact CB-CD2 3.6Å; K10-L166 HydrophobicContact CB-CG 4.18Å; K10-L166 HydrophobicContact CD-CD2 3.86Å; K10-L166 HydrophobicContact CD-CG 4.38Å; K10-L166 HydrophobicContact CG-CD2 4.39Å; V19-L166 HydrophobicContact CB-CD1 3.64Å; V19-L166 HydrophobicContact CG1-CD1 3.34Å; V19-L166 HydrophobicContact CG2-CD1 4.41Å; M21-L166 HydrophobicContact CG-CD1 4.3Å; M21-L166 HydrophobicContact SD-CD1 3.74Å; E145-L166 WeakPolarHBondContact CA-O 3.34Å; V146-L166 HydrophobicContact CB-CB 4.45Å; V146-L166 PolarHBondContact N-O 3.42Å; V146-L166 PolarHBondContact O-N 2.83Å |
| 167 | T | 92.9 | Very high | 87 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.1 | 167.7 | -53.4 | 0 | 0 | 0 | 0 | 109.4 | L293 | T167-L293 HydrophobicContact CG2-CD2 4.17Å; T167-L293 WeakPolarHBondContact O-CD2 3.25Å |
| 168 | I | 94.4 | Very high | 86 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 167.9 | 173.8 | 63.1 | 167.4 | 0 | 0 | 0 | 108.9 | M21 R24 F26 V36 L56 F119 F144 V146 | M21-I168 HydrophobicContact CE-CG2 3.94Å; M21-I168 HydrophobicContact SD-CG2 4.3Å; R24-I168 CarbonylContact O-C 3.54Å; R24-I168 VanDerWaalsContact O-CA 3.27Å; R24-I168 WeakPolarHBondContact O-CA 3.35Å; R24-I168 WeakPolarHBondContact O-CB 3.42Å; F26-I168 HydrophobicContact CD2-CB 4.17Å; F26-I168 HydrophobicContact CD2-CD1 3.86Å; F26-I168 HydrophobicContact CE2-CB 3.94Å; F26-I168 HydrophobicContact CE2-CD1 3.78Å; F26-I168 HydrophobicContact CE2-CG1 4.46Å; F26-I168 HydrophobicContact CE2-CG2 3.99Å; V36-I168 HydrophobicContact CG1-CD1 4.22Å; V36-I168 HydrophobicContact CG2-CD1 3.81Å; L56-I168 HydrophobicContact CD1-CD1 3.91Å; F119-I168 HydrophobicContact CZ-CD1 4.12Å; F144-I168 HydrophobicContact CB-CD1 4.28Å; F144-I168 HydrophobicContact CB-CG1 3.66Å; F144-I168 PolarHBondContact O-N 3.03Å; V146-I168 HydrophobicContact CG2-CD1 3.88Å; V146-I168 HydrophobicContact CG2-CG1 4.44Å; V146-I168 HydrophobicContact CG2-CG2 4.25Å |
| 169 | R | 93.9 | Very high | 85.1 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 13% | 0.132 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.4 | 175.5 | -58.4 | -173.4 | -66 | -176.9 | -0.9 | 110.8 | R24 D25 F26 S126 I171 G291 L293 | R24-R169 PolarHBondContact O-N 3.14Å; D25-R169 CarbonylContact C-O 3.56Å; D25-R169 WeakPolarHBondContact CA-O 3.26Å; D25-R169 VanDerWaalsContact CG-NH2 3.3Å; D25-R169 WeakPolarHBondContact OD1-CB 3.37Å; D25-R169 IonicContact OD1-CZ 2.74Å; D25-R169 IonicContact OD1-NE 2.68Å; D25-R169 PolarHBondContact OD1-NE 3.29Å; D25-R169 IonicContact OD1-NH2 3.67Å; D25-R169 PolarHBondContact OD1-NH2 3.03Å; D25-R169 VanDerWaalsContact OD1-NH2 3.16Å; D25-R169 IonicContact OD2-CZ 2.77Å; D25-R169 IonicContact OD2-NE 3.36Å; D25-R169 IonicContact OD2-NH2 2.92Å; D25-R169 PolarHBondContact OD2-NH2 3.31Å; F26-R169 PolarHBondContact N-O 3.06Å; S126-R169 WeakPolarHBondContact OG-CA 3.47Å; R169-I171 HydrophobicContact CB-CG2 3.93Å; R169-G291 WeakPolarHBondContact CD-O 3.49Å; R169-G291 PolarHBondContact NH1-O 2.95Å; R169-L293 HydrophobicContact CG-CD1 4.34Å; R169-L293 HydrophobicContact CG-CD2 3.99Å; R169-L293 HydrophobicContact CG-CG 3.88Å |
| 170 | K | 93.7 | Very high | 84.7 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 114.3 | 158.6 | -177.9 | 170.9 | -179.3 | -86.2 | 0 | 107.1 | F26 D28 V33 F119 L123 C125 S126 F144 | F26-K170 WeakPolarHBondContact O-CA 3.38Å; D28-K170 WeakPolarHBondContact OD2-CE 3.39Å; D28-K170 IonicContact OD2-NZ 2.73Å; D28-K170 PolarHBondContact OD2-NZ 2.97Å; V33-K170 HydrophobicContact CG1-CD 4.44Å; V33-K170 HydrophobicContact CG1-CG 4.45Å; F119-K170 HydrophobicContact CD1-CD 4.38Å; L123-K170 PolarHBondContact O-NZ 2.86Å; C125-K170 WeakPolarHBondContact CB-O 3.22Å; S126-K170 PolarHBondContact N-O 2.88Å; S126-K170 PolarHBondContact OG-N 3.38Å; S126-K170 PolarHBondContact OG-O 3.45Å; F144-K170 HydrophobicContact CD2-CB 4.12Å; F144-K170 HydrophobicContact CE1-CB 4.48Å; F144-K170 HydrophobicContact CE1-CD 4.39Å; F144-K170 HydrophobicContact CE2-CB 3.78Å; F144-K170 HydrophobicContact CE2-CD 4.48Å; F144-K170 HydrophobicContact CZ-CB 3.95Å; F144-K170 HydrophobicContact CZ-CD 3.9Å |
| 171 | I | 91.3 | Very high | 84.7 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 157.6 | -179.4 | 61.4 | 169.8 | 0 | 0 | 0 | 109.6 | D25 F26 V27 D28 R169 F173 | D25-I171 HydrophobicContact CB-CD1 3.91Å; D25-I171 HydrophobicContact CB-CG1 4.36Å; F26-I171 PolarHBondContact O-N 2.66Å; V27-I171 CarbonylContact C-O 3.56Å; V27-I171 WeakPolarHBondContact CA-O 3.44Å; V27-I171 HydrophobicContact CG2-CD1 4.19Å; V27-I171 HydrophobicContact CG2-CG1 4.15Å; D28-I171 PolarHBondContact N-O 2.83Å; R169-I171 HydrophobicContact CB-CG2 3.93Å; I171-F173 HydrophobicContact CD1-CE1 3.79Å; I171-F173 HydrophobicContact CD1-CZ 3.81Å |
| 172 | Q | 88.3 | Confident | 85 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.9 | 178.2 | -162.1 | 163.7 | 39.7 | 0 | 0 | 109.8 | D28 S303 I305 M347 | D28-Q172 HydrophobicContact CB-CB 4.45Å; D28-Q172 HydrophobicContact CB-CG 4.31Å; Q172-S303 PolarHBondContact OE1-O 2.87Å; Q172-I305 PolarHBondContact NE2-O 2.8Å; Q172-M347 HydrophobicContact CB-CE 4.22Å; Q172-M347 HydrophobicContact CG-CE 3.81Å |
| 173 | F | 84.4 | Confident | 85.4 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 160 | 171.2 | -67.9 | -32.3 | 0 | 0 | 0 | 110.8 | V27 I171 M347 N348 P349 S351 L357 | V27-F173 HydrophobicContact CB-CD2 4.28Å; V27-F173 HydrophobicContact CB-CE2 4.2Å; V27-F173 HydrophobicContact CG1-CB 4.35Å; V27-F173 HydrophobicContact CG1-CD2 3.33Å; V27-F173 HydrophobicContact CG1-CE2 3.73Å; V27-F173 HydrophobicContact CG1-CG 3.92Å; V27-F173 HydrophobicContact CG2-CD2 3.92Å; V27-F173 HydrophobicContact CG2-CE2 3.35Å; V27-F173 HydrophobicContact CG2-CZ 3.85Å; I171-F173 HydrophobicContact CD1-CE1 3.79Å; I171-F173 HydrophobicContact CD1-CZ 3.81Å; F173-M347 VanDerWaalsContact O-CE 3.22Å; F173-M347 WeakPolarHBondContact O-CE 3.38Å; F173-N348 HydrophobicContact CD1-CB 3.64Å; F173-N348 HydrophobicContact CE1-CB 3.82Å; F173-P349 WeakPolarHBondContact CD1-O 3.31Å; F173-S351 WeakPolarHBondContact CE2-OG 3.32Å; F173-L357 HydrophobicContact CZ-CD1 3.96Å |
| 174 | S | 81.2 | Confident | 85.6 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | trans | -56.7 | 135.8 | 174.4 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | Y209 N348 | S174-Y209 VanDerWaalsContact OG-CE1 3.25Å; S174-Y209 WeakPolarHBondContact OG-CE1 3.49Å; S174-Y209 PolarHBondContact OG-OH 2.87Å; S174-N348 PolarHBondContact N-O 2.82Å; S174-N348 VanDerWaalsContact N-O 3.1Å | ||
| 175 | P | 77.1 | Confident | 85.7 | Confident | 47 Ų | 47 | 55 Ų | 55 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | trans | -63.5 | 176.9 | 163.1 | 31.6 | -35 | 0 | 0 | 0 | 109.6 | N177 I305 | P175-N177 PolarHBondContact O-N 2.7Å; P175-I305 HydrophobicContact CG-CD1 3.79Å | ||
| 176 | E | 69.3 | Low | 85.9 | Confident | 164 Ų | 164 | 55.8 Ų | 55.8 | 77% | 0.766 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -56.2 | 140.5 | 171 | -66.4 | -175.2 | 171.2 | 0 | 0 | 110.4 | T178 | E176-T178 PolarHBondContact O-N 2.8Š|
| 177 | N | 65.7 | Low | 86.2 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 122.1 | -173.5 | -76.7 | -30.4 | 0 | 0 | 0 | 110.3 | P175 E179 | P175-N177 PolarHBondContact O-N 2.7Å; N177-E179 PolarHBondContact O-N 3.29Å |
| 178 | T | 64.2 | Low | 86.3 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 127.9 | 162.8 | -33.2 | 0 | 0 | 0 | 0 | 108.6 | E176 V180 E206 | E176-T178 PolarHBondContact O-N 2.8Å; T178-V180 HydrophobicContact CG2-CB 4.12Å; T178-V180 HydrophobicContact CG2-CG2 4.1Å; T178-V180 PolarHBondContact O-N 3.01Å; T178-E206 WeakPolarHBondContact CB-OE2 3.19Å; T178-E206 PolarHBondContact OG1-OE2 2.79Å |
| 179 | E | 67.9 | Low | 86.4 | Confident | 197 Ų | 197 | 67.7 Ų | 67.7 | 92% | 0.921 | 35% | 0.352 | S | S | * | . | trans | -74.6 | -3.3 | 176.3 | -64.6 | -168.4 | 162.3 | 0 | 0 | 113.4 | N177 A181 | N177-E179 PolarHBondContact O-N 3.29Å; E179-A181 PolarHBondContact O-N 2.8Å | ||
| 180 | V | 78.6 | Confident | 86.3 | Confident | 105 Ų | 105 | 67 Ų | 67 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | trans | -84.3 | 115.4 | -176.7 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | T178 | T178-V180 HydrophobicContact CG2-CB 4.12Å; T178-V180 HydrophobicContact CG2-CG2 4.1Å; T178-V180 PolarHBondContact O-N 3.01Å | ||
| 181 | A | 87 | Confident | 85.9 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | trans | -69.7 | 120 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E179 L203 | E179-A181 PolarHBondContact O-N 2.8Å; A181-L203 WeakPolarHBondContact CB-O 3.32Å | ||
| 182 | P | 93.9 | Very high | 85.5 | Confident | 23 Ų | 23 | 80.8 Ų | 80.8 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | trans | -76.9 | 141.1 | 180 | 33.6 | -36 | 0 | 0 | 0 | 110.4 | L203 K205 V342 | P182-L203 HydrophobicContact CG-CB 3.92Å; P182-L203 HydrophobicContact CG-CD1 4.17Å; P182-L203 HydrophobicContact CG-CG 4.38Å; P182-L203 PolarHBondContact O-N 3.13Å; P182-K205 VanDerWaalsContact CD-C 3.42Å; P182-K205 WeakPolarHBondContact CD-O 3.41Å; P182-V342 HydrophobicContact CB-CG1 3.78Å; P182-V342 HydrophobicContact CG-CG1 4.05Å | ||
| 183 | F | 96.3 | Very high | 85.5 | Confident | 127 Ų | 127 | 81.4 Ų | 81.4 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 160.7 | 177.2 | 73.2 | -83.1 | 0 | 0 | 0 | 111.4 | D185 L201 T202 | F183-D185 HydrophobicContact CD2-CB 4.19Å; F183-D185 HydrophobicContact CE2-CB 4.15Å; F183-L201 CarbonylContact C-O 3.5Å; F183-L201 WeakPolarHBondContact CA-O 3.36Å; F183-L201 WeakPolarHBondContact CB-O 3.39Å; F183-T202 HydrophobicContact CB-CG2 4.1Å; F183-T202 WeakPolarHBondContact CB-OG1 3.3Å |
| 184 | A | 97.4 | Very high | 85.8 | Confident | 12 Ų | 12 | 90.4 Ų | 90.4 | 10% | 0.099 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | K200 L201 V340 V342 | A184-K200 CarbonylContact O-C 3.53Å; A184-K200 VanDerWaalsContact O-CA 3.3Å; A184-K200 WeakPolarHBondContact O-CA 3.29Å; A184-L201 PolarHBondContact N-O 3.49Å; A184-L201 PolarHBondContact O-N 3.12Å; A184-V340 HydrophobicContact CB-CG1 3.57Å; A184-V342 HydrophobicContact CB-CG2 3.58Å |
| 185 | D | 97.3 | Very high | 86.5 | Confident | 85 Ų | 85 | 96.4 Ų | 96.4 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 113 | 178.9 | -164.7 | -22.1 | 0 | 0 | 0 | 107.6 | F183 K200 | F183-D185 HydrophobicContact CD2-CB 4.19Å; F183-D185 HydrophobicContact CE2-CB 4.15Å; D185-K200 HydrophobicContact CB-CG 4.39Å |
| 186 | M | 97.4 | Very high | 87.4 | Confident | 98 Ų | 98 | 95.6 Ų | 95.6 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.2 | -168.9 | -67.2 | -67 | 179.2 | 0 | 0 | 110.7 | F188 V199 V340 | M186-F188 HydrophobicContact CB-CD2 4.48Å; M186-F188 HydrophobicContact CB-CE2 3.62Å; M186-F188 HydrophobicContact CB-CZ 3.8Å; M186-F188 HydrophobicContact CG-CZ 4.5Å; M186-V199 PolarHBondContact N-O 3.18Å; M186-V199 PolarHBondContact O-N 2.79Å; M186-V340 HydrophobicContact CB-CG2 4.15Å; M186-V340 HydrophobicContact CG-CG1 4.33Å; M186-V340 HydrophobicContact CG-CG2 4.25Å |
| 187 | T | 97.5 | Very high | 88.8 | Confident | 77 Ų | 77 | 87.8 Ų | 87.8 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.5 | 177 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | P196 L197 H198 | T187-P196 HydrophobicContact CG2-CB 3.53Å; T187-P196 HydrophobicContact CG2-CG 4.05Å; T187-L197 WeakPolarHBondContact CA-O 3.24Å; T187-H198 WeakPolarHBondContact CG2-CE1 3.46Å; T187-H198 WeakPolarHBondContact CG2-ND1 3.44Å; T187-H198 PolarHBondContact OG1-CE1 2.82Å; T187-H198 VanDerWaalsContact OG1-CE1 3.29Å; T187-H198 PolarHBondContact OG1-ND1 2.72Å |
| 188 | F | 96.6 | Very high | 90.3 | Very high | 50 Ų | 50 | 86.6 Ų | 86.6 | 22% | 0.219 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.6 | -179.4 | -59.4 | -85.6 | 0 | 0 | 0 | 110.3 | M186 F190 P196 L197 V199 V338 V340 | M186-F188 HydrophobicContact CB-CD2 4.48Å; M186-F188 HydrophobicContact CB-CE2 3.62Å; M186-F188 HydrophobicContact CB-CZ 3.8Å; M186-F188 HydrophobicContact CG-CZ 4.5Å; F188-F190 HydrophobicContact CB-CE1 4.45Å; F188-F190 HydrophobicContact CB-CE2 4.35Å; F188-F190 HydrophobicContact CB-CZ 3.95Å; F188-P196 CarbonylContact O-C 3.59Å; F188-P196 WeakPolarHBondContact O-CA 3.37Å; F188-P196 WeakPolarHBondContact O-CB 3.28Å; F188-L197 HydrophobicContact CB-CB 4.35Å; F188-L197 HydrophobicContact CD2-CD2 4.38Å; F188-L197 PolarHBondContact N-O 2.99Å; F188-L197 PolarHBondContact O-N 3.21Å; F188-V199 HydrophobicContact CD2-CG2 4.04Å; F188-V199 HydrophobicContact CE2-CB 4.2Å; F188-V199 HydrophobicContact CE2-CG2 3.98Å; F188-V338 HydrophobicContact CD1-CG1 3.88Å; F188-V338 HydrophobicContact CD2-CG1 3.57Å; F188-V338 HydrophobicContact CE1-CG1 3.69Å; F188-V338 HydrophobicContact CE2-CG1 3.36Å; F188-V338 HydrophobicContact CG-CG1 3.82Å; F188-V338 HydrophobicContact CZ-CG1 3.42Å; F188-V338 VanDerWaalsContact CZ-CG1 3.42Å; F188-V340 HydrophobicContact CE2-CG2 3.84Å; F188-V340 HydrophobicContact CZ-CG2 3.86Å |
| 189 | E | 94.7 | Very high | 92 | Very high | 165 Ų | 165 | 83.7 Ų | 83.7 | 77% | 0.771 | 42% | 0.424 | S | S | * | . | trans | -105.1 | 141.5 | 173.3 | -65.6 | -179.4 | 174.7 | 0 | 0 | 109.5 | P196 | E189-P196 HydrophobicContact CG-CB 4.27Š| ||
| 190 | F | 91.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 77.6 Ų | 77.6 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | trans | -122.7 | 145.1 | -178.1 | -56.8 | -71.8 | 0 | 0 | 0 | 110.6 | F188 M192 S193 L197 R226 A329 V338 | F188-F190 HydrophobicContact CB-CE1 4.45Å; F188-F190 HydrophobicContact CB-CE2 4.35Å; F188-F190 HydrophobicContact CB-CZ 3.95Å; F190-M192 PolarHBondContact O-N 3.45Å; F190-S193 WeakPolarHBondContact O-CB 3.24Å; F190-S193 PolarHBondContact O-N 2.85Å; F190-L197 HydrophobicContact CE2-CB 3.7Å; F190-L197 HydrophobicContact CE2-CD2 4.08Å; F190-L197 HydrophobicContact CZ-CB 4.31Å; F190-L197 HydrophobicContact CZ-CD2 3.94Å; F190-R226 HydrophobicContact CB-CG 4.14Å; F190-R226 HydrophobicContact CD2-CB 4.46Å; F190-R226 HydrophobicContact CD2-CG 3.84Å; F190-R226 HydrophobicContact CE2-CG 4.41Å; F190-R226 HydrophobicContact CG-CG 3.97Å; F190-A329 HydrophobicContact CD1-CB 4.46Å; F190-A329 HydrophobicContact CE1-CB 3.69Å; F190-A329 HydrophobicContact CE2-CB 4.12Å; F190-A329 HydrophobicContact CZ-CB 3.49Å; F190-A329 VanDerWaalsContact CZ-CB 3.49Å; F190-V338 HydrophobicContact CE1-CG2 3.96Å; F190-V338 HydrophobicContact CZ-CG2 3.82Å | ||
| 191 | L | 86.6 | Confident | 94.3 | Very high | 147 Ų | 147 | 72.6 Ų | 72.6 | 77% | 0.77 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 135.2 | 172.2 | -166.7 | 71 | 0 | 0 | 0 | 110.2 | S193 R226 | L191-S193 VanDerWaalsContact C-N 3.26Å; L191-S193 PolarHBondContact O-N 3.46Å; L191-R226 PolarHBondContact O-NH2 2.82Å |
| 192 | M | 82.9 | Confident | 94.9 | Very high | 157 Ų | 157 | 72.3 Ų | 72.3 | 77% | 0.773 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 22.4 | -175.2 | -45.9 | -61.8 | -109.2 | 0 | 0 | 114.7 | F190 S225 | F190-M192 PolarHBondContact O-N 3.45Å; M192-S225 PolarHBondContact O-OG 3.11Å |
| 193 | S | 88.6 | Confident | 95 | Very high | 20 Ų | 20 | 71.2 Ų | 71.2 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | trans | -121.8 | 121.1 | 168.2 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | F190 L191 K195 S224 S225 | F190-S193 WeakPolarHBondContact O-CB 3.24Å; F190-S193 PolarHBondContact O-N 2.85Å; L191-S193 VanDerWaalsContact C-N 3.26Å; L191-S193 PolarHBondContact O-N 3.46Å; S193-K195 VanDerWaalsContact C-N 3.27Å; S193-K195 PolarHBondContact O-N 2.88Å; S193-K195 PolarHBondContact OG-O 3.22Å; S193-S224 VanDerWaalsContact OG-CA 3.3Å; S193-S224 WeakPolarHBondContact OG-CA 3.41Å; S193-S224 WeakPolarHBondContact OG-CB 3.36Å; S193-S225 WeakPolarHBondContact CB-OG 3.49Å; S193-S225 PolarHBondContact OG-N 2.75Å; S193-S225 PolarHBondContact OG-OG 3.32Å | ||
| 194 | E | 90.2 | Very high | 94.9 | Very high | 201 Ų | 201 | 68.6 Ų | 68.6 | 94% | 0.939 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -75.2 | -19.2 | 178 | -64.3 | -178.1 | 173.7 | 0 | 0 | 113.1 | ||
| 195 | K | 95.6 | Very high | 94.7 | Very high | 132 Ų | 132 | 70.4 Ų | 70.4 | 57% | 0.574 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -120 | 150.5 | -176.8 | -70.4 | -176.9 | -176.3 | -179.4 | 0 | 111.2 | S193 S223 S224 | S193-K195 VanDerWaalsContact C-N 3.27Å; S193-K195 PolarHBondContact O-N 2.88Å; S193-K195 PolarHBondContact OG-O 3.22Å; K195-S223 WeakPolarHBondContact CB-O 3.34Å; K195-S224 VanDerWaalsContact O-CA 3.29Å; K195-S224 WeakPolarHBondContact O-CA 3.26Å; K195-S224 WeakPolarHBondContact O-CB 3.4Å |
| 196 | P | 96.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 68.6 Ų | 68.6 | 20% | 0.195 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 169.8 | -175.3 | 35.6 | -37.7 | 0 | 0 | 0 | 113.5 | T187 F188 E189 H198 S223 S224 | T187-P196 HydrophobicContact CG2-CB 3.53Å; T187-P196 HydrophobicContact CG2-CG 4.05Å; F188-P196 CarbonylContact O-C 3.59Å; F188-P196 WeakPolarHBondContact O-CA 3.37Å; F188-P196 WeakPolarHBondContact O-CB 3.28Å; E189-P196 HydrophobicContact CG-CB 4.27Å; P196-H198 WeakPolarHBondContact CG-NE2 3.44Å; P196-S223 CarbonylContact O-C 3.49Å; P196-S223 WeakPolarHBondContact O-CA 3.16Å; P196-S223 WeakPolarHBondContact O-CB 3.24Å; P196-S223 PolarHBondContact O-N 3.44Å; P196-S224 PolarHBondContact O-N 2.82Å; P196-S224 VanDerWaalsContact O-N 3.16Å |
| 197 | L | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.1 | 162.5 | 171.6 | 74.1 | 0 | 0 | 0 | 108.5 | T187 F188 F190 V199 I220 N222 I228 V338 | T187-L197 WeakPolarHBondContact CA-O 3.24Å; F188-L197 HydrophobicContact CB-CB 4.35Å; F188-L197 HydrophobicContact CD2-CD2 4.38Å; F188-L197 PolarHBondContact N-O 2.99Å; F188-L197 PolarHBondContact O-N 3.21Å; F190-L197 HydrophobicContact CE2-CB 3.7Å; F190-L197 HydrophobicContact CE2-CD2 4.08Å; F190-L197 HydrophobicContact CZ-CB 4.31Å; F190-L197 HydrophobicContact CZ-CD2 3.94Å; L197-V199 HydrophobicContact CD1-CG2 4.42Å; L197-V199 HydrophobicContact CD2-CG2 3.95Å; L197-V199 HydrophobicContact CG-CG2 3.84Å; L197-I220 HydrophobicContact CD1-CG2 3.57Å; L197-N222 HydrophobicContact CD1-CB 3.71Å; L197-I228 HydrophobicContact CD1-CD1 4.02Å; L197-I228 HydrophobicContact CD1-CG1 3.95Å; L197-I228 HydrophobicContact CD2-CD1 3.67Å; L197-I228 HydrophobicContact CD2-CG1 4.35Å; L197-I228 HydrophobicContact CG-CD1 4.44Å; L197-V338 HydrophobicContact CD2-CG1 4.47Å; L197-V338 HydrophobicContact CD2-CG2 4.43Å |
| 198 | H | 98.3 | Very high | 94 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.329 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.2 | 172 | -62 | -76.5 | 0 | 0 | 0 | 110.1 | T187 P196 I220 T221 | T187-H198 WeakPolarHBondContact CG2-CE1 3.46Å; T187-H198 WeakPolarHBondContact CG2-ND1 3.44Å; T187-H198 PolarHBondContact OG1-CE1 2.82Å; T187-H198 VanDerWaalsContact OG1-CE1 3.29Å; T187-H198 PolarHBondContact OG1-ND1 2.72Å; P196-H198 WeakPolarHBondContact CG-NE2 3.44Å; H198-I220 WeakPolarHBondContact O-CA 3.3Å; H198-T221 PolarHBondContact N-O 2.68Å; H198-T221 PolarHBondContact O-N 2.54Å |
| 199 | V | 98.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 123.5 | -177.7 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | M186 F188 L197 E219 I220 L325 M327 V340 | M186-V199 PolarHBondContact N-O 3.18Å; M186-V199 PolarHBondContact O-N 2.79Å; F188-V199 HydrophobicContact CD2-CG2 4.04Å; F188-V199 HydrophobicContact CE2-CB 4.2Å; F188-V199 HydrophobicContact CE2-CG2 3.98Å; L197-V199 HydrophobicContact CD1-CG2 4.42Å; L197-V199 HydrophobicContact CD2-CG2 3.95Å; L197-V199 HydrophobicContact CG-CG2 3.84Å; V199-E219 CarbonylContact C-O 3.59Å; V199-E219 WeakPolarHBondContact CA-O 3.46Å; V199-I220 HydrophobicContact CG1-CG1 4.47Å; V199-L325 HydrophobicContact CG1-CD2 3.63Å; V199-M327 HydrophobicContact CB-CE 4.19Å; V199-M327 HydrophobicContact CG1-CE 3.67Å; V199-M327 HydrophobicContact CG2-CE 3.49Å; V199-M327 VanDerWaalsContact CG2-CE 3.49Å; V199-V340 HydrophobicContact CB-CG2 4.06Å; V199-V340 HydrophobicContact CG1-CB 4.45Å; V199-V340 HydrophobicContact CG1-CG2 3.72Å |
| 200 | K | 98.3 | Very high | 93.8 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 30% | 0.296 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.2 | 174.2 | -178 | 177.8 | -177.8 | 176.4 | 0 | 110.5 | A184 D185 E219 | A184-K200 CarbonylContact O-C 3.53Å; A184-K200 VanDerWaalsContact O-CA 3.3Å; A184-K200 WeakPolarHBondContact O-CA 3.29Å; D185-K200 HydrophobicContact CB-CG 4.39Å; K200-E219 HydrophobicContact CB-CB 4.25Å; K200-E219 PolarHBondContact N-O 2.75Å; K200-E219 PolarHBondContact O-N 3.45Å |
| 201 | L | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.9 | 175.4 | 175 | 62.3 | 0 | 0 | 0 | 108.1 | F183 A184 A216 N217 V218 V323 L325 V340 V342 | F183-L201 CarbonylContact C-O 3.5Å; F183-L201 WeakPolarHBondContact CA-O 3.36Å; F183-L201 WeakPolarHBondContact CB-O 3.39Å; A184-L201 PolarHBondContact N-O 3.49Å; A184-L201 PolarHBondContact O-N 3.12Å; L201-A216 HydrophobicContact CD1-CB 4.01Å; L201-N217 CarbonylContact C-O 3.6Å; L201-N217 WeakPolarHBondContact CA-O 3.23Å; L201-V218 HydrophobicContact CD1-CG2 3.79Å; L201-V323 HydrophobicContact CD1-CG1 4.46Å; L201-V323 HydrophobicContact CD2-CG1 4.15Å; L201-L325 HydrophobicContact CD2-CB 4.12Å; L201-V340 HydrophobicContact CB-CG1 3.99Å; L201-V340 HydrophobicContact CD2-CG1 4.45Å; L201-V342 HydrophobicContact CB-CG2 4Å; L201-V342 HydrophobicContact CD2-CB 4.18Å; L201-V342 HydrophobicContact CD2-CG2 3.75Å; L201-V342 HydrophobicContact CG-CB 4.38Å; L201-V342 HydrophobicContact CG-CG2 3.69Å; L201-V342 WeakPolarHBondContact O-CG2 3.43Å |
| 202 | T | 97.7 | Very high | 94.1 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 20% | 0.202 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.9 | -176.7 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | F183 N217 | F183-T202 HydrophobicContact CB-CG2 4.1Å; F183-T202 WeakPolarHBondContact CB-OG1 3.3Å; T202-N217 PolarHBondContact N-O 3.02Å; T202-N217 PolarHBondContact O-N 2.76Å |
| 203 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -107.3 | 148.2 | 169.9 | -51.6 | 176.7 | 0 | 0 | 0 | 109.7 | A181 P182 K205 F208 V214 A216 V323 V342 F344 | A181-L203 WeakPolarHBondContact CB-O 3.32Å; P182-L203 HydrophobicContact CG-CB 3.92Å; P182-L203 HydrophobicContact CG-CD1 4.17Å; P182-L203 HydrophobicContact CG-CG 4.38Å; P182-L203 PolarHBondContact O-N 3.13Å; L203-K205 PolarHBondContact O-N 3.1Å; L203-F208 HydrophobicContact CB-CE2 4.41Å; L203-F208 HydrophobicContact CB-CZ 4.42Å; L203-F208 HydrophobicContact CD1-CE2 4.32Å; L203-V214 HydrophobicContact CD2-CG1 4.26Å; L203-A216 HydrophobicContact CD2-CB 3.76Å; L203-V323 HydrophobicContact CD1-CG2 4.07Å; L203-V323 HydrophobicContact CD2-CB 4.39Å; L203-V323 HydrophobicContact CD2-CG2 3.91Å; L203-V342 HydrophobicContact CD1-CB 4.43Å; L203-V342 HydrophobicContact CD1-CG1 3.8Å; L203-V342 HydrophobicContact CG-CG1 3.97Å; L203-F344 HydrophobicContact CD1-CB 3.8Å; L203-F344 HydrophobicContact CD1-CD1 4.17Å; L203-F344 HydrophobicContact CD1-CG 4.2Å | ||
| 204 | P | 94.3 | Very high | 95.2 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 47% | 0.474 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -66.7 | -24 | -178.9 | 26.1 | -35.7 | 0 | 0 | 0 | 113.6 | F208 K215 | P204-F208 HydrophobicContact CG-CE1 4.34Å; P204-F208 HydrophobicContact CG-CZ 4.01Å; P204-K215 WeakPolarHBondContact CD-O 3.41Å |
| 205 | K | 92.4 | Very high | 95.5 | Very high | 49 Ų | 49 | 39.8 Ų | 39.8 | 21% | 0.213 | 21% | 0.208 | C | C | . | . | trans | -156.5 | 161.3 | -178.4 | 60.8 | -178.8 | -177.1 | 162.6 | 0 | 111.5 | P182 L203 T207 F208 E212 | P182-K205 VanDerWaalsContact CD-C 3.42Å; P182-K205 WeakPolarHBondContact CD-O 3.41Å; L203-K205 PolarHBondContact O-N 3.1Å; K205-T207 WeakPolarHBondContact CD-O 3.43Å; K205-T207 WeakPolarHBondContact CE-O 3.27Å; K205-T207 PolarHBondContact NZ-O 3.1Å; K205-F208 HydrophobicContact CG-CD2 4.41Å; K205-F208 HydrophobicContact CG-CE1 4.11Å; K205-F208 HydrophobicContact CG-CE2 4.02Å; K205-F208 HydrophobicContact CG-CZ 3.86Å; K205-F208 WeakPolarHBondContact O-CE2 2.99Å; K205-E212 WeakPolarHBondContact CE-OE1 3.42Å; K205-E212 WeakPolarHBondContact CE-OE2 3.46Å; K205-E212 IonicContact NZ-OE1 3.16Å; K205-E212 PolarHBondContact NZ-OE1 3.28Å; K205-E212 IonicContact NZ-OE2 3.68Å; K205-E212 PolarHBondContact NZ-OE2 2.88Å | ||
| 206 | E | 91.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -78.6 | -34.5 | 179 | -164.6 | -165.1 | 160.1 | 0 | 0 | 112.8 | T178 F344 K345 | T178-E206 WeakPolarHBondContact CB-OE2 3.19Å; T178-E206 PolarHBondContact OG1-OE2 2.79Å; E206-F344 CarbonylContact O-C 3.59Å; E206-F344 WeakPolarHBondContact O-CA 3.41Å; E206-F344 WeakPolarHBondContact O-CB 3.42Å; E206-K345 PolarHBondContact O-N 3.31Å; E206-K345 VanDerWaalsContact OE1-CE 3.29Å; E206-K345 WeakPolarHBondContact OE1-CE 3.47Å; E206-K345 IonicContact OE1-NZ 2.8Å; E206-K345 PolarHBondContact OE1-NZ 3.16Å; E206-K345 IonicContact OE2-NZ 4Å |
| 207 | T | 92.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123 | -174 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | K205 K345 M347 | K205-T207 WeakPolarHBondContact CD-O 3.43Å; K205-T207 WeakPolarHBondContact CE-O 3.27Å; K205-T207 PolarHBondContact NZ-O 3.1Å; T207-K345 CarbonylContact C-O 3.54Å; T207-K345 WeakPolarHBondContact CA-O 3.47Å; T207-K345 HydrophobicContact CG2-CB 4.23Å; T207-M347 HydrophobicContact CG2-CG 4.43Å; T207-M347 HydrophobicContact CG2-SD 4.38Å |
| 208 | F | 93.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 148.7 | 174 | -68.1 | -95.2 | 0 | 0 | 0 | 110.4 | L203 P204 K205 E212 V214 F344 K345 L346 M347 | L203-F208 HydrophobicContact CB-CE2 4.41Å; L203-F208 HydrophobicContact CB-CZ 4.42Å; L203-F208 HydrophobicContact CD1-CE2 4.32Å; P204-F208 HydrophobicContact CG-CE1 4.34Å; P204-F208 HydrophobicContact CG-CZ 4.01Å; K205-F208 HydrophobicContact CG-CD2 4.41Å; K205-F208 HydrophobicContact CG-CE1 4.11Å; K205-F208 HydrophobicContact CG-CE2 4.02Å; K205-F208 HydrophobicContact CG-CZ 3.86Å; K205-F208 WeakPolarHBondContact O-CE2 2.99Å; F208-E212 HydrophobicContact CD1-CG 4.36Å; F208-V214 HydrophobicContact CB-CG2 4.48Å; F208-V214 HydrophobicContact CD1-CG2 4.04Å; F208-V214 HydrophobicContact CD2-CG2 4.47Å; F208-V214 HydrophobicContact CE1-CB 4.44Å; F208-V214 HydrophobicContact CE1-CG1 4.38Å; F208-V214 HydrophobicContact CE1-CG2 4.39Å; F208-V214 HydrophobicContact CE2-CG1 4.32Å; F208-V214 HydrophobicContact CG-CG2 4.08Å; F208-V214 HydrophobicContact CZ-CG1 4.13Å; F208-F344 HydrophobicContact CB-CD2 4.44Å; F208-F344 HydrophobicContact CB-CE2 4.43Å; F208-F344 HydrophobicContact CD2-CB 4.4Å; F208-F344 AromaticContact CD2-CD2 3.57Å; F208-F344 HydrophobicContact CD2-CD2 3.57Å; F208-F344 HydrophobicContact CD2-CE2 4.14Å; F208-F344 HydrophobicContact CD2-CG 4.23Å; F208-F344 HydrophobicContact CE2-CB 4.47Å; F208-F344 HydrophobicContact CE2-CD2 4.26Å; F208-F344 HydrophobicContact CG-CD2 4.36Å; F208-K345 PolarHBondContact N-O 2.86Å; F208-L346 HydrophobicContact CB-CD1 4.24Å; F208-L346 WeakPolarHBondContact O-CA 3.33Å; F208-M347 PolarHBondContact O-N 3.04Å |
| 209 | Y | 93.5 | Very high | 95.7 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 150.9 | 175.7 | -63.1 | -56.1 | 0 | 0 | 0 | 112.2 | S174 G211 E212 M347 P349 | S174-Y209 VanDerWaalsContact OG-CE1 3.25Å; S174-Y209 WeakPolarHBondContact OG-CE1 3.49Å; S174-Y209 PolarHBondContact OG-OH 2.87Å; Y209-G211 PolarHBondContact O-N 3.25Å; Y209-E212 PolarHBondContact N-OE2 2.58Å; Y209-E212 WeakPolarHBondContact O-CB 3.4Å; Y209-E212 PolarHBondContact O-N 3.13Å; Y209-M347 WeakPolarHBondContact CA-O 3.46Å; Y209-P349 HydrophobicContact CD1-CB 3.9Å; Y209-P349 VanDerWaalsContact CE1-CA 3.45Å; Y209-P349 HydrophobicContact CE1-CB 3.95Å; Y209-P349 HydrophobicContact CG-CB 4.23Å |
| 210 | H | 92.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 12% | 0.12 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 130.4 | 171 | -66.8 | -66.8 | 0 | 0 | 0 | 110.6 | E212 N299 L300 S302 M347 N348 | H210-E212 VanDerWaalsContact C-N 3.32Å; H210-N299 HydrophobicContact CB-CB 4.44Å; H210-L300 PolarHBondContact CE1-O 2.87Å; H210-L300 PolarHBondContact NE2-O 2.84Å; H210-S302 PolarHBondContact NE2-OG 3.18Å; H210-M347 VanDerWaalsContact CD2-C 3.43Å; H210-M347 PolarHBondContact CD2-O 3.16Å; H210-M347 VanDerWaalsContact CD2-O 3.29Å; H210-M347 PolarHBondContact N-O 2.81Å; H210-M347 VanDerWaalsContact N-O 3.14Å; H210-N348 PolarHBondContact CD2-OD1 3.24Å; H210-N348 VanDerWaalsContact CD2-OD1 3.28Å |
| 211 | G | 91.3 | Very high | 95.7 | Very high | 53 Ų | 53 | 34 Ų | 34 | 55% | 0.546 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -17.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y209 | Y209-G211 PolarHBondContact O-N 3.25Š|
| 212 | E | 94.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 34 Ų | 34 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | trans | -79.7 | 134.9 | 178 | -168.3 | -176.8 | 174.1 | 0 | 0 | 111.5 | K205 F208 Y209 H210 | K205-E212 WeakPolarHBondContact CE-OE1 3.42Å; K205-E212 WeakPolarHBondContact CE-OE2 3.46Å; K205-E212 IonicContact NZ-OE1 3.16Å; K205-E212 PolarHBondContact NZ-OE1 3.28Å; K205-E212 IonicContact NZ-OE2 3.68Å; K205-E212 PolarHBondContact NZ-OE2 2.88Å; F208-E212 HydrophobicContact CD1-CG 4.36Å; Y209-E212 PolarHBondContact N-OE2 2.58Å; Y209-E212 WeakPolarHBondContact O-CB 3.4Å; Y209-E212 PolarHBondContact O-N 3.13Å; H210-E212 VanDerWaalsContact C-N 3.32Å | ||
| 213 | P | 96.1 | Very high | 95.6 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 28% | 0.279 | 20% | 0.195 | S | C | . | . | trans | -68.2 | 137.8 | 173.4 | 26.4 | -32.6 | 0 | 0 | 0 | 112 | T273 Y275 | P213-T273 HydrophobicContact CB-CG2 3.62Å; P213-Y275 HydrophobicContact CB-CD1 4.22Å; P213-Y275 HydrophobicContact CB-CE1 3.81Å | ||
| 214 | V | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 106.8 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | L203 F208 L274 P276 V323 F344 | L203-V214 HydrophobicContact CD2-CG1 4.26Å; F208-V214 HydrophobicContact CB-CG2 4.48Å; F208-V214 HydrophobicContact CD1-CG2 4.04Å; F208-V214 HydrophobicContact CD2-CG2 4.47Å; F208-V214 HydrophobicContact CE1-CB 4.44Å; F208-V214 HydrophobicContact CE1-CG1 4.38Å; F208-V214 HydrophobicContact CE1-CG2 4.39Å; F208-V214 HydrophobicContact CE2-CG1 4.32Å; F208-V214 HydrophobicContact CG-CG2 4.08Å; F208-V214 HydrophobicContact CZ-CG1 4.13Å; V214-L274 HydrophobicContact CB-CB 4.44Å; V214-L274 PolarHBondContact N-O 2.82Å; V214-L274 PolarHBondContact O-N 2.88Å; V214-P276 HydrophobicContact CG2-CG 3.85Å; V214-V323 HydrophobicContact CG1-CG2 3.87Å; V214-F344 HydrophobicContact CG2-CE2 4.15Å; V214-F344 HydrophobicContact CG2-CZ 4.17Å |
| 215 | K | 96.8 | Very high | 95.5 | Very high | 87 Ų | 87 | 34.5 Ų | 34.5 | 38% | 0.378 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.7 | 176.4 | -64.3 | -178 | 169 | -151.6 | 0 | 110.5 | P204 E271 Y272 T273 | P204-K215 WeakPolarHBondContact CD-O 3.41Å; K215-E271 HydrophobicContact CB-CG 4.28Å; K215-E271 IonicContact NZ-OE1 3.81Å; K215-E271 PolarHBondContact NZ-OE1 2.89Å; K215-Y272 CarbonylContact C-O 3.55Å; K215-Y272 WeakPolarHBondContact CA-O 3.39Å; K215-T273 HydrophobicContact CG-CG2 4.41Å |
| 216 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L201 L203 L233 E271 Y272 V323 | L201-A216 HydrophobicContact CD1-CB 4.01Å; L203-A216 HydrophobicContact CD2-CB 3.76Å; A216-L233 HydrophobicContact CB-CD2 3.79Å; A216-E271 WeakPolarHBondContact O-CA 3.33Å; A216-Y272 PolarHBondContact N-O 3.12Å; A216-Y272 PolarHBondContact O-N 3.29Å; A216-V323 HydrophobicContact CB-CG1 4.27Å |
| 217 | N | 97.9 | Very high | 95.8 | Very high | 54 Ų | 54 | 33.9 Ų | 33.9 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.8 | 175.6 | -71.5 | -71.9 | 0 | 0 | 0 | 109.4 | L201 T202 | L201-N217 CarbonylContact C-O 3.6Å; L201-N217 WeakPolarHBondContact CA-O 3.23Å; T202-N217 PolarHBondContact N-O 3.02Å; T202-N217 PolarHBondContact O-N 2.76Å |
| 218 | V | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.9 | 179.2 | 174.8 | 0 | 0 | 0 | 0 | 108.8 | L201 I220 L233 K269 K270 Y272 L325 | L201-V218 HydrophobicContact CD1-CG2 3.79Å; V218-I220 HydrophobicContact CG1-CD1 4.02Å; V218-I220 HydrophobicContact CG1-CG1 3.8Å; V218-L233 HydrophobicContact CG2-CD1 4.45Å; V218-L233 HydrophobicContact CG2-CD2 3.97Å; V218-K269 WeakPolarHBondContact O-CA 3.38Å; V218-K270 PolarHBondContact N-O 2.79Å; V218-K270 PolarHBondContact O-N 2.84Å; V218-Y272 HydrophobicContact CB-CD2 4.11Å; V218-Y272 HydrophobicContact CB-CE2 3.82Å; V218-Y272 HydrophobicContact CG1-CE2 4.42Å; V218-Y272 HydrophobicContact CG2-CD2 3.7Å; V218-Y272 HydrophobicContact CG2-CE2 3.81Å; V218-L325 HydrophobicContact CG1-CD1 4.4Å; V218-L325 HydrophobicContact CG1-CD2 3.76Å; V218-L325 HydrophobicContact CG2-CD1 4.29Å; V218-L325 HydrophobicContact CG2-CD2 4.23Å |
| 219 | E | 98.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.3 | 172.8 | -61.7 | -178.3 | -178.6 | 0 | 0 | 108.8 | V199 K200 L268 K269 | V199-E219 CarbonylContact C-O 3.59Å; V199-E219 WeakPolarHBondContact CA-O 3.46Å; K200-E219 HydrophobicContact CB-CB 4.25Å; K200-E219 PolarHBondContact N-O 2.75Å; K200-E219 PolarHBondContact O-N 3.45Å; E219-L268 CarbonylContact C-O 3.49Å; E219-L268 WeakPolarHBondContact CA-O 3.19Å; E219-K269 HydrophobicContact CG-CB 4.39Å; E219-K269 HydrophobicContact CG-CD 3.97Å; E219-K269 HydrophobicContact CG-CG 3.94Å; E219-K269 WeakPolarHBondContact OE1-CE 3.49Å; E219-K269 IonicContact OE1-NZ 2.7Å; E219-K269 PolarHBondContact OE1-NZ 2.86Å |
| 220 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.1 | 178.1 | -56.8 | 177.2 | 0 | 0 | 0 | 107.6 | L197 H198 V199 V218 I231 V262 T267 L268 M327 | L197-I220 HydrophobicContact CD1-CG2 3.57Å; H198-I220 WeakPolarHBondContact O-CA 3.3Å; V199-I220 HydrophobicContact CG1-CG1 4.47Å; V218-I220 HydrophobicContact CG1-CD1 4.02Å; V218-I220 HydrophobicContact CG1-CG1 3.8Å; I220-I231 HydrophobicContact CD1-CD1 3.95Å; I220-V262 HydrophobicContact CB-CG2 4.32Å; I220-V262 HydrophobicContact CD1-CG2 4.11Å; I220-V262 HydrophobicContact CG2-CB 4.38Å; I220-V262 HydrophobicContact CG2-CG1 4.17Å; I220-V262 HydrophobicContact CG2-CG2 4.2Å; I220-T267 CarbonylContact O-C 3.6Å; I220-T267 WeakPolarHBondContact O-CA 3.45Å; I220-T267 WeakPolarHBondContact O-CB 3.37Å; I220-L268 HydrophobicContact CB-CB 4.31Å; I220-L268 HydrophobicContact CD1-CD2 4.22Å; I220-L268 PolarHBondContact N-O 2.91Å; I220-L268 PolarHBondContact O-N 2.79Å; I220-M327 HydrophobicContact CD1-SD 3.97Å |
| 221 | T | 98.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 98.2 | 171.6 | -59.6 | 0 | 0 | 0 | 0 | 108.6 | H198 S223 T267 | H198-T221 PolarHBondContact N-O 2.68Å; H198-T221 PolarHBondContact O-N 2.54Å; T221-S223 PolarHBondContact O-N 3.46Å; T221-T267 HydrophobicContact CG2-CG2 3.95Å |
| 222 | N | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 87.4 | -175 | -174.3 | 13.2 | 0 | 0 | 0 | 111.1 | L197 S224 R226 V262 P263 G265 T266 | L197-N222 HydrophobicContact CD1-CB 3.71Å; N222-S224 VanDerWaalsContact C-N 3.3Å; N222-S224 WeakPolarHBondContact OD1-CB 3.39Å; N222-S224 PolarHBondContact OD1-N 2.93Å; N222-S224 VanDerWaalsContact OD1-N 3.16Å; N222-S224 PolarHBondContact OD1-OG 3.04Å; N222-R226 PolarHBondContact ND2-O 2.95Å; N222-V262 HydrophobicContact CB-CG1 3.72Å; N222-V262 PolarHBondContact ND2-O 2.87Å; N222-P263 PolarHBondContact ND2-O 2.85Å; N222-G265 CarbonylContact O-C 3.58Å; N222-G265 WeakPolarHBondContact O-CA 3.46Å; N222-G265 PolarHBondContact O-N 2.93Å; N222-T266 WeakPolarHBondContact CB-O 3.47Å; N222-T266 PolarHBondContact N-O 2.8Å |
| 223 | S | 97 | Very high | 97 | Very high | 51 Ų | 51 | 35 Ų | 35 | 36% | 0.357 | 19% | 0.19 | S | C | . | . | trans | -85.1 | -7 | 171.3 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | K195 P196 T221 | K195-S223 WeakPolarHBondContact CB-O 3.34Å; P196-S223 CarbonylContact O-C 3.49Å; P196-S223 WeakPolarHBondContact O-CA 3.16Å; P196-S223 WeakPolarHBondContact O-CB 3.24Å; P196-S223 PolarHBondContact O-N 3.44Å; T221-S223 PolarHBondContact O-N 3.46Å | ||
| 224 | S | 95.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -73.6 | 167.5 | -176.2 | 84.3 | 0 | 0 | 0 | 0 | 113.1 | S193 K195 P196 N222 R226 S264 | S193-S224 VanDerWaalsContact OG-CA 3.3Å; S193-S224 WeakPolarHBondContact OG-CA 3.41Å; S193-S224 WeakPolarHBondContact OG-CB 3.36Å; K195-S224 VanDerWaalsContact O-CA 3.29Å; K195-S224 WeakPolarHBondContact O-CA 3.26Å; K195-S224 WeakPolarHBondContact O-CB 3.4Å; P196-S224 PolarHBondContact O-N 2.82Å; P196-S224 VanDerWaalsContact O-N 3.16Å; N222-S224 VanDerWaalsContact C-N 3.3Å; N222-S224 WeakPolarHBondContact OD1-CB 3.39Å; N222-S224 PolarHBondContact OD1-N 2.93Å; N222-S224 VanDerWaalsContact OD1-N 3.16Å; N222-S224 PolarHBondContact OD1-OG 3.04Å; S224-R226 PolarHBondContact O-N 2.89Å; S224-R226 PolarHBondContact OG-N 2.87Å; S224-R226 VanDerWaalsContact OG-N 3.16Å; S224-S264 VanDerWaalsContact O-CB 3.31Å; S224-S264 WeakPolarHBondContact O-CB 3.48Å; S224-S264 PolarHBondContact O-OG 2.82Å |
| 225 | S | 93.6 | Very high | 97.2 | Very high | 64 Ų | 64 | 33.3 Ų | 33.3 | 45% | 0.448 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -79.6 | 1.3 | 172.4 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | M192 S193 | M192-S225 PolarHBondContact O-OG 3.11Å; S193-S225 WeakPolarHBondContact CB-OG 3.49Å; S193-S225 PolarHBondContact OG-N 2.75Å; S193-S225 PolarHBondContact OG-OG 3.32Å |
| 226 | R | 94.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -96.1 | 148.7 | -178 | -57.3 | -70 | 177.6 | 159.6 | -4.4 | 110.9 | F190 L191 N222 S224 A329 S330 G331 V333 G334 | F190-R226 HydrophobicContact CB-CG 4.14Å; F190-R226 HydrophobicContact CD2-CB 4.46Å; F190-R226 HydrophobicContact CD2-CG 3.84Å; F190-R226 HydrophobicContact CE2-CG 4.41Å; F190-R226 HydrophobicContact CG-CG 3.97Å; L191-R226 PolarHBondContact O-NH2 2.82Å; N222-R226 PolarHBondContact ND2-O 2.95Å; S224-R226 PolarHBondContact O-N 2.89Å; S224-R226 PolarHBondContact OG-N 2.87Å; S224-R226 VanDerWaalsContact OG-N 3.16Å; R226-A329 HydrophobicContact CB-CB 4.17Å; R226-S330 CarbonylContact C-O 3.56Å; R226-S330 WeakPolarHBondContact CA-O 3.08Å; R226-G331 VanDerWaalsContact CD-CA 3.42Å; R226-V333 PolarHBondContact NH1-O 2.83Å; R226-G334 PolarHBondContact NH1-O 2.84Å |
| 227 | N | 95.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 30.4 Ų | 30.4 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.7 | 170.1 | -69.7 | -37.7 | 0 | 0 | 0 | 109.7 | P263 S264 S330 | N227-P263 WeakPolarHBondContact OD1-CA 3.4Å; N227-S264 PolarHBondContact OD1-N 3.43Å; N227-S330 PolarHBondContact N-O 2.95Å; N227-S330 PolarHBondContact O-N 2.8Å |
| 228 | I | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128 | 177.6 | -49 | -51.9 | 0 | 0 | 0 | 109.6 | L197 I231 S261 V262 M327 I328 A329 | L197-I228 HydrophobicContact CD1-CD1 4.02Å; L197-I228 HydrophobicContact CD1-CG1 3.95Å; L197-I228 HydrophobicContact CD2-CD1 3.67Å; L197-I228 HydrophobicContact CD2-CG1 4.35Å; L197-I228 HydrophobicContact CG-CD1 4.44Å; I228-I231 HydrophobicContact CG2-CD1 4.15Å; I228-I231 HydrophobicContact CG2-CG1 4.06Å; I228-S261 WeakPolarHBondContact O-CA 3.39Å; I228-S261 WeakPolarHBondContact O-CB 3.44Å; I228-V262 HydrophobicContact CB-CB 3.97Å; I228-V262 HydrophobicContact CG1-CB 4.24Å; I228-V262 PolarHBondContact N-O 2.89Å; I228-V262 PolarHBondContact O-N 2.86Å; I228-M327 HydrophobicContact CG2-CB 3.74Å; I228-M327 HydrophobicContact CG2-CG 3.78Å; I228-M327 HydrophobicContact CG2-SD 3.42Å; I228-M327 WeakPolarHBondContact CG2-SD 3.4Å; I228-I328 WeakPolarHBondContact CA-O 3.46Å; I228-A329 HydrophobicContact CD1-CB 3.71Å |
| 229 | K | 96.1 | Very high | 97.2 | Very high | 100 Ų | 100 | 28.1 Ų | 28.1 | 44% | 0.435 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 175 | -179.7 | -61.5 | -174.8 | 177.4 | -175.5 | 0 | 110.6 | I231 I328 | K229-I231 PolarHBondContact O-N 3.48Å; K229-I328 PolarHBondContact N-O 3.27Å; K229-I328 PolarHBondContact O-N 3.22Å |
| 230 | D | 95.8 | Very high | 97 | Very high | 105 Ų | 105 | 27.6 Ų | 27.6 | 56% | 0.561 | 15% | 0.154 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 42.8 | 173.7 | -53.4 | -29 | 0 | 0 | 0 | 112.6 | S232 I328 | D230-S232 PolarHBondContact O-N 3.4Å; D230-I328 HydrophobicContact CB-CB 4.47Å; D230-I328 HydrophobicContact CB-CD1 4.18Å; D230-I328 HydrophobicContact CB-CG1 4.14Å; D230-I328 WeakPolarHBondContact OD2-CD1 3.43Å |
| 231 | I | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 121.1 | 179.2 | -61.4 | 172.9 | 0 | 0 | 0 | 108 | I220 I228 K229 T258 D260 V262 L268 L325 K326 M327 | I220-I231 HydrophobicContact CD1-CD1 3.95Å; I228-I231 HydrophobicContact CG2-CD1 4.15Å; I228-I231 HydrophobicContact CG2-CG1 4.06Å; K229-I231 PolarHBondContact O-N 3.48Å; I231-T258 WeakPolarHBondContact CB-OG1 3.46Å; I231-T258 WeakPolarHBondContact O-CB 3.5Å; I231-T258 WeakPolarHBondContact O-CG2 3.3Å; I231-T258 PolarHBondContact O-N 2.86Å; I231-T258 VanDerWaalsContact O-N 3.08Å; I231-T258 PolarHBondContact O-OG1 3.32Å; I231-D260 HydrophobicContact CD1-CB 4.26Å; I231-V262 HydrophobicContact CD1-CG2 4.02Å; I231-L268 HydrophobicContact CD1-CD2 4.04Å; I231-L325 HydrophobicContact CG2-CD1 3.85Å; I231-K326 WeakPolarHBondContact CA-O 3.11Å; I231-M327 HydrophobicContact CG1-CB 3.95Å |
| 232 | S | 98 | Very high | 96.5 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 12% | 0.119 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 145 | 176.4 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | D230 E256 K326 | D230-S232 PolarHBondContact O-N 3.4Å; S232-E256 CarbonylContact C-O 3.59Å; S232-E256 VanDerWaalsContact CA-O 3.27Å; S232-E256 WeakPolarHBondContact CA-O 3.25Å; S232-E256 WeakPolarHBondContact CB-O 3.36Å; S232-K326 PolarHBondContact N-O 3.18Å; S232-K326 PolarHBondContact O-N 3.29Å |
| 233 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146.5 | 172 | -72.5 | 85.4 | 0 | 0 | 0 | 109.5 | A216 V218 K255 E256 Y272 L274 V323 V324 L325 | A216-L233 HydrophobicContact CB-CD2 3.79Å; V218-L233 HydrophobicContact CG2-CD1 4.45Å; V218-L233 HydrophobicContact CG2-CD2 3.97Å; L233-K255 CarbonylContact O-C 3.41Å; L233-K255 WeakPolarHBondContact O-CA 3.44Å; L233-E256 PolarHBondContact N-O 2.81Å; L233-E256 PolarHBondContact O-N 2.81Å; L233-Y272 HydrophobicContact CD1-CD1 4.06Å; L233-Y272 HydrophobicContact CD1-CD2 3.55Å; L233-Y272 HydrophobicContact CD1-CE1 4.35Å; L233-Y272 HydrophobicContact CD1-CE2 3.82Å; L233-Y272 HydrophobicContact CD1-CG 3.65Å; L233-Y272 HydrophobicContact CD2-CD2 3.94Å; L233-Y272 HydrophobicContact CD2-CG 4.11Å; L233-Y272 HydrophobicContact CG-CD2 4.41Å; L233-Y272 HydrophobicContact CG-CG 4.5Å; L233-L274 HydrophobicContact CB-CD1 4.06Å; L233-L274 HydrophobicContact CB-CD2 4.36Å; L233-L274 HydrophobicContact CD2-CD1 4.36Å; L233-V323 HydrophobicContact CD2-CG1 4.34Å; L233-V324 CarbonylContact C-O 3.53Å; L233-V324 WeakPolarHBondContact CA-O 3.21Å; L233-L325 HydrophobicContact CD1-CD1 3.76Å; L233-L325 HydrophobicContact CG-CD1 3.92Å |
| 234 | S | 98.4 | Very high | 95 | Very high | 8 Ų | 8 | 34 Ų | 34 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 146.5 | 172.5 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | A254 V323 V324 | S234-A254 CarbonylContact C-O 3.57Å; S234-A254 WeakPolarHBondContact CA-O 3.35Å; S234-A254 WeakPolarHBondContact CB-O 3.44Å; S234-V323 CarbonylContact O-C 3.56Å; S234-V323 WeakPolarHBondContact O-CA 3.36Å; S234-V324 PolarHBondContact N-O 3.29Å; S234-V324 PolarHBondContact O-N 3.13Å |
| 235 | V | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.2 | 163.4 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | S252 V253 A254 L274 P276 Y321 K322 V323 F344 | V235-S252 CarbonylContact O-C 3.53Å; V235-S252 VanDerWaalsContact O-CA 3.25Å; V235-S252 WeakPolarHBondContact O-CA 3.29Å; V235-V253 HydrophobicContact CB-CG2 3.96Å; V235-V253 HydrophobicContact CG1-CG2 3.55Å; V235-V253 WeakPolarHBondContact O-CG2 3.47Å; V235-V253 PolarHBondContact O-N 2.99Å; V235-A254 HydrophobicContact CB-CB 4.11Å; V235-A254 HydrophobicContact CG2-CB 4.15Å; V235-A254 PolarHBondContact N-O 2.84Å; V235-A254 PolarHBondContact O-N 2.79Å; V235-L274 HydrophobicContact CG2-CB 3.81Å; V235-L274 HydrophobicContact CG2-CD1 4.04Å; V235-L274 HydrophobicContact CG2-CD2 4.45Å; V235-L274 HydrophobicContact CG2-CG 4.32Å; V235-P276 HydrophobicContact CB-CB 4.36Å; V235-P276 HydrophobicContact CG1-CB 4.02Å; V235-P276 HydrophobicContact CG2-CB 4.44Å; V235-Y321 HydrophobicContact CG1-CD1 4.06Å; V235-K322 WeakPolarHBondContact CA-O 3.48Å; V235-V323 HydrophobicContact CG2-CG2 4.41Å; V235-F344 HydrophobicContact CG1-CE1 3.86Å; V235-F344 HydrophobicContact CG1-CZ 3.62Å |
| 236 | E | 98.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 40 Ų | 40 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.3 | 176.1 | -63.8 | -170.1 | 160.4 | 0 | 0 | 110.7 | V250 Y321 K322 V324 | E236-V250 HydrophobicContact CB-CG1 3.93Å; E236-V250 HydrophobicContact CG-CG1 4.23Å; E236-V250 VanDerWaalsContact OE2-CG1 3.25Å; E236-V250 WeakPolarHBondContact OE2-CG1 3.29Å; E236-Y321 WeakPolarHBondContact O-CA 3.47Å; E236-K322 HydrophobicContact CB-CG 4.08Å; E236-K322 PolarHBondContact N-O 2.83Å; E236-K322 PolarHBondContact O-N 2.97Å; E236-K322 VanDerWaalsContact O-N 3.08Å; E236-K322 WeakPolarHBondContact OE2-CE 3.42Å; E236-K322 IonicContact OE2-NZ 2.71Å; E236-K322 PolarHBondContact OE2-NZ 3.19Å; E236-V324 HydrophobicContact CB-CG2 4.38Å; E236-V324 HydrophobicContact CG-CG2 3.89Å |
| 237 | Q | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123 | 166.6 | -174.8 | -172.4 | 67.3 | 0 | 0 | 108.8 | V250 K251 V253 A288 I319 Y321 | Q237-V250 WeakPolarHBondContact O-CA 3.42Å; Q237-K251 PolarHBondContact N-O 3.07Å; Q237-K251 PolarHBondContact O-N 2.75Å; Q237-V253 HydrophobicContact CB-CG1 3.73Å; Q237-V253 HydrophobicContact CB-CG2 4.47Å; Q237-A288 PolarHBondContact NE2-O 3.13Å; Q237-I319 HydrophobicContact CG-CG2 4.05Å; Q237-Y321 HydrophobicContact CB-CD1 4.02Å; Q237-Y321 HydrophobicContact CB-CE1 3.63Å; Q237-Y321 HydrophobicContact CG-CD1 4.32Å; Q237-Y321 HydrophobicContact CG-CE1 3.68Å; Q237-Y321 HydrophobicContact CG-CE2 4.46Å; Q237-Y321 PolarHBondContact NE2-OH 3.31Å |
| 238 | V | 98.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.7 | 177.1 | -178 | 0 | 0 | 0 | 0 | 108 | K248 Y249 V250 I319 S320 | V238-K248 HydrophobicContact CG1-CD 4.24Å; V238-K248 HydrophobicContact CG1-CG 3.99Å; V238-Y249 CarbonylContact C-O 3.5Å; V238-Y249 WeakPolarHBondContact CA-O 3.4Å; V238-V250 HydrophobicContact CG1-CG2 4.4Å; V238-V250 HydrophobicContact CG2-CG1 4.37Å; V238-V250 HydrophobicContact CG2-CG2 4.21Å; V238-I319 WeakPolarHBondContact O-CA 3.37Å; V238-S320 PolarHBondContact N-O 2.95Å; V238-S320 PolarHBondContact O-N 2.99Å |
| 239 | T | 96.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110.9 | 174.8 | -54 | 0 | 0 | 0 | 0 | 109.1 | L129 V241 Y249 M317 I319 | L129-T239 HydrophobicContact CD2-CG2 3.96Å; T239-V241 HydrophobicContact CG2-CG2 4.24Å; T239-Y249 PolarHBondContact N-O 2.83Å; T239-Y249 PolarHBondContact O-N 3.47Å; T239-M317 HydrophobicContact CG2-CB 4.44Å; T239-I319 HydrophobicContact CG2-CD1 3.47Å; T239-I319 VanDerWaalsContact CG2-CD1 3.47Å; T239-I319 WeakPolarHBondContact OG1-CD1 3.36Å |
| 240 | N | 95.1 | Very high | 93 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 114.6 | 172.1 | -64.7 | -27.4 | 0 | 0 | 0 | 108.7 | D247 K248 M317 L318 | N240-D247 CarbonylContact C-O 3.55Å; N240-D247 WeakPolarHBondContact CA-O 3.49Å; N240-K248 WeakPolarHBondContact OD1-CG 3.07Å; N240-M317 WeakPolarHBondContact O-CA 3.36Å; N240-L318 HydrophobicContact CB-CB 4.32Å; N240-L318 PolarHBondContact N-O 2.85Å; N240-L318 PolarHBondContact O-N 2.86Å |
| 241 | V | 92.9 | Very high | 93 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 112.4 | 173.7 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | F60 T239 L243 S245 D247 Y249 G316 M317 | F60-V241 HydrophobicContact CE2-CG1 4Å; F60-V241 HydrophobicContact CZ-CG1 3.94Å; T239-V241 HydrophobicContact CG2-CG2 4.24Å; V241-L243 HydrophobicContact CG1-CD1 3.99Å; V241-L243 HydrophobicContact CG1-CG 4.26Å; V241-S245 VanDerWaalsContact O-O 3.07Å; V241-D247 HydrophobicContact CB-CB 4.4Å; V241-D247 PolarHBondContact N-O 2.86Å; V241-D247 PolarHBondContact O-N 2.84Å; V241-Y249 HydrophobicContact CB-CE2 4.49Å; V241-Y249 HydrophobicContact CG2-CD2 4.03Å; V241-Y249 HydrophobicContact CG2-CE2 3.78Å; V241-G316 CarbonylContact C-O 3.52Å; V241-G316 WeakPolarHBondContact CA-O 3.16Å; V241-M317 HydrophobicContact CG2-CG 4.34Å |
| 242 | V | 91.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 22% | 0.218 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 98.5 | -176.6 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | V314 Q315 G316 L318 | V242-V314 WeakPolarHBondContact CG1-O 3.46Å; V242-Q315 CarbonylContact O-C 3.6Å; V242-Q315 VanDerWaalsContact O-CA 3.26Å; V242-Q315 WeakPolarHBondContact O-CA 3.22Å; V242-G316 PolarHBondContact N-O 3.24Å; V242-G316 PolarHBondContact O-N 2.7Å; V242-L318 HydrophobicContact CG2-CD1 4.19Å |
| 243 | L | 86.4 | Confident | 92.9 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -138.9 | -77.9 | -179.6 | -75.7 | 172.9 | 0 | 0 | 0 | 112.7 | F60 F74 R76 L78 V241 S245 Q315 | F60-L243 HydrophobicContact CB-CD2 4.22Å; F60-L243 HydrophobicContact CD1-CD1 3.5Å; F60-L243 HydrophobicContact CD2-CD1 3.72Å; F60-L243 HydrophobicContact CD2-CD2 4.19Å; F60-L243 HydrophobicContact CD2-CG 4.28Å; F60-L243 HydrophobicContact CE1-CD1 3.4Å; F60-L243 VanDerWaalsContact CE1-CD1 3.4Å; F60-L243 HydrophobicContact CE2-CD1 3.63Å; F60-L243 HydrophobicContact CE2-CG 4.37Å; F60-L243 HydrophobicContact CG-CD1 3.65Å; F60-L243 HydrophobicContact CG-CD2 4.12Å; F60-L243 HydrophobicContact CG-CG 4.43Å; F60-L243 HydrophobicContact CZ-CD1 3.47Å; F60-L243 VanDerWaalsContact CZ-CD1 3.47Å; F74-L243 HydrophobicContact CE1-CD1 4.08Å; R76-L243 PolarHBondContact NH1-O 2.86Å; L78-L243 HydrophobicContact CD2-CD2 3.86Å; V241-L243 HydrophobicContact CG1-CD1 3.99Å; V241-L243 HydrophobicContact CG1-CG 4.26Å; L243-S245 PolarHBondContact N-O 2.8Å; L243-Q315 HydrophobicContact CD2-CB 4.38Å |
| 244 | Y | 77.1 | Confident | 92.9 | Very high | 174 Ų | 174 | 48.7 Ų | 48.7 | 68% | 0.682 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -114.9 | -42.3 | 173.7 | -63.3 | -74 | 0 | 0 | 0 | 109.7 | F74 | F74-Y244 AromaticContact CE2-CE2 3.59Å; F74-Y244 HydrophobicContact CE2-CE2 3.59Å; F74-Y244 HydrophobicContact CZ-CD2 4.26Å; F74-Y244 AromaticContact CZ-CE2 3.44Å; F74-Y244 HydrophobicContact CZ-CE2 3.44Å; F74-Y244 VanDerWaalsContact CZ-CE2 3.44Å |
| 245 | S | 75.1 | Confident | 92.8 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -98.5 | 159.5 | 163.3 | 42.4 | 0 | 0 | 0 | 0 | 110.1 | V241 L243 D247 | V241-S245 VanDerWaalsContact O-O 3.07Å; L243-S245 PolarHBondContact N-O 2.8Å; S245-D247 PolarHBondContact OG-OD2 2.78Å |
| 246 | N | 84.7 | Confident | 92.6 | Very high | 135 Ų | 135 | 57.9 Ų | 57.9 | 72% | 0.722 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 80 | 167.3 | -75.1 | -27.8 | 0 | 0 | 0 | 108.2 | ||
| 247 | D | 88.1 | Confident | 92.4 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 133.7 | -177.9 | -63.3 | -44.6 | 0 | 0 | 0 | 110.4 | N240 V241 S245 Y249 | N240-D247 CarbonylContact C-O 3.55Å; N240-D247 WeakPolarHBondContact CA-O 3.49Å; V241-D247 HydrophobicContact CB-CB 4.4Å; V241-D247 PolarHBondContact N-O 2.86Å; V241-D247 PolarHBondContact O-N 2.84Å; S245-D247 PolarHBondContact OG-OD2 2.78Å; D247-Y249 HydrophobicContact CB-CE2 3.83Å |
| 248 | K | 93.4 | Very high | 92.2 | Very high | 134 Ų | 134 | 64.5 Ų | 64.5 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121 | 179.3 | 179.1 | 175.1 | 179.4 | -176.8 | 0 | 110.3 | V238 N240 V250 | V238-K248 HydrophobicContact CG1-CD 4.24Å; V238-K248 HydrophobicContact CG1-CG 3.99Å; N240-K248 WeakPolarHBondContact OD1-CG 3.07Å; K248-V250 HydrophobicContact CG-CG2 4.2Å |
| 249 | Y | 93 | Very high | 92 | Very high | 112 Ų | 112 | 73.7 Ų | 73.7 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.8 | 174.2 | -56.5 | -81.2 | 0 | 0 | 0 | 109.9 | V238 T239 V241 D247 | V238-Y249 CarbonylContact C-O 3.5Å; V238-Y249 WeakPolarHBondContact CA-O 3.4Å; T239-Y249 PolarHBondContact N-O 2.83Å; T239-Y249 PolarHBondContact O-N 3.47Å; V241-Y249 HydrophobicContact CB-CE2 4.49Å; V241-Y249 HydrophobicContact CG2-CD2 4.03Å; V241-Y249 HydrophobicContact CG2-CE2 3.78Å; D247-Y249 HydrophobicContact CB-CE2 3.83Å |
| 250 | V | 96.6 | Very high | 91.9 | Very high | 56 Ų | 56 | 75.4 Ų | 75.4 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.9 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | E236 Q237 V238 K248 | E236-V250 HydrophobicContact CB-CG1 3.93Å; E236-V250 HydrophobicContact CG-CG1 4.23Å; E236-V250 VanDerWaalsContact OE2-CG1 3.25Å; E236-V250 WeakPolarHBondContact OE2-CG1 3.29Å; Q237-V250 WeakPolarHBondContact O-CA 3.42Å; V238-V250 HydrophobicContact CG1-CG2 4.4Å; V238-V250 HydrophobicContact CG2-CG1 4.37Å; V238-V250 HydrophobicContact CG2-CG2 4.21Å; K248-V250 HydrophobicContact CG-CG2 4.2Å |
| 251 | K | 96.6 | Very high | 91.9 | Very high | 83 Ų | 83 | 76.3 Ų | 76.3 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 122 | 176.2 | -63.6 | -65.9 | 178.6 | -166.9 | 0 | 109.3 | Q237 V253 I287 | Q237-K251 PolarHBondContact N-O 3.07Å; Q237-K251 PolarHBondContact O-N 2.75Å; K251-V253 PolarHBondContact O-N 2.84Å; K251-I287 HydrophobicContact CB-CD1 3.49Å; K251-I287 VanDerWaalsContact CB-CD1 3.49Å; K251-I287 HydrophobicContact CG-CD1 3.89Å |
| 252 | S | 96.8 | Very high | 92.2 | Very high | 28 Ų | 28 | 75.9 Ų | 75.9 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 126.4 | 164.9 | 162.5 | 0 | 0 | 0 | 0 | 108.3 | V235 A254 R284 | V235-S252 CarbonylContact O-C 3.53Å; V235-S252 VanDerWaalsContact O-CA 3.25Å; V235-S252 WeakPolarHBondContact O-CA 3.29Å; S252-A254 PolarHBondContact OG-O 2.83Å; S252-R284 PolarHBondContact O-NH1 3.02Å; S252-R284 PolarHBondContact O-NH2 2.89Å |
| 253 | V | 97.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -13.1 | 176 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | V235 Q237 K251 P276 N281 I287 L300 Y321 | V235-V253 HydrophobicContact CB-CG2 3.96Å; V235-V253 HydrophobicContact CG1-CG2 3.55Å; V235-V253 WeakPolarHBondContact O-CG2 3.47Å; V235-V253 PolarHBondContact O-N 2.99Å; Q237-V253 HydrophobicContact CB-CG1 3.73Å; Q237-V253 HydrophobicContact CB-CG2 4.47Å; K251-V253 PolarHBondContact O-N 2.84Å; V253-P276 HydrophobicContact CG2-CB 3.95Å; V253-N281 PolarHBondContact O-ND2 2.75Å; V253-I287 HydrophobicContact CG1-CD1 4.13Å; V253-I287 HydrophobicContact CG1-CG2 4.22Å; V253-L300 HydrophobicContact CB-CD1 4.07Å; V253-L300 HydrophobicContact CG1-CD1 4.26Å; V253-L300 HydrophobicContact CG1-CD2 4.3Å; V253-L300 HydrophobicContact CG2-CD1 4.19Å; V253-Y321 HydrophobicContact CG2-CD1 4.45Å; V253-Y321 HydrophobicContact CG2-CE1 4.19Å |
| 254 | A | 97.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 78.5 Ų | 78.5 | 11% | 0.107 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 147.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108 | S234 V235 S252 L274 P276 | S234-A254 CarbonylContact C-O 3.57Å; S234-A254 WeakPolarHBondContact CA-O 3.35Å; S234-A254 WeakPolarHBondContact CB-O 3.44Å; V235-A254 HydrophobicContact CB-CB 4.11Å; V235-A254 HydrophobicContact CG2-CB 4.15Å; V235-A254 PolarHBondContact N-O 2.84Å; V235-A254 PolarHBondContact O-N 2.79Å; S252-A254 PolarHBondContact OG-O 2.83Å; A254-L274 HydrophobicContact CB-CB 4.24Å; A254-L274 HydrophobicContact CB-CD2 4.18Å; A254-P276 HydrophobicContact CB-CB 4.47Å |
| 255 | K | 96.4 | Very high | 93.8 | Very high | 112 Ų | 112 | 73.2 Ų | 73.2 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.6 | 176.1 | -168.7 | -178.3 | -175 | -166.4 | 0 | 108.9 | L233 E257 | L233-K255 CarbonylContact O-C 3.41Å; L233-K255 WeakPolarHBondContact O-CA 3.44Å; K255-E257 HydrophobicContact CD-CG 4.34Å; K255-E257 VanDerWaalsContact CE-OE1 3.29Å; K255-E257 WeakPolarHBondContact CE-OE1 3.41Å; K255-E257 IonicContact NZ-OE1 3.29Å; K255-E257 PolarHBondContact NZ-OE1 2.96Å |
| 256 | E | 95.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 73.2 Ų | 73.2 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121 | 172.3 | -171.5 | 71 | 179.5 | 0 | 0 | 107.4 | S232 L233 L274 | S232-E256 CarbonylContact C-O 3.59Å; S232-E256 VanDerWaalsContact CA-O 3.27Å; S232-E256 WeakPolarHBondContact CA-O 3.25Å; S232-E256 WeakPolarHBondContact CB-O 3.36Å; L233-E256 PolarHBondContact N-O 2.81Å; L233-E256 PolarHBondContact O-N 2.81Å; E256-L274 HydrophobicContact CB-CD2 3.97Å |
| 257 | E | 93.8 | Very high | 95.5 | Very high | 138 Ų | 138 | 71.6 Ų | 71.6 | 65% | 0.645 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 139 | 172 | -68.6 | -179.2 | 179 | 0 | 0 | 108.5 | K255 | K255-E257 HydrophobicContact CD-CG 4.34Å; K255-E257 VanDerWaalsContact CE-OE1 3.29Å; K255-E257 WeakPolarHBondContact CE-OE1 3.41Å; K255-E257 IonicContact NZ-OE1 3.29Å; K255-E257 PolarHBondContact NZ-OE1 2.96Å |
| 258 | T | 93.9 | Very high | 96 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 16% | 0.16 | 38% | 0.379 | C | S | . | . | trans | -122.2 | 150.5 | -171.2 | 80.6 | 0 | 0 | 0 | 0 | 110.1 | I231 D260 Y272 | I231-T258 WeakPolarHBondContact CB-OG1 3.46Å; I231-T258 WeakPolarHBondContact O-CB 3.5Å; I231-T258 WeakPolarHBondContact O-CG2 3.3Å; I231-T258 PolarHBondContact O-N 2.86Å; I231-T258 VanDerWaalsContact O-N 3.08Å; I231-T258 PolarHBondContact O-OG1 3.32Å; T258-D260 PolarHBondContact OG1-N 2.84Å; T258-Y272 HydrophobicContact CG2-CD1 3.93Å; T258-Y272 HydrophobicContact CG2-CE1 3.33Å | ||
| 259 | E | 93.9 | Very high | 96.2 | Very high | 200 Ų | 200 | 71.2 Ų | 71.2 | 94% | 0.935 | 38% | 0.384 | S | S | * | . | trans | -86.3 | 5.2 | 168.7 | -60.8 | -176.9 | 173.9 | 0 | 0 | 111.9 | ||||
| 260 | D | 94.5 | Very high | 96.5 | Very high | 37 Ų | 37 | 69.9 Ų | 69.9 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | trans | -67.6 | 141.8 | -178.4 | -60.3 | -48 | 0 | 0 | 0 | 110.2 | I231 T258 L268 K270 Y272 | I231-D260 HydrophobicContact CD1-CB 4.26Å; T258-D260 PolarHBondContact OG1-N 2.84Å; D260-L268 HydrophobicContact CB-CD2 4.22Å; D260-K270 IonicContact OD1-NZ 2.75Å; D260-K270 PolarHBondContact OD1-NZ 2.87Å; D260-K270 WeakPolarHBondContact OD2-CD 3.48Å; D260-K270 IonicContact OD2-NZ 3.95Å; D260-K270 PolarHBondContact OD2-NZ 3.25Å; D260-Y272 WeakPolarHBondContact OD2-CE1 3.42Å; D260-Y272 PolarHBondContact OD2-OH 2.93Å | ||
| 261 | S | 96.1 | Very high | 96.5 | Very high | 72 Ų | 72 | 71.5 Ų | 71.5 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | trans | -138.4 | 151 | 172.3 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | I228 | I228-S261 WeakPolarHBondContact O-CA 3.39Å; I228-S261 WeakPolarHBondContact O-CB 3.44Å | ||
| 262 | V | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -123.9 | 93.4 | 179 | -167.1 | 0 | 0 | 0 | 0 | 108.6 | I220 N222 I228 I231 T266 L268 | I220-V262 HydrophobicContact CB-CG2 4.32Å; I220-V262 HydrophobicContact CD1-CG2 4.11Å; I220-V262 HydrophobicContact CG2-CB 4.38Å; I220-V262 HydrophobicContact CG2-CG1 4.17Å; I220-V262 HydrophobicContact CG2-CG2 4.2Å; N222-V262 HydrophobicContact CB-CG1 3.72Å; N222-V262 PolarHBondContact ND2-O 2.87Å; I228-V262 HydrophobicContact CB-CB 3.97Å; I228-V262 HydrophobicContact CG1-CB 4.24Å; I228-V262 PolarHBondContact N-O 2.89Å; I228-V262 PolarHBondContact O-N 2.86Å; I231-V262 HydrophobicContact CD1-CG2 4.02Å; V262-T266 WeakPolarHBondContact CG1-OG1 3.27Å; V262-L268 HydrophobicContact CG2-CB 3.58Å; V262-L268 HydrophobicContact CG2-CD2 3.87Å; V262-L268 HydrophobicContact CG2-CG 4.36Å |
| 263 | P | 97.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 68.7 Ų | 68.7 | 40% | 0.403 | 37% | 0.372 | S | S | . | . | trans | -57 | 158.9 | 173.9 | -25 | 34.2 | 0 | 0 | 0 | 112.7 | N222 N227 G265 T266 | N222-P263 PolarHBondContact ND2-O 2.85Å; N227-P263 WeakPolarHBondContact OD1-CA 3.4Å; P263-G265 PolarHBondContact O-N 3.08Å; P263-T266 HydrophobicContact CB-CG2 4.2Å; P263-T266 WeakPolarHBondContact CD-OG1 3.32Å; P263-T266 PolarHBondContact O-N 2.8Å; P263-T266 PolarHBondContact O-OG1 2.83Å | ||
| 264 | S | 95.9 | Very high | 96.7 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 133.2 | 172.5 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | S224 N227 T266 | S224-S264 VanDerWaalsContact O-CB 3.31Å; S224-S264 WeakPolarHBondContact O-CB 3.48Å; S224-S264 PolarHBondContact O-OG 2.82Å; N227-S264 PolarHBondContact OD1-N 3.43Å; S264-T266 VanDerWaalsContact C-N 3.34Å |
| 265 | G | 96.4 | Very high | 96.6 | Very high | 63 Ų | 63 | 73.8 Ų | 73.8 | 65% | 0.649 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 4.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N222 P263 | N222-G265 CarbonylContact O-C 3.58Å; N222-G265 WeakPolarHBondContact O-CA 3.46Å; N222-G265 PolarHBondContact O-N 2.93Å; P263-G265 PolarHBondContact O-N 3.08Å |
| 266 | T | 98 | Very high | 96.6 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | trans | -113.5 | 169.9 | -178.1 | 70 | 0 | 0 | 0 | 0 | 112.6 | N222 V262 P263 S264 | N222-T266 WeakPolarHBondContact CB-O 3.47Å; N222-T266 PolarHBondContact N-O 2.8Å; V262-T266 WeakPolarHBondContact CG1-OG1 3.27Å; P263-T266 HydrophobicContact CB-CG2 4.2Å; P263-T266 WeakPolarHBondContact CD-OG1 3.32Å; P263-T266 PolarHBondContact O-N 2.8Å; P263-T266 PolarHBondContact O-OG1 2.83Å; S264-T266 VanDerWaalsContact C-N 3.34Å | ||
| 267 | T | 98 | Very high | 96.5 | Very high | 101 Ų | 101 | 66.4 Ų | 66.4 | 62% | 0.62 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 153.8 | 178 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | I220 T221 | I220-T267 CarbonylContact O-C 3.6Å; I220-T267 WeakPolarHBondContact O-CA 3.45Å; I220-T267 WeakPolarHBondContact O-CB 3.37Å; T221-T267 HydrophobicContact CG2-CG2 3.95Å |
| 268 | L | 98.1 | Very high | 96.4 | Very high | 32 Ų | 32 | 61 Ų | 61 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.8 | 172.3 | 175.1 | 67.8 | 0 | 0 | 0 | 108.8 | E219 I220 I231 D260 V262 K270 | E219-L268 CarbonylContact C-O 3.49Å; E219-L268 WeakPolarHBondContact CA-O 3.19Å; I220-L268 HydrophobicContact CB-CB 4.31Å; I220-L268 HydrophobicContact CD1-CD2 4.22Å; I220-L268 PolarHBondContact N-O 2.91Å; I220-L268 PolarHBondContact O-N 2.79Å; I231-L268 HydrophobicContact CD1-CD2 4.04Å; D260-L268 HydrophobicContact CB-CD2 4.22Å; V262-L268 HydrophobicContact CG2-CB 3.58Å; V262-L268 HydrophobicContact CG2-CD2 3.87Å; V262-L268 HydrophobicContact CG2-CG 4.36Å; L268-K270 HydrophobicContact CD1-CB 4.17Å; L268-K270 HydrophobicContact CG-CB 4.43Å |
| 269 | K | 98.1 | Very high | 96.3 | Very high | 157 Ų | 157 | 62.9 Ų | 62.9 | 68% | 0.683 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 111.8 | 169.4 | 177.4 | 161.2 | 178.5 | 156.5 | 0 | 108.5 | V218 E219 | V218-K269 WeakPolarHBondContact O-CA 3.38Å; E219-K269 HydrophobicContact CG-CB 4.39Å; E219-K269 HydrophobicContact CG-CD 3.97Å; E219-K269 HydrophobicContact CG-CG 3.94Å; E219-K269 WeakPolarHBondContact OE1-CE 3.49Å; E219-K269 IonicContact OE1-NZ 2.7Å; E219-K269 PolarHBondContact OE1-NZ 2.86Å |
| 270 | K | 97.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 144.4 | -173.4 | -167.4 | 167 | 175.9 | -172.6 | 0 | 111.6 | V218 D260 L268 Y272 | V218-K270 PolarHBondContact N-O 2.79Å; V218-K270 PolarHBondContact O-N 2.84Å; D260-K270 IonicContact OD1-NZ 2.75Å; D260-K270 PolarHBondContact OD1-NZ 2.87Å; D260-K270 WeakPolarHBondContact OD2-CD 3.48Å; D260-K270 IonicContact OD2-NZ 3.95Å; D260-K270 PolarHBondContact OD2-NZ 3.25Å; L268-K270 HydrophobicContact CD1-CB 4.17Å; L268-K270 HydrophobicContact CG-CB 4.43Å; K270-Y272 HydrophobicContact CB-CE2 4.03Å; K270-Y272 HydrophobicContact CD-CE1 3.92Å; K270-Y272 HydrophobicContact CD-CE2 4.49Å; K270-Y272 HydrophobicContact CG-CE1 4.28Å; K270-Y272 HydrophobicContact CG-CE2 4.26Å |
| 271 | E | 97.9 | Very high | 96 | Very high | 91 Ų | 91 | 59.7 Ų | 59.7 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.7 | 170.2 | -176.5 | 178 | 90.5 | 0 | 0 | 109 | K215 A216 | K215-E271 HydrophobicContact CB-CG 4.28Å; K215-E271 IonicContact NZ-OE1 3.81Å; K215-E271 PolarHBondContact NZ-OE1 2.89Å; A216-E271 WeakPolarHBondContact O-CA 3.33Å |
| 272 | Y | 97.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.2 | 173.5 | -61.7 | -82.8 | 0 | 0 | 0 | 109.8 | K215 A216 V218 L233 T258 D260 K270 | K215-Y272 CarbonylContact C-O 3.55Å; K215-Y272 WeakPolarHBondContact CA-O 3.39Å; A216-Y272 PolarHBondContact N-O 3.12Å; A216-Y272 PolarHBondContact O-N 3.29Å; V218-Y272 HydrophobicContact CB-CD2 4.11Å; V218-Y272 HydrophobicContact CB-CE2 3.82Å; V218-Y272 HydrophobicContact CG1-CE2 4.42Å; V218-Y272 HydrophobicContact CG2-CD2 3.7Å; V218-Y272 HydrophobicContact CG2-CE2 3.81Å; L233-Y272 HydrophobicContact CD1-CD1 4.06Å; L233-Y272 HydrophobicContact CD1-CD2 3.55Å; L233-Y272 HydrophobicContact CD1-CE1 4.35Å; L233-Y272 HydrophobicContact CD1-CE2 3.82Å; L233-Y272 HydrophobicContact CD1-CG 3.65Å; L233-Y272 HydrophobicContact CD2-CD2 3.94Å; L233-Y272 HydrophobicContact CD2-CG 4.11Å; L233-Y272 HydrophobicContact CG-CD2 4.41Å; L233-Y272 HydrophobicContact CG-CG 4.5Å; T258-Y272 HydrophobicContact CG2-CD1 3.93Å; T258-Y272 HydrophobicContact CG2-CE1 3.33Å; D260-Y272 WeakPolarHBondContact OD2-CE1 3.42Å; D260-Y272 PolarHBondContact OD2-OH 2.93Å; K270-Y272 HydrophobicContact CB-CE2 4.03Å; K270-Y272 HydrophobicContact CD-CE1 3.92Å; K270-Y272 HydrophobicContact CD-CE2 4.49Å; K270-Y272 HydrophobicContact CG-CE1 4.28Å; K270-Y272 HydrophobicContact CG-CE2 4.26Å |
| 273 | T | 97.6 | Very high | 94.8 | Very high | 41 Ų | 41 | 68.5 Ų | 68.5 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124 | -179.4 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | P213 K215 Y275 | P213-T273 HydrophobicContact CB-CG2 3.62Å; K215-T273 HydrophobicContact CG-CG2 4.41Å; T273-Y275 HydrophobicContact CG2-CE2 3.8Å |
| 274 | L | 98.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 145.1 | 179.5 | -65.7 | 136.7 | 0 | 0 | 0 | 110.7 | V214 L233 V235 A254 E256 P276 V323 | V214-L274 HydrophobicContact CB-CB 4.44Å; V214-L274 PolarHBondContact N-O 2.82Å; V214-L274 PolarHBondContact O-N 2.88Å; L233-L274 HydrophobicContact CB-CD1 4.06Å; L233-L274 HydrophobicContact CB-CD2 4.36Å; L233-L274 HydrophobicContact CD2-CD1 4.36Å; V235-L274 HydrophobicContact CG2-CB 3.81Å; V235-L274 HydrophobicContact CG2-CD1 4.04Å; V235-L274 HydrophobicContact CG2-CD2 4.45Å; V235-L274 HydrophobicContact CG2-CG 4.32Å; A254-L274 HydrophobicContact CB-CB 4.24Å; A254-L274 HydrophobicContact CB-CD2 4.18Å; E256-L274 HydrophobicContact CB-CD2 3.97Å; L274-P276 VanDerWaalsContact O-CD 3.3Å; L274-P276 WeakPolarHBondContact O-CD 3.35Å; L274-V323 HydrophobicContact CD1-CG1 4.26Å |
| 275 | Y | 96.7 | Very high | 94.1 | Very high | 120 Ų | 120 | 74.3 Ų | 74.3 | 47% | 0.471 | 37% | 0.37 | S | S | . | . | trans | -117.7 | 84.2 | -178.8 | -65 | -89.9 | 0 | 0 | 0 | 111.3 | P213 T273 L277 | P213-Y275 HydrophobicContact CB-CD1 4.22Å; P213-Y275 HydrophobicContact CB-CE1 3.81Å; T273-Y275 HydrophobicContact CG2-CE2 3.8Å; Y275-L277 PolarHBondContact O-N 3.37Å | ||
| 276 | P | 96.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.019 | 35% | 0.348 | C | S | . | . | trans | -74.3 | 76.8 | 178.1 | 32.3 | -35.4 | 0 | 0 | 0 | 110.9 | V214 V235 V253 A254 L274 L300 | V214-P276 HydrophobicContact CG2-CG 3.85Å; V235-P276 HydrophobicContact CB-CB 4.36Å; V235-P276 HydrophobicContact CG1-CB 4.02Å; V235-P276 HydrophobicContact CG2-CB 4.44Å; V253-P276 HydrophobicContact CG2-CB 3.95Å; A254-P276 HydrophobicContact CB-CB 4.47Å; L274-P276 VanDerWaalsContact O-CD 3.3Å; L274-P276 WeakPolarHBondContact O-CD 3.35Å; P276-L300 HydrophobicContact CB-CD1 4.27Å; P276-L300 VanDerWaalsContact O-CD1 3.32Å; P276-L300 WeakPolarHBondContact O-CD1 3.43Å | ||
| 277 | L | 93.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 69.5 Ų | 69.5 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | trans | -112.3 | 139.8 | -177.1 | -57.8 | -179 | 0 | 0 | 0 | 111.3 | Y275 A279 Y280 N281 | Y275-L277 PolarHBondContact O-N 3.37Å; L277-A279 PolarHBondContact O-N 2.72Å; L277-Y280 HydrophobicContact CB-CD2 3.97Å; L277-Y280 HydrophobicContact CB-CE2 4.22Å; L277-Y280 HydrophobicContact CD1-CD2 4.38Å; L277-Y280 HydrophobicContact CD1-CE2 3.78Å; L277-Y280 HydrophobicContact CG-CD2 4.47Å; L277-Y280 HydrophobicContact CG-CE2 4.31Å; L277-Y280 PolarHBondContact O-N 2.81Å; L277-N281 PolarHBondContact O-ND2 2.61Å | ||
| 278 | L | 91.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -60.4 | -31.3 | 173.3 | 179.7 | 57.7 | 0 | 0 | 0 | 111.9 | Y280 N281 K282 L289 T298 L300 | L278-Y280 PolarHBondContact O-N 2.87Å; L278-Y280 VanDerWaalsContact O-N 3.13Å; L278-N281 CarbonylContact O-C 3.55Å; L278-N281 WeakPolarHBondContact O-CA 3.25Å; L278-N281 PolarHBondContact O-N 2.81Å; L278-K282 WeakPolarHBondContact O-CG 3.08Å; L278-K282 PolarHBondContact O-N 2.79Å; L278-L289 HydrophobicContact CD1-CD2 3.42Å; L278-L289 VanDerWaalsContact CD1-CD2 3.42Å; L278-L289 HydrophobicContact CD2-CD2 4.05Å; L278-L289 HydrophobicContact CG-CD2 4.33Å; L278-T298 HydrophobicContact CD2-CG2 4.05Å; L278-T298 WeakPolarHBondContact CD2-O 3.18Å; L278-L300 HydrophobicContact CB-CD2 4.35Å; L278-L300 HydrophobicContact CB-CG 4.42Å; L278-L300 HydrophobicContact CD1-CD2 4.19Å |
| 279 | A | 91.3 | Very high | 93.2 | Very high | 64 Ų | 64 | 63.5 Ų | 63.5 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -52.7 | -36.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L277 N281 | L277-A279 PolarHBondContact O-N 2.72Å; A279-N281 VanDerWaalsContact C-N 3.34Å |
| 280 | Y | 91 | Very high | 92.8 | Very high | 166 Ų | 166 | 56.7 Ų | 56.7 | 65% | 0.651 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -87.9 | 0.4 | 178.6 | -54.5 | -47 | 0 | 0 | 0 | 114 | L277 L278 | L277-Y280 HydrophobicContact CB-CD2 3.97Å; L277-Y280 HydrophobicContact CB-CE2 4.22Å; L277-Y280 HydrophobicContact CD1-CD2 4.38Å; L277-Y280 HydrophobicContact CD1-CE2 3.78Å; L277-Y280 HydrophobicContact CG-CD2 4.47Å; L277-Y280 HydrophobicContact CG-CE2 4.31Å; L277-Y280 PolarHBondContact O-N 2.81Å; L278-Y280 PolarHBondContact O-N 2.87Å; L278-Y280 VanDerWaalsContact O-N 3.13Å |
| 281 | N | 90.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | 8.8 | -172.5 | -67.6 | -78.2 | 0 | 0 | 0 | 113.5 | Q130 V253 L277 L278 A279 D283 R284 | Q130-N281 PolarHBondContact NE2-O 2.86Å; V253-N281 PolarHBondContact O-ND2 2.75Å; L277-N281 PolarHBondContact O-ND2 2.61Å; L278-N281 CarbonylContact O-C 3.55Å; L278-N281 WeakPolarHBondContact O-CA 3.25Å; L278-N281 PolarHBondContact O-N 2.81Å; A279-N281 VanDerWaalsContact C-N 3.34Å; N281-D283 PolarHBondContact O-N 2.96Å; N281-D283 VanDerWaalsContact O-N 3.13Å; N281-R284 WeakPolarHBondContact O-CB 2.94Å; N281-R284 PolarHBondContact O-N 2.59Å; N281-R284 VanDerWaalsContact O-N 3.07Å; N281-R284 WeakPolarHBondContact OD1-CD 3.4Å; N281-R284 PolarHBondContact OD1-NH1 3.34Å |
| 282 | K | 86.4 | Confident | 90.8 | Very high | 120 Ų | 120 | 55.1 Ų | 55.1 | 52% | 0.522 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.9 | -173.7 | -70.5 | -172.2 | 174.7 | -177 | 0 | 115.2 | Q130 L278 | Q130-K282 PolarHBondContact NE2-O 2.85Å; L278-K282 WeakPolarHBondContact O-CG 3.08Å; L278-K282 PolarHBondContact O-N 2.79Å |
| 283 | D | 83.8 | Confident | 89.5 | Confident | 138 Ų | 138 | 55.3 Ų | 55.3 | 74% | 0.738 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 3 | -178.2 | -57 | -52.8 | 0 | 0 | 0 | 113.2 | N281 | N281-D283 PolarHBondContact O-N 2.96Å; N281-D283 VanDerWaalsContact O-N 3.13Å |
| 284 | R | 87.9 | Confident | 88.1 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | trans | -93.7 | 127 | -172.4 | -63.9 | -176 | 66 | -162.2 | -1.7 | 112.4 | Q130 S252 N281 I287 | Q130-R284 PolarHBondContact NE2-O 3.45Å; S252-R284 PolarHBondContact O-NH1 3.02Å; S252-R284 PolarHBondContact O-NH2 2.89Å; N281-R284 WeakPolarHBondContact O-CB 2.94Å; N281-R284 PolarHBondContact O-N 2.59Å; N281-R284 VanDerWaalsContact O-N 3.07Å; N281-R284 WeakPolarHBondContact OD1-CD 3.4Å; N281-R284 PolarHBondContact OD1-NH1 3.34Å; R284-I287 HydrophobicContact CB-CD1 4.35Å; R284-I287 HydrophobicContact CB-CG1 3.87Å | ||
| 285 | R | 89.4 | Confident | 86 | Confident | 149 Ų | 149 | 69.7 Ų | 69.7 | 56% | 0.562 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 138.5 | 178.3 | -176.4 | 179.1 | -171.1 | -124.7 | 2.1 | 112 | D135 | D135-R285 IonicContact OD1-NH2 3.76Å; D135-R285 IonicContact OD2-CZ 3.05Å; D135-R285 VanDerWaalsContact OD2-CZ 3.29Å; D135-R285 IonicContact OD2-NE 2.79Å; D135-R285 PolarHBondContact OD2-NE 3.1Å; D135-R285 IonicContact OD2-NH2 2.69Å; D135-R285 PolarHBondContact OD2-NH2 3.28Å |
| 286 | G | 88.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 17.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q130 | Q130-G286 PolarHBondContact O-N 3.02Š|
| 287 | I | 93.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -77.2 | 129.6 | 167.4 | -54.2 | -58 | 0 | 0 | 0 | 108.1 | L129 Q130 K251 V253 R284 L289 L300 | L129-I287 WeakPolarHBondContact CA-O 3.16Å; Q130-I287 HydrophobicContact CB-CB 4.33Å; Q130-I287 WeakPolarHBondContact CB-O 3.4Å; Q130-I287 PolarHBondContact N-O 3.22Å; K251-I287 HydrophobicContact CB-CD1 3.49Å; K251-I287 VanDerWaalsContact CB-CD1 3.49Å; K251-I287 HydrophobicContact CG-CD1 3.89Å; V253-I287 HydrophobicContact CG1-CD1 4.13Å; V253-I287 HydrophobicContact CG1-CG2 4.22Å; R284-I287 HydrophobicContact CB-CD1 4.35Å; R284-I287 HydrophobicContact CB-CG1 3.87Å; I287-L289 HydrophobicContact CG2-CD2 4.09Å; I287-L300 HydrophobicContact CG2-CD2 3.46Å; I287-L300 VanDerWaalsContact CG2-CD2 3.46Å | ||
| 288 | A | 95.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 131.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V127 S128 L129 Q237 A301 I319 | V127-A288 HydrophobicContact CG1-CB 4.02Å; S128-A288 CarbonylContact O-C 3.54Å; L129-A288 HydrophobicContact CD2-CB 3.83Å; Q237-A288 PolarHBondContact NE2-O 3.13Å; A288-A301 HydrophobicContact CB-CB 3.76Å; A288-A301 PolarHBondContact O-N 3.46Å; A288-I319 HydrophobicContact CB-CD1 3.48Å; A288-I319 VanDerWaalsContact CB-CD1 3.48Å; A288-I319 HydrophobicContact CB-CG1 4.23Å |
| 289 | L | 93.6 | Very high | 81.3 | Confident | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.5 | 179.9 | -53.3 | -178.4 | 0 | 0 | 0 | 109.6 | V127 S128 Q130 L278 I287 T298 N299 L300 | V127-L289 WeakPolarHBondContact CA-O 3.49Å; S128-L289 PolarHBondContact N-O 2.95Å; S128-L289 PolarHBondContact O-N 3.08Å; Q130-L289 HydrophobicContact CB-CD1 4.11Å; Q130-L289 HydrophobicContact CB-CG 4.39Å; Q130-L289 HydrophobicContact CG-CD1 4.35Å; L278-L289 HydrophobicContact CD1-CD2 3.42Å; L278-L289 VanDerWaalsContact CD1-CD2 3.42Å; L278-L289 HydrophobicContact CD2-CD2 4.05Å; L278-L289 HydrophobicContact CG-CD2 4.33Å; I287-L289 HydrophobicContact CG2-CD2 4.09Å; L289-T298 HydrophobicContact CB-CG2 3.82Å; L289-T298 HydrophobicContact CD1-CG2 3.88Å; L289-T298 HydrophobicContact CG-CG2 4.33Å; L289-N299 WeakPolarHBondContact CA-O 3.42Å; L289-L300 HydrophobicContact CD2-CD2 4.27Å |
| 290 | D | 89.8 | Confident | 81.5 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 144.7 | 166.3 | -82.1 | -16.6 | 0 | 0 | 0 | 108.4 | R292 T298 N299 A301 S302 N348 | D290-R292 PolarHBondContact O-N 2.88Å; D290-T298 WeakPolarHBondContact CB-OG1 3.38Å; D290-T298 PolarHBondContact O-OG1 3.32Å; D290-N299 PolarHBondContact N-O 2.74Å; D290-N299 VanDerWaalsContact N-O 3.13Å; D290-A301 WeakPolarHBondContact OD1-CA 3.45Å; D290-S302 PolarHBondContact OD1-N 2.83Å; D290-S302 PolarHBondContact OD2-OG 2.75Å; D290-N348 PolarHBondContact OD2-ND2 2.89Å |
| 291 | G | 78.6 | Confident | 81.7 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 139.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S126 R169 | S126-G291 PolarHBondContact O-N 2.8Å; R169-G291 WeakPolarHBondContact CD-O 3.49Å; R169-G291 PolarHBondContact NH1-O 2.95Å |
| 292 | R | 75 | Confident | 81.9 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 124.2 | -178.9 | -170.7 | -175.6 | -82.2 | -173.4 | -8.8 | 111.3 | D290 K294 | D290-R292 PolarHBondContact O-N 2.88Å; R292-K294 WeakPolarHBondContact CD-O 3.37Å; R292-K294 WeakPolarHBondContact CG-O 3.46Å |
| 293 | L | 69.8 | Low | 82.3 | Confident | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | trans | -88.3 | 108.3 | 162.9 | -69.9 | 175.1 | 0 | 0 | 0 | 109.1 | R24 D25 T167 R169 H295 E296 | R24-L293 HydrophobicContact CB-CD1 3.77Å; D25-L293 WeakPolarHBondContact OD1-CD1 3.02Å; T167-L293 HydrophobicContact CG2-CD2 4.17Å; T167-L293 WeakPolarHBondContact O-CD2 3.25Å; R169-L293 HydrophobicContact CG-CD1 4.34Å; R169-L293 HydrophobicContact CG-CD2 3.99Å; R169-L293 HydrophobicContact CG-CG 3.88Å; L293-H295 PolarHBondContact O-N 2.89Å; L293-E296 PolarHBondContact O-N 2.81Å | ||
| 294 | K | 68.6 | Low | 82.8 | Confident | 165 Ų | 165 | 55 Ų | 55 | 72% | 0.717 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | -119.8 | 179.3 | -58.2 | 178.9 | 177.5 | 177.8 | 0 | 113.6 | R292 | R292-K294 WeakPolarHBondContact CD-O 3.37Å; R292-K294 WeakPolarHBondContact CG-O 3.46Å |
| 295 | H | 55.6 | Low | 83 | Confident | 181 Ų | 181 | 52.5 Ų | 52.5 | 84% | 0.838 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 9.7 | -177.3 | -65.2 | -69.8 | 0 | 0 | 0 | 112.7 | L293 | L293-H295 PolarHBondContact O-N 2.89Š|
| 296 | E | 57.7 | Low | 82.8 | Confident | 129 Ų | 129 | 47.3 Ų | 47.3 | 60% | 0.603 | 24% | 0.235 | S | C | * | . | trans | -69.2 | 145.5 | 177.7 | -75.4 | 175 | 178.9 | 0 | 0 | 111.1 | L293 | L293-E296 PolarHBondContact O-N 2.81Š| ||
| 297 | D | 55.9 | Low | 82.6 | Confident | 116 Ų | 116 | 50.1 Ų | 50.1 | 62% | 0.62 | 24% | 0.243 | S | C | * | . | trans | -59.9 | 141.7 | 171.5 | -77.9 | -33.8 | 0 | 0 | 0 | 109.6 | ||||
| 298 | T | 76.4 | Confident | 82.2 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | trans | -119.4 | 171.4 | 177.6 | -168.4 | 0 | 0 | 0 | 0 | 109.2 | L278 L289 D290 | L278-T298 HydrophobicContact CD2-CG2 4.05Å; L278-T298 WeakPolarHBondContact CD2-O 3.18Å; L289-T298 HydrophobicContact CB-CG2 3.82Å; L289-T298 HydrophobicContact CD1-CG2 3.88Å; L289-T298 HydrophobicContact CG-CG2 4.33Å; D290-T298 WeakPolarHBondContact CB-OG1 3.38Å; D290-T298 PolarHBondContact O-OG1 3.32Å | ||
| 299 | N | 89.5 | Confident | 81.8 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | trans | -100.2 | 175.1 | 172 | -70.1 | -35.8 | 0 | 0 | 0 | 110.3 | H210 L289 D290 N348 | H210-N299 HydrophobicContact CB-CB 4.44Å; L289-N299 WeakPolarHBondContact CA-O 3.42Å; D290-N299 PolarHBondContact N-O 2.74Å; D290-N299 VanDerWaalsContact N-O 3.13Å; N299-N348 PolarHBondContact ND2-OD1 2.92Å | ||
| 300 | L | 94.4 | Very high | 81.5 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -54.8 | 149.5 | 158.9 | -62 | 177.9 | 0 | 0 | 0 | 108.9 | H210 V253 P276 L278 I287 L289 S302 Y321 L346 | H210-L300 PolarHBondContact CE1-O 2.87Å; H210-L300 PolarHBondContact NE2-O 2.84Å; V253-L300 HydrophobicContact CB-CD1 4.07Å; V253-L300 HydrophobicContact CG1-CD1 4.26Å; V253-L300 HydrophobicContact CG1-CD2 4.3Å; V253-L300 HydrophobicContact CG2-CD1 4.19Å; P276-L300 HydrophobicContact CB-CD1 4.27Å; P276-L300 VanDerWaalsContact O-CD1 3.32Å; P276-L300 WeakPolarHBondContact O-CD1 3.43Å; L278-L300 HydrophobicContact CB-CD2 4.35Å; L278-L300 HydrophobicContact CB-CG 4.42Å; L278-L300 HydrophobicContact CD1-CD2 4.19Å; I287-L300 HydrophobicContact CG2-CD2 3.46Å; I287-L300 VanDerWaalsContact CG2-CD2 3.46Å; L289-L300 HydrophobicContact CD2-CD2 4.27Å; L300-S302 PolarHBondContact O-N 2.81Å; L300-Y321 WeakPolarHBondContact CB-OH 3.35Å; L300-L346 HydrophobicContact CB-CD2 4.39Å; L300-L346 HydrophobicContact CD1-CD2 4.23Å |
| 301 | A | 95.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 134.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V127 A288 D290 I319 Y321 | V127-A301 HydrophobicContact CG1-CB 4.06Å; V127-A301 HydrophobicContact CG2-CB 4.39Å; A288-A301 HydrophobicContact CB-CB 3.76Å; A288-A301 PolarHBondContact O-N 3.46Å; D290-A301 WeakPolarHBondContact OD1-CA 3.45Å; A301-I319 HydrophobicContact CB-CB 4.45Å; A301-I319 HydrophobicContact CB-CG1 3.83Å; A301-I319 HydrophobicContact CB-CG2 4.18Å; A301-Y321 VanDerWaalsContact O-CE2 3.27Å; A301-Y321 WeakPolarHBondContact O-CE2 3.29Å; A301-Y321 PolarHBondContact O-OH 3.23Å |
| 302 | S | 94.9 | Very high | 81.7 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 149.7 | 175.9 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | H210 D290 L300 S304 L346 N348 | H210-S302 PolarHBondContact NE2-OG 3.18Å; D290-S302 PolarHBondContact OD1-N 2.83Å; D290-S302 PolarHBondContact OD2-OG 2.75Å; L300-S302 PolarHBondContact O-N 2.81Å; S302-S304 PolarHBondContact O-N 2.86Å; S302-L346 CarbonylContact C-O 3.58Å; S302-L346 VanDerWaalsContact CA-O 3.24Å; S302-L346 WeakPolarHBondContact CA-O 3.34Å; S302-N348 PolarHBondContact OG-ND2 3.46Å |
| 303 | S | 95.6 | Very high | 82.3 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 134.1 | 173.5 | -70.7 | 0 | 0 | 0 | 0 | 110.9 | Q172 I319 Y321 K345 L346 | Q172-S303 PolarHBondContact OE1-O 2.87Å; S303-I319 WeakPolarHBondContact CA-O 3.42Å; S303-Y321 WeakPolarHBondContact OG-CD2 3.34Å; S303-K345 WeakPolarHBondContact OG-CA 3.49Å; S303-L346 PolarHBondContact N-O 3.48Å; S303-L346 PolarHBondContact OG-N 2.85Å |
| 304 | S | 94.1 | Very high | 83.4 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 121.4 | 178.3 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | S302 I319 | S302-S304 PolarHBondContact O-N 2.86Å; S304-I319 PolarHBondContact N-O 3Å; S304-I319 PolarHBondContact OG-N 3.3Å |
| 305 | I | 90.8 | Very high | 84.6 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 21% | 0.205 | 35% | 0.354 | C | S | . | . | trans | -107.5 | 120.9 | 170.5 | -53.4 | 177.5 | 0 | 0 | 0 | 107.4 | Q172 P175 K345 M347 | Q172-I305 PolarHBondContact NE2-O 2.8Å; P175-I305 HydrophobicContact CG-CD1 3.79Å; I305-K345 HydrophobicContact CD1-CD 4.34Å; I305-M347 HydrophobicContact CD1-CE 3.57Å; I305-M347 HydrophobicContact CD1-SD 3.7Å; I305-M347 HydrophobicContact CG1-CE 4.08Å; I305-M347 HydrophobicContact CG1-SD 4.41Å | ||
| 306 | V | 86.4 | Confident | 86.4 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | trans | -130 | 136.6 | -176.8 | -178.4 | 0 | 0 | 0 | 0 | 108 | Q308 V310 L311 V314 L318 | V306-Q308 PolarHBondContact O-N 2.87Å; V306-V310 HydrophobicContact CG1-CG2 3.83Å; V306-L311 HydrophobicContact CB-CD1 4.06Å; V306-L311 HydrophobicContact CG1-CB 4.24Å; V306-L311 HydrophobicContact CG1-CD1 4.02Å; V306-V314 HydrophobicContact CG1-CG2 3.54Å; V306-L318 HydrophobicContact CG2-CD2 3.87Å | ||
| 307 | K | 84.6 | Confident | 88.2 | Confident | 76 Ų | 76 | 58 Ų | 58 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | trans | -61.5 | 135.3 | 174.6 | -59.5 | 178.8 | -172.6 | 171 | 0 | 109.3 | S30 D31 D121 E309 V310 L311 | S30-K307 WeakPolarHBondContact O-CE 3.43Å; D31-K307 PolarHBondContact O-NZ 2.92Å; D31-K307 VanDerWaalsContact O-NZ 3.11Å; D121-K307 IonicContact OD2-NZ 2.71Å; D121-K307 PolarHBondContact OD2-NZ 2.86Å; K307-E309 PolarHBondContact O-N 3.04Å; K307-E309 VanDerWaalsContact O-N 3.12Å; K307-V310 HydrophobicContact CB-CG2 4.08Å; K307-V310 WeakPolarHBondContact O-CG2 3.36Å; K307-V310 PolarHBondContact O-N 2.71Å; K307-V310 VanDerWaalsContact O-N 3.1Å; K307-L311 PolarHBondContact O-N 2.68Å; K307-L311 VanDerWaalsContact O-N 3.13Å | ||
| 308 | Q | 84.1 | Confident | 90.1 | Very high | 156 Ų | 156 | 53.6 Ų | 53.6 | 73% | 0.729 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.1 | -175.2 | -173 | 64.3 | 9.7 | 0 | 0 | 112.8 | V306 V310 | V306-Q308 PolarHBondContact O-N 2.87Å; Q308-V310 PolarHBondContact O-N 2.65Å |
| 309 | E | 87.5 | Confident | 91 | Very high | 175 Ų | 175 | 53.1 Ų | 53.1 | 82% | 0.818 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -37.7 | -179.6 | -62.2 | 173.8 | -170.5 | 0 | 0 | 112.6 | K307 | K307-E309 PolarHBondContact O-N 3.04Å; K307-E309 VanDerWaalsContact O-N 3.12Å |
| 310 | V | 87.5 | Confident | 91.4 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -6.4 | -176.6 | -55.5 | 0 | 0 | 0 | 0 | 113.3 | D121 N122 V306 K307 Q308 K312 E313 V314 | D121-V310 HydrophobicContact CB-CG1 4.48Å; N122-V310 HydrophobicContact CB-CB 4.1Å; V306-V310 HydrophobicContact CG1-CG2 3.83Å; K307-V310 HydrophobicContact CB-CG2 4.08Å; K307-V310 WeakPolarHBondContact O-CG2 3.36Å; K307-V310 PolarHBondContact O-N 2.71Å; K307-V310 VanDerWaalsContact O-N 3.1Å; Q308-V310 PolarHBondContact O-N 2.65Å; V310-K312 PolarHBondContact O-N 3.38Å; V310-K312 VanDerWaalsContact O-N 3.1Å; V310-E313 WeakPolarHBondContact O-CB 3.35Å; V310-E313 PolarHBondContact O-N 2.76Å; V310-V314 WeakPolarHBondContact O-CG2 3.43Å; V310-V314 PolarHBondContact O-N 3.08Å |
| 311 | L | 86.1 | Confident | 91.6 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -36.9 | -174.5 | -179.9 | 63.6 | 0 | 0 | 0 | 113.3 | V306 K307 E313 V314 L318 | V306-L311 HydrophobicContact CB-CD1 4.06Å; V306-L311 HydrophobicContact CG1-CB 4.24Å; V306-L311 HydrophobicContact CG1-CD1 4.02Å; K307-L311 PolarHBondContact O-N 2.68Å; K307-L311 VanDerWaalsContact O-N 3.13Å; L311-E313 PolarHBondContact O-N 2.63Å; L311-V314 PolarHBondContact O-N 3.05Å; L311-L318 HydrophobicContact CD1-CD1 4.05Å |
| 312 | K | 86.3 | Confident | 91.8 | Very high | 205 Ų | 205 | 53.7 Ų | 53.7 | 89% | 0.891 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.2 | 179.5 | -66.4 | -177.6 | -179.8 | 176.9 | 0 | 113.5 | V310 | V310-K312 PolarHBondContact O-N 3.38Å; V310-K312 VanDerWaalsContact O-N 3.1Å |
| 313 | E | 88.4 | Confident | 91.9 | Very high | 117 Ų | 117 | 53.2 Ų | 53.2 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -19.2 | -179.4 | -56.9 | -176.1 | 178.8 | 0 | 0 | 112.4 | N122 V310 L311 Q315 | N122-E313 HydrophobicContact CB-CB 4.17Å; N122-E313 PolarHBondContact ND2-OE2 2.69Å; V310-E313 WeakPolarHBondContact O-CB 3.35Å; V310-E313 PolarHBondContact O-N 2.76Å; L311-E313 PolarHBondContact O-N 2.63Å; E313-Q315 PolarHBondContact O-N 2.79Å |
| 314 | V | 91.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | trans | -65.5 | 125 | -177.6 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | N122 P124 V242 V306 V310 L311 L318 | N122-V314 HydrophobicContact CB-CG2 4.44Å; N122-V314 WeakPolarHBondContact O-CG2 3.44Å; P124-V314 HydrophobicContact CB-CG1 4.28Å; V242-V314 WeakPolarHBondContact CG1-O 3.46Å; V306-V314 HydrophobicContact CG1-CG2 3.54Å; V310-V314 WeakPolarHBondContact O-CG2 3.43Å; V310-V314 PolarHBondContact O-N 3.08Å; L311-V314 PolarHBondContact O-N 3.05Å; V314-L318 HydrophobicContact CG1-CD2 4.02Å | ||
| 315 | Q | 93.3 | Very high | 92.3 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | trans | -115.1 | 135.9 | 172.1 | -69.2 | 177.4 | -3.1 | 0 | 0 | 109.2 | L78 P124 V242 L243 E313 | L78-Q315 WeakPolarHBondContact CD1-O 3.27Å; L78-Q315 HydrophobicContact CD2-CB 3.76Å; P124-Q315 VanDerWaalsContact CD-O 3.28Å; P124-Q315 WeakPolarHBondContact CD-O 3.49Å; P124-Q315 VanDerWaalsContact CG-O 3.24Å; P124-Q315 WeakPolarHBondContact CG-O 3.38Å; V242-Q315 CarbonylContact O-C 3.6Å; V242-Q315 VanDerWaalsContact O-CA 3.26Å; V242-Q315 WeakPolarHBondContact O-CA 3.22Å; L243-Q315 HydrophobicContact CD2-CB 4.38Å; E313-Q315 PolarHBondContact O-N 2.79Å | ||
| 316 | G | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.4 | -137.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V241 V242 | V241-G316 CarbonylContact C-O 3.52Å; V241-G316 WeakPolarHBondContact CA-O 3.16Å; V242-G316 PolarHBondContact N-O 3.24Å; V242-G316 PolarHBondContact O-N 2.7Å |
| 317 | M | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.4 | 178.8 | -59.7 | -178.1 | -175.7 | 0 | 0 | 109.8 | F60 V127 L129 C140 V142 T239 N240 V241 | F60-M317 HydrophobicContact CD2-CE 4.38Å; F60-M317 HydrophobicContact CE2-CE 3.41Å; F60-M317 VanDerWaalsContact CE2-CE 3.41Å; F60-M317 HydrophobicContact CE2-CG 3.91Å; F60-M317 HydrophobicContact CZ-CE 3.67Å; V127-M317 HydrophobicContact CB-CB 4.28Å; V127-M317 HydrophobicContact CB-SD 4.25Å; V127-M317 HydrophobicContact CG1-CB 4.18Å; V127-M317 HydrophobicContact CG1-SD 3.79Å; L129-M317 HydrophobicContact CD1-CE 4.21Å; L129-M317 HydrophobicContact CD2-SD 4.23Å; L129-M317 HydrophobicContact CG-CE 3.97Å; L129-M317 HydrophobicContact CG-SD 4.05Å; C140-M317 HydrophobicContact CB-CE 4.34Å; C140-M317 WeakPolarHBondContact SG-CE 3.47Å; V142-M317 HydrophobicContact CG2-CB 4.46Å; V142-M317 HydrophobicContact CG2-CG 4.13Å; T239-M317 HydrophobicContact CG2-CB 4.44Å; N240-M317 WeakPolarHBondContact O-CA 3.36Å; V241-M317 HydrophobicContact CG2-CG 4.34Å |
| 318 | L | 95.8 | Very high | 93.7 | Very high | 24 Ų | 24 | 50 Ų | 50 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.5 | 173.9 | -60.4 | 177.6 | 0 | 0 | 0 | 109.3 | N240 V242 V306 L311 V314 | N240-L318 HydrophobicContact CB-CB 4.32Å; N240-L318 PolarHBondContact N-O 2.85Å; N240-L318 PolarHBondContact O-N 2.86Å; V242-L318 HydrophobicContact CG2-CD1 4.19Å; V306-L318 HydrophobicContact CG2-CD2 3.87Å; L311-L318 HydrophobicContact CD1-CD1 4.05Å; V314-L318 HydrophobicContact CG1-CD2 4.02Å |
| 319 | I | 96.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.6 | -174 | -50.9 | -55.7 | 0 | 0 | 0 | 109.8 | V127 Q237 V238 T239 A288 A301 S303 S304 Y321 | V127-I319 HydrophobicContact CG1-CD1 4.12Å; V127-I319 HydrophobicContact CG1-CG1 4.2Å; V127-I319 HydrophobicContact CG2-CG1 4.3Å; Q237-I319 HydrophobicContact CG-CG2 4.05Å; V238-I319 WeakPolarHBondContact O-CA 3.37Å; T239-I319 HydrophobicContact CG2-CD1 3.47Å; T239-I319 VanDerWaalsContact CG2-CD1 3.47Å; T239-I319 WeakPolarHBondContact OG1-CD1 3.36Å; A288-I319 HydrophobicContact CB-CD1 3.48Å; A288-I319 VanDerWaalsContact CB-CD1 3.48Å; A288-I319 HydrophobicContact CB-CG1 4.23Å; A301-I319 HydrophobicContact CB-CB 4.45Å; A301-I319 HydrophobicContact CB-CG1 3.83Å; A301-I319 HydrophobicContact CB-CG2 4.18Å; S303-I319 WeakPolarHBondContact CA-O 3.42Å; S304-I319 PolarHBondContact N-O 3Å; S304-I319 PolarHBondContact OG-N 3.3Å; I319-Y321 HydrophobicContact CG2-CD2 4.35Å; I319-Y321 HydrophobicContact CG2-CE2 3.66Å |
| 320 | S | 97.4 | Very high | 94.6 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 160.3 | 170.4 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | V238 | V238-S320 PolarHBondContact N-O 2.95Å; V238-S320 PolarHBondContact O-N 2.99Å |
| 321 | Y | 98.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.8 | 179.6 | -67.9 | -97.7 | 0 | 0 | 0 | 110.6 | V235 E236 Q237 V253 L300 A301 S303 I319 P343 F344 L346 | V235-Y321 HydrophobicContact CG1-CD1 4.06Å; E236-Y321 WeakPolarHBondContact O-CA 3.47Å; Q237-Y321 HydrophobicContact CB-CD1 4.02Å; Q237-Y321 HydrophobicContact CB-CE1 3.63Å; Q237-Y321 HydrophobicContact CG-CD1 4.32Å; Q237-Y321 HydrophobicContact CG-CE1 3.68Å; Q237-Y321 HydrophobicContact CG-CE2 4.46Å; Q237-Y321 PolarHBondContact NE2-OH 3.31Å; V253-Y321 HydrophobicContact CG2-CD1 4.45Å; V253-Y321 HydrophobicContact CG2-CE1 4.19Å; L300-Y321 WeakPolarHBondContact CB-OH 3.35Å; A301-Y321 VanDerWaalsContact O-CE2 3.27Å; A301-Y321 WeakPolarHBondContact O-CE2 3.29Å; A301-Y321 PolarHBondContact O-OH 3.23Å; S303-Y321 WeakPolarHBondContact OG-CD2 3.34Å; I319-Y321 HydrophobicContact CG2-CD2 4.35Å; I319-Y321 HydrophobicContact CG2-CE2 3.66Å; Y321-P343 WeakPolarHBondContact O-CA 3.37Å; Y321-F344 HydrophobicContact CD1-CZ 4.44Å; Y321-F344 HydrophobicContact CG-CZ 4.32Å; Y321-F344 PolarHBondContact O-N 2.82Å; Y321-L346 HydrophobicContact CD1-CD2 4.43Å; Y321-L346 HydrophobicContact CD2-CB 3.81Å; Y321-L346 HydrophobicContact CE1-CD2 3.87Å; Y321-L346 HydrophobicContact CE2-CB 3.81Å; Y321-L346 HydrophobicContact CE2-CD2 4.24Å; Y321-L346 HydrophobicContact CG-CB 4.18Å |
| 322 | K | 98.3 | Very high | 94.3 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 148.3 | 172 | 53.7 | 173.3 | 177.3 | 158.9 | 0 | 110.6 | V235 E236 V324 E341 V342 | V235-K322 WeakPolarHBondContact CA-O 3.48Å; E236-K322 HydrophobicContact CB-CG 4.08Å; E236-K322 PolarHBondContact N-O 2.83Å; E236-K322 PolarHBondContact O-N 2.97Å; E236-K322 VanDerWaalsContact O-N 3.08Å; E236-K322 WeakPolarHBondContact OE2-CE 3.42Å; E236-K322 IonicContact OE2-NZ 2.71Å; E236-K322 PolarHBondContact OE2-NZ 3.19Å; K322-V324 HydrophobicContact CD-CG2 3.78Å; K322-V324 HydrophobicContact CG-CG2 3.92Å; K322-E341 HydrophobicContact CD-CB 4.28Å; K322-E341 HydrophobicContact CD-CG 4.46Å; K322-E341 WeakPolarHBondContact CD-OE2 3.3Å; K322-E341 IonicContact NZ-OE1 2.63Å; K322-E341 PolarHBondContact NZ-OE1 2.59Å; K322-E341 IonicContact NZ-OE2 2.68Å; K322-E341 PolarHBondContact NZ-OE2 2.66Å; K322-V342 CarbonylContact C-O 3.6Å; K322-V342 VanDerWaalsContact CA-O 3.29Å; K322-V342 WeakPolarHBondContact CA-O 3.29Å |
| 323 | V | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.3 | 163.2 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | L201 L203 V214 A216 L233 S234 V235 L274 E341 V342 F344 | L201-V323 HydrophobicContact CD1-CG1 4.46Å; L201-V323 HydrophobicContact CD2-CG1 4.15Å; L203-V323 HydrophobicContact CD1-CG2 4.07Å; L203-V323 HydrophobicContact CD2-CB 4.39Å; L203-V323 HydrophobicContact CD2-CG2 3.91Å; V214-V323 HydrophobicContact CG1-CG2 3.87Å; A216-V323 HydrophobicContact CB-CG1 4.27Å; L233-V323 HydrophobicContact CD2-CG1 4.34Å; S234-V323 CarbonylContact O-C 3.56Å; S234-V323 WeakPolarHBondContact O-CA 3.36Å; V235-V323 HydrophobicContact CG2-CG2 4.41Å; L274-V323 HydrophobicContact CD1-CG1 4.26Å; V323-E341 CarbonylContact O-C 3.48Å; V323-E341 VanDerWaalsContact O-CA 3.29Å; V323-E341 WeakPolarHBondContact O-CA 3.46Å; V323-V342 PolarHBondContact N-O 3.16Å; V323-V342 PolarHBondContact O-N 2.82Å; V323-F344 HydrophobicContact CG2-CD1 3.94Å; V323-F344 HydrophobicContact CG2-CE1 3.76Å |
| 324 | V | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.1 | 178.7 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | L233 S234 E236 K322 K326 V340 E341 | L233-V324 CarbonylContact C-O 3.53Å; L233-V324 WeakPolarHBondContact CA-O 3.21Å; S234-V324 PolarHBondContact N-O 3.29Å; S234-V324 PolarHBondContact O-N 3.13Å; E236-V324 HydrophobicContact CB-CG2 4.38Å; E236-V324 HydrophobicContact CG-CG2 3.89Å; K322-V324 HydrophobicContact CD-CG2 3.78Å; K322-V324 HydrophobicContact CG-CG2 3.92Å; V324-K326 HydrophobicContact CG1-CD 4.4Å; V324-K326 HydrophobicContact CG1-CG 3.8Å; V324-V340 WeakPolarHBondContact CA-O 3.37Å; V324-E341 HydrophobicContact CB-CG 4.49Å; V324-E341 HydrophobicContact CG1-CG 4.14Å; V324-E341 HydrophobicContact CG2-CB 4.46Å; V324-E341 HydrophobicContact CG2-CG 3.98Å |
| 325 | L | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.1 | 166.9 | 174.1 | 66.8 | 0 | 0 | 0 | 107.9 | V199 L201 V218 I231 L233 M327 S339 V340 | V199-L325 HydrophobicContact CG1-CD2 3.63Å; L201-L325 HydrophobicContact CD2-CB 4.12Å; V218-L325 HydrophobicContact CG1-CD1 4.4Å; V218-L325 HydrophobicContact CG1-CD2 3.76Å; V218-L325 HydrophobicContact CG2-CD1 4.29Å; V218-L325 HydrophobicContact CG2-CD2 4.23Å; I231-L325 HydrophobicContact CG2-CD1 3.85Å; L233-L325 HydrophobicContact CD1-CD1 3.76Å; L233-L325 HydrophobicContact CG-CD1 3.92Å; L325-M327 HydrophobicContact CD2-CE 3.96Å; L325-M327 HydrophobicContact CG-CE 4.28Å; L325-S339 CarbonylContact O-C 3.57Å; L325-S339 VanDerWaalsContact O-CA 3.22Å; L325-S339 WeakPolarHBondContact O-CA 3.31Å; L325-V340 PolarHBondContact N-O 3.43Å; L325-V340 PolarHBondContact O-N 2.84Å |
| 326 | K | 98.1 | Very high | 94 | Very high | 70 Ų | 70 | 35 Ų | 35 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.6 | 173.5 | -62.4 | -169.3 | 174.2 | -166.4 | 0 | 110.2 | I231 S232 V324 E337 V338 | I231-K326 WeakPolarHBondContact CA-O 3.11Å; S232-K326 PolarHBondContact N-O 3.18Å; S232-K326 PolarHBondContact O-N 3.29Å; V324-K326 HydrophobicContact CG1-CD 4.4Å; V324-K326 HydrophobicContact CG1-CG 3.8Å; K326-E337 IonicContact NZ-OE1 2.54Å; K326-V338 WeakPolarHBondContact CA-O 3.37Å |
| 327 | M | 97.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 162.5 | 177.2 | 64.1 | -167.9 | 127.2 | 0 | 0 | 110.7 | V199 I220 I228 I231 L325 V338 | V199-M327 HydrophobicContact CB-CE 4.19Å; V199-M327 HydrophobicContact CG1-CE 3.67Å; V199-M327 HydrophobicContact CG2-CE 3.49Å; V199-M327 VanDerWaalsContact CG2-CE 3.49Å; I220-M327 HydrophobicContact CD1-SD 3.97Å; I228-M327 HydrophobicContact CG2-CB 3.74Å; I228-M327 HydrophobicContact CG2-CG 3.78Å; I228-M327 HydrophobicContact CG2-SD 3.42Å; I228-M327 WeakPolarHBondContact CG2-SD 3.4Å; I231-M327 HydrophobicContact CG1-CB 3.95Å; L325-M327 HydrophobicContact CD2-CE 3.96Å; L325-M327 HydrophobicContact CG-CE 4.28Å; M327-V338 HydrophobicContact CE-CB 4.25Å; M327-V338 HydrophobicContact CE-CG1 3.75Å; M327-V338 HydrophobicContact CG-CB 3.79Å; M327-V338 HydrophobicContact CG-CG1 4.33Å; M327-V338 PolarHBondContact N-O 2.79Å; M327-V338 PolarHBondContact O-N 3.4Å |
| 328 | I | 97.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.8 | 178.7 | -59.3 | -172.4 | 0 | 0 | 0 | 109.6 | I228 K229 D230 S330 | I228-I328 WeakPolarHBondContact CA-O 3.46Å; K229-I328 PolarHBondContact N-O 3.27Å; K229-I328 PolarHBondContact O-N 3.22Å; D230-I328 HydrophobicContact CB-CB 4.47Å; D230-I328 HydrophobicContact CB-CD1 4.18Å; D230-I328 HydrophobicContact CB-CG1 4.14Å; D230-I328 WeakPolarHBondContact OD2-CD1 3.43Å; I328-S330 PolarHBondContact O-N 3.02Å |
| 329 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 103.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F190 R226 I228 S335 S336 V338 | F190-A329 HydrophobicContact CD1-CB 4.46Å; F190-A329 HydrophobicContact CE1-CB 3.69Å; F190-A329 HydrophobicContact CE2-CB 4.12Å; F190-A329 HydrophobicContact CZ-CB 3.49Å; F190-A329 VanDerWaalsContact CZ-CB 3.49Å; R226-A329 HydrophobicContact CB-CB 4.17Å; I228-A329 HydrophobicContact CD1-CB 3.71Å; A329-S335 CarbonylContact O-C 3.54Å; A329-S335 VanDerWaalsContact O-CA 3.31Å; A329-S335 WeakPolarHBondContact O-CA 3.41Å; A329-S336 PolarHBondContact N-O 2.93Å; A329-S336 PolarHBondContact O-N 2.83Å; A329-V338 HydrophobicContact CB-CG2 4.14Å |
| 330 | S | 93.6 | Very high | 94.3 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.4 | -178.2 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | R226 N227 I328 | R226-S330 CarbonylContact C-O 3.56Å; R226-S330 WeakPolarHBondContact CA-O 3.08Å; N227-S330 PolarHBondContact N-O 2.95Å; N227-S330 PolarHBondContact O-N 2.8Å; I328-S330 PolarHBondContact O-N 3.02Å |
| 331 | G | 86.5 | Confident | 94.3 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 32% | 0.32 | 27% | 0.274 | S | S | . | . | trans | -136.1 | -169 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R226 V333 G334 | R226-G331 VanDerWaalsContact CD-CA 3.42Å; G331-V333 VanDerWaalsContact C-N 3.28Å; G331-V333 PolarHBondContact O-N 3.43Å; G331-G334 PolarHBondContact N-O 2.9Å | ||
| 332 | T | 80.4 | Confident | 94.3 | Very high | 145 Ų | 145 | 44.7 Ų | 44.7 | 89% | 0.89 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -63.5 | -34.5 | -178.8 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 333 | V | 79.7 | Confident | 94.2 | Very high | 112 Ų | 112 | 47.8 Ų | 47.8 | 68% | 0.679 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -117 | 90.5 | 176.4 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | R226 G331 | R226-V333 PolarHBondContact NH1-O 2.83Å; G331-V333 VanDerWaalsContact C-N 3.28Å; G331-V333 PolarHBondContact O-N 3.43Å |
| 334 | G | 86.9 | Confident | 94.1 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 56% | 0.557 | 30% | 0.298 | S | S | * | . | trans | 76.6 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R226 G331 | R226-G334 PolarHBondContact NH1-O 2.84Å; G331-G334 PolarHBondContact N-O 2.9Å | ||
| 335 | S | 92.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 156.4 | 174.1 | 58 | 0 | 0 | 0 | 0 | 111.5 | A329 | A329-S335 CarbonylContact O-C 3.54Å; A329-S335 VanDerWaalsContact O-CA 3.31Å; A329-S335 WeakPolarHBondContact O-CA 3.41Å |
| 336 | S | 94.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.6 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | A329 | A329-S336 PolarHBondContact N-O 2.93Å; A329-S336 PolarHBondContact O-N 2.83Å |
| 337 | E | 95.7 | Very high | 93.5 | Very high | 135 Ų | 135 | 47.3 Ų | 47.3 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130.7 | 172.1 | -172.7 | 178.9 | 179.2 | 0 | 0 | 109.1 | K326 | K326-E337 IonicContact NZ-OE1 2.54Å |
| 338 | V | 96.5 | Very high | 93 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.1 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | F188 F190 L197 K326 M327 A329 | F188-V338 HydrophobicContact CD1-CG1 3.88Å; F188-V338 HydrophobicContact CD2-CG1 3.57Å; F188-V338 HydrophobicContact CE1-CG1 3.69Å; F188-V338 HydrophobicContact CE2-CG1 3.36Å; F188-V338 HydrophobicContact CG-CG1 3.82Å; F188-V338 HydrophobicContact CZ-CG1 3.42Å; F188-V338 VanDerWaalsContact CZ-CG1 3.42Å; F190-V338 HydrophobicContact CE1-CG2 3.96Å; F190-V338 HydrophobicContact CZ-CG2 3.82Å; L197-V338 HydrophobicContact CD2-CG1 4.47Å; L197-V338 HydrophobicContact CD2-CG2 4.43Å; K326-V338 WeakPolarHBondContact CA-O 3.37Å; M327-V338 HydrophobicContact CE-CB 4.25Å; M327-V338 HydrophobicContact CE-CG1 3.75Å; M327-V338 HydrophobicContact CG-CB 3.79Å; M327-V338 HydrophobicContact CG-CG1 4.33Å; M327-V338 PolarHBondContact N-O 2.79Å; M327-V338 PolarHBondContact O-N 3.4Å; A329-V338 HydrophobicContact CB-CG2 4.14Å |
| 339 | S | 97.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 141.5 | 177.1 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | L325 | L325-S339 CarbonylContact O-C 3.57Å; L325-S339 VanDerWaalsContact O-CA 3.22Å; L325-S339 WeakPolarHBondContact O-CA 3.31Å |
| 340 | V | 98.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134.8 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | A184 M186 F188 V199 L201 V324 L325 | A184-V340 HydrophobicContact CB-CG1 3.57Å; M186-V340 HydrophobicContact CB-CG2 4.15Å; M186-V340 HydrophobicContact CG-CG1 4.33Å; M186-V340 HydrophobicContact CG-CG2 4.25Å; F188-V340 HydrophobicContact CE2-CG2 3.84Å; F188-V340 HydrophobicContact CZ-CG2 3.86Å; V199-V340 HydrophobicContact CB-CG2 4.06Å; V199-V340 HydrophobicContact CG1-CB 4.45Å; V199-V340 HydrophobicContact CG1-CG2 3.72Å; L201-V340 HydrophobicContact CB-CG1 3.99Å; L201-V340 HydrophobicContact CD2-CG1 4.45Å; V324-V340 WeakPolarHBondContact CA-O 3.37Å; L325-V340 PolarHBondContact N-O 3.43Å; L325-V340 PolarHBondContact O-N 2.84Å |
| 341 | E | 98 | Very high | 89.9 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 41% | 0.407 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.6 | -174.2 | -49.1 | -168 | 155.6 | 0 | 0 | 110.9 | K322 V323 V324 | K322-E341 HydrophobicContact CD-CB 4.28Å; K322-E341 HydrophobicContact CD-CG 4.46Å; K322-E341 WeakPolarHBondContact CD-OE2 3.3Å; K322-E341 IonicContact NZ-OE1 2.63Å; K322-E341 PolarHBondContact NZ-OE1 2.59Å; K322-E341 IonicContact NZ-OE2 2.68Å; K322-E341 PolarHBondContact NZ-OE2 2.66Å; V323-E341 CarbonylContact O-C 3.48Å; V323-E341 VanDerWaalsContact O-CA 3.29Å; V323-E341 WeakPolarHBondContact O-CA 3.46Å; V324-E341 HydrophobicContact CB-CG 4.49Å; V324-E341 HydrophobicContact CG1-CG 4.14Å; V324-E341 HydrophobicContact CG2-CB 4.46Å; V324-E341 HydrophobicContact CG2-CG 3.98Å |
| 342 | V | 98.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 118 | 172.6 | 176.8 | 0 | 0 | 0 | 0 | 109.2 | P182 A184 L201 L203 K322 V323 | P182-V342 HydrophobicContact CB-CG1 3.78Å; P182-V342 HydrophobicContact CG-CG1 4.05Å; A184-V342 HydrophobicContact CB-CG2 3.58Å; L201-V342 HydrophobicContact CB-CG2 4Å; L201-V342 HydrophobicContact CD2-CB 4.18Å; L201-V342 HydrophobicContact CD2-CG2 3.75Å; L201-V342 HydrophobicContact CG-CB 4.38Å; L201-V342 HydrophobicContact CG-CG2 3.69Å; L201-V342 WeakPolarHBondContact O-CG2 3.43Å; L203-V342 HydrophobicContact CD1-CB 4.43Å; L203-V342 HydrophobicContact CD1-CG1 3.8Å; L203-V342 HydrophobicContact CG-CG1 3.97Å; K322-V342 CarbonylContact C-O 3.6Å; K322-V342 VanDerWaalsContact CA-O 3.29Å; K322-V342 WeakPolarHBondContact CA-O 3.29Å; V323-V342 PolarHBondContact N-O 3.16Å; V323-V342 PolarHBondContact O-N 2.82Å |
| 343 | P | 97.2 | Very high | 86.2 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 60% | 0.597 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 149.3 | 176.9 | 30.8 | -34.3 | 0 | 0 | 0 | 111.4 | Y321 | Y321-P343 WeakPolarHBondContact O-CA 3.37Å |
| 344 | F | 95.9 | Very high | 84.4 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 169.5 | 172.6 | 76.1 | -85.1 | 0 | 0 | 0 | 111 | L203 E206 F208 V214 V235 Y321 V323 L346 | L203-F344 HydrophobicContact CD1-CB 3.8Å; L203-F344 HydrophobicContact CD1-CD1 4.17Å; L203-F344 HydrophobicContact CD1-CG 4.2Å; E206-F344 CarbonylContact O-C 3.59Å; E206-F344 WeakPolarHBondContact O-CA 3.41Å; E206-F344 WeakPolarHBondContact O-CB 3.42Å; F208-F344 HydrophobicContact CB-CD2 4.44Å; F208-F344 HydrophobicContact CB-CE2 4.43Å; F208-F344 HydrophobicContact CD2-CB 4.4Å; F208-F344 AromaticContact CD2-CD2 3.57Å; F208-F344 HydrophobicContact CD2-CD2 3.57Å; F208-F344 HydrophobicContact CD2-CE2 4.14Å; F208-F344 HydrophobicContact CD2-CG 4.23Å; F208-F344 HydrophobicContact CE2-CB 4.47Å; F208-F344 HydrophobicContact CE2-CD2 4.26Å; F208-F344 HydrophobicContact CG-CD2 4.36Å; V214-F344 HydrophobicContact CG2-CE2 4.15Å; V214-F344 HydrophobicContact CG2-CZ 4.17Å; V235-F344 HydrophobicContact CG1-CE1 3.86Å; V235-F344 HydrophobicContact CG1-CZ 3.62Å; Y321-F344 HydrophobicContact CD1-CZ 4.44Å; Y321-F344 HydrophobicContact CG-CZ 4.32Å; Y321-F344 PolarHBondContact O-N 2.82Å; V323-F344 HydrophobicContact CG2-CD1 3.94Å; V323-F344 HydrophobicContact CG2-CE1 3.76Å; F344-L346 HydrophobicContact CE2-CB 4.06Å |
| 345 | K | 95.1 | Very high | 81.9 | Confident | 51 Ų | 51 | 62 Ų | 62 | 22% | 0.222 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.4 | 177.5 | -68 | 167 | 178.8 | 149.2 | 0 | 110.6 | E206 T207 F208 S303 I305 M347 | E206-K345 PolarHBondContact O-N 3.31Å; E206-K345 VanDerWaalsContact OE1-CE 3.29Å; E206-K345 WeakPolarHBondContact OE1-CE 3.47Å; E206-K345 IonicContact OE1-NZ 2.8Å; E206-K345 PolarHBondContact OE1-NZ 3.16Å; E206-K345 IonicContact OE2-NZ 4Å; T207-K345 CarbonylContact C-O 3.54Å; T207-K345 WeakPolarHBondContact CA-O 3.47Å; T207-K345 HydrophobicContact CG2-CB 4.23Å; F208-K345 PolarHBondContact N-O 2.86Å; S303-K345 WeakPolarHBondContact OG-CA 3.49Å; I305-K345 HydrophobicContact CD1-CD 4.34Å; K345-M347 HydrophobicContact CB-CG 4.25Å; K345-M347 HydrophobicContact CB-SD 4.22Å |
| 346 | L | 95.1 | Very high | 79.3 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.3 | 170.5 | -176.3 | 67.2 | 0 | 0 | 0 | 108.5 | F208 L300 S302 S303 Y321 F344 | F208-L346 HydrophobicContact CB-CD1 4.24Å; F208-L346 WeakPolarHBondContact O-CA 3.33Å; L300-L346 HydrophobicContact CB-CD2 4.39Å; L300-L346 HydrophobicContact CD1-CD2 4.23Å; S302-L346 CarbonylContact C-O 3.58Å; S302-L346 VanDerWaalsContact CA-O 3.24Å; S302-L346 WeakPolarHBondContact CA-O 3.34Å; S303-L346 PolarHBondContact N-O 3.48Å; S303-L346 PolarHBondContact OG-N 2.85Å; Y321-L346 HydrophobicContact CD1-CD2 4.43Å; Y321-L346 HydrophobicContact CD2-CB 3.81Å; Y321-L346 HydrophobicContact CE1-CD2 3.87Å; Y321-L346 HydrophobicContact CE2-CB 3.81Å; Y321-L346 HydrophobicContact CE2-CD2 4.24Å; Y321-L346 HydrophobicContact CG-CB 4.18Å; F344-L346 HydrophobicContact CE2-CB 4.06Å |
| 347 | M | 92.6 | Very high | 76.6 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 167.6 | -169 | -57.4 | -171.4 | 78.7 | 0 | 0 | 113.1 | Q172 F173 T207 F208 Y209 H210 I305 K345 | Q172-M347 HydrophobicContact CB-CE 4.22Å; Q172-M347 HydrophobicContact CG-CE 3.81Å; F173-M347 VanDerWaalsContact O-CE 3.22Å; F173-M347 WeakPolarHBondContact O-CE 3.38Å; T207-M347 HydrophobicContact CG2-CG 4.43Å; T207-M347 HydrophobicContact CG2-SD 4.38Å; F208-M347 PolarHBondContact O-N 3.04Å; Y209-M347 WeakPolarHBondContact CA-O 3.46Å; H210-M347 VanDerWaalsContact CD2-C 3.43Å; H210-M347 PolarHBondContact CD2-O 3.16Å; H210-M347 VanDerWaalsContact CD2-O 3.29Å; H210-M347 PolarHBondContact N-O 2.81Å; H210-M347 VanDerWaalsContact N-O 3.14Å; I305-M347 HydrophobicContact CD1-CE 3.57Å; I305-M347 HydrophobicContact CD1-SD 3.7Å; I305-M347 HydrophobicContact CG1-CE 4.08Å; I305-M347 HydrophobicContact CG1-SD 4.41Å; K345-M347 HydrophobicContact CB-CG 4.25Å; K345-M347 HydrophobicContact CB-SD 4.22Å |
| 348 | N | 87 | Confident | 73.6 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 10% | 0.102 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 142.9 | 166.8 | -71.3 | -62.1 | 0 | 0 | 0 | 110.1 | F173 S174 H210 D290 N299 S302 | F173-N348 HydrophobicContact CD1-CB 3.64Å; F173-N348 HydrophobicContact CE1-CB 3.82Å; S174-N348 PolarHBondContact N-O 2.82Å; S174-N348 VanDerWaalsContact N-O 3.1Å; H210-N348 PolarHBondContact CD2-OD1 3.24Å; H210-N348 VanDerWaalsContact CD2-OD1 3.28Å; D290-N348 PolarHBondContact OD2-ND2 2.89Å; N299-N348 PolarHBondContact ND2-OD1 2.92Å; S302-N348 PolarHBondContact OG-ND2 3.46Å |
| 349 | P | 83.3 | Confident | 70.6 | Confident | 59 Ų | 59 | 74 Ų | 74 | 38% | 0.383 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 148.5 | 176.5 | 29 | -34.7 | 0 | 0 | 0 | 111.1 | F173 Y209 S351 | F173-P349 WeakPolarHBondContact CD1-O 3.31Å; Y209-P349 HydrophobicContact CD1-CB 3.9Å; Y209-P349 VanDerWaalsContact CE1-CA 3.45Å; Y209-P349 HydrophobicContact CE1-CB 3.95Å; Y209-P349 HydrophobicContact CG-CB 4.23Å; P349-S351 PolarHBondContact O-N 2.98Å |
| 350 | K | 76.1 | Confident | 67.5 | Low | 126 Ų | 126 | 79.3 Ų | 79.3 | 55% | 0.548 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 128.8 | 173.9 | -165.2 | 172.5 | -174.6 | 173.8 | 0 | 109 | E352 | K350-E352 PolarHBondContact O-N 2.74Š|
| 351 | S | 62.2 | Low | 64.5 | Low | 50 Ų | 50 | 83.7 Ų | 83.7 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 122.8 | 174 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | F173 P349 | F173-S351 WeakPolarHBondContact CE2-OG 3.32Å; P349-S351 PolarHBondContact O-N 2.98Å |
| 352 | E | 49.8 | Very low | 61.1 | Low | 119 Ų | 119 | 84.6 Ų | 84.6 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 137.8 | 167.8 | -70.4 | -176 | 158.9 | 0 | 0 | 109.7 | K350 G354 K355 | K350-E352 PolarHBondContact O-N 2.74Å; E352-G354 PolarHBondContact O-N 3.05Å; E352-K355 PolarHBondContact O-N 3.39Å; E352-K355 WeakPolarHBondContact OE2-CE 3.46Å; E352-K355 IonicContact OE2-NZ 2.73Å; E352-K355 PolarHBondContact OE2-NZ 3.02Å |
| 353 | P | 38.9 | Very low | 58 | Low | 141 Ų | 141 | 90.1 Ų | 90.1 | 92% | 0.916 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 109.9 | 176.2 | 22.8 | -30.4 | 0 | 0 | 0 | 110 | ||
| 354 | G | 41.6 | Very low | 55 | Low | 78 Ų | 78 | 95.5 Ų | 95.5 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.4 | -0.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | E352 | E352-G354 PolarHBondContact O-N 3.05Š|
| 355 | K | 34.7 | Very low | 53 | Low | 144 Ų | 144 | 99.8 Ų | 99.8 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | trans | -109.5 | 110.8 | 169.3 | -74.2 | 176.2 | -175.3 | 156.4 | 0 | 110 | E352 L357 | E352-K355 PolarHBondContact O-N 3.39Å; E352-K355 WeakPolarHBondContact OE2-CE 3.46Å; E352-K355 IonicContact OE2-NZ 2.73Å; E352-K355 PolarHBondContact OE2-NZ 3.02Å; K355-L357 PolarHBondContact O-N 3.4Å | ||
| 356 | D | 37.9 | Very low | 50.7 | Low | 123 Ų | 123 | 102.4 Ų | 102.4 | 66% | 0.658 | 59% | 0.593 | S | S | * | * | trans | -54 | 138.8 | 162.5 | -68.6 | -44.5 | 0 | 0 | 0 | 108.6 | K358 | D356-K358 VanDerWaalsContact C-N 3.33Å; D356-K358 PolarHBondContact O-N 3.03Å | ||
| 357 | L | 38.1 | Very low | 48.3 | Very low | 113 Ų | 113 | 108 Ų | 108 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | trans | -53.8 | 95.5 | 174.4 | -116.6 | 80.7 | 0 | 0 | 0 | 108.9 | F173 K355 C359 | F173-L357 HydrophobicContact CZ-CD1 3.96Å; K355-L357 PolarHBondContact O-N 3.4Å; L357-C359 PolarHBondContact O-N 2.89Å | ||
| 358 | K | 32.1 | Very low | 45.7 | Very low | 191 Ų | 191 | 114.4 Ų | 114.4 | 83% | 0.83 | 66% | 0.663 | S | S | * | * | trans | -76 | 117.7 | 161.3 | -75.7 | -172.2 | 178.5 | -177.6 | 0 | 106 | D356 L360 | D356-K358 VanDerWaalsContact C-N 3.33Å; D356-K358 PolarHBondContact O-N 3.03Å; K358-L360 PolarHBondContact O-N 2.88Å; K358-L360 VanDerWaalsContact O-N 3.13Å | ||
| 359 | C | 33.7 | Very low | 43.1 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | trans | -44.7 | 119.3 | 168.6 | -149.4 | 0 | 0 | 0 | 0 | 108.7 | L357 T361 | L357-C359 PolarHBondContact O-N 2.89Å; C359-T361 HydrophobicContact CB-CG2 4.31Å; C359-T361 PolarHBondContact O-N 3.44Å | ||
| 360 | L | 32.2 | Very low | 40.4 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -71.1 | 83.7 | 169.3 | -78.1 | 159.6 | 0 | 0 | 0 | 107.1 | K358 | K358-L360 PolarHBondContact O-N 2.88Å; K358-L360 VanDerWaalsContact O-N 3.13Å | ||
| 361 | T | 34.2 | Very low | 37.9 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 59% | 0.589 | 73% | 0.731 | S | S | * | * | trans | -102.7 | 131.3 | 169.5 | 51 | 0 | 0 | 0 | 0 | 110.6 | C359 | C359-T361 HydrophobicContact CB-CG2 4.31Å; C359-T361 PolarHBondContact O-N 3.44Å | ||
| 362 | S | 27.6 | Very low | 36 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 69.9 | 122.7 | 166 | 56.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 363 | P | 32.9 | Very low | 34.8 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -70.5 | 160.6 | 149.4 | 29.9 | -23.5 | 0 | 0 | 0 | 109.9 | ||||
| 364 | P | 34.3 | Very low | 34.5 | Very low | 204 Ų | 204 | 130 Ų | 130 | 100% | 1.325 | 77% | 0.765 | S | S | * | * | trans | -58.2 | 0 | -178.9 | 24.8 | -35.1 | 0 | 0 | 0 | 114.4 |
Retrieved 364 of 364 residues in 575.3 ms
(Link to these results)