| 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 | 69.2 | Low | 67.8 | Low | 33 Ų | 33 | 44.7 Ų | 44.7 | 16% | 0.163 | 22% | 0.221 | C | C | . | . | 0 | 155.9 | 0 | -65.5 | -71.7 | -87.6 | 0 | 0 | 108 | I293 M306 W318 L324 W336 A337 P338 | M1-I293 HydrophobicContact CG-CD1 4.25Å; M1-M306 HydrophobicContact CB-SD 3.84Å; M1-M306 HydrophobicContact CG-SD 3.68Å; M1-W318 HydrophobicContact CE-CH2 4.42Å; M1-W318 HydrophobicContact CE-CZ3 3.99Å; M1-L324 HydrophobicContact CE-CB 4.11Å; M1-W336 HydrophobicContact CB-CB 4.17Å; M1-W336 HydrophobicContact CB-CE3 4.19Å; M1-W336 HydrophobicContact CE-CB 3.91Å; M1-A337 CarbonylContact C-O 3.6Å; M1-A337 WeakPolarHBondContact CA-O 3.37Å; M1-A337 VanDerWaalsContact SD-C 3.58Å; M1-P338 HydrophobicContact SD-CB 4.13Å | |||
| 2 | L | 68.2 | Low | 67.4 | Low | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134.7 | 163.5 | -98.8 | 173.1 | 0 | 0 | 0 | 108.7 | L4 W336 A337 C339 L344 N348 C352 | L2-L4 PolarHBondContact O-N 2.93Å; L2-W336 CarbonylContact O-C 3.56Å; L2-W336 WeakPolarHBondContact O-CA 3.29Å; L2-A337 PolarHBondContact N-O 3.37Å; L2-A337 PolarHBondContact O-N 3.12Å; L2-C339 HydrophobicContact CB-CB 4.12Å; L2-C339 HydrophobicContact CD1-CB 3.46Å; L2-C339 VanDerWaalsContact CD1-CB 3.46Å; L2-C339 WeakPolarHBondContact CD1-SG 3.32Å; L2-C339 HydrophobicContact CG-CB 3.72Å; L2-L344 HydrophobicContact CD1-CD2 3.36Å; L2-N348 HydrophobicContact CD2-CB 3.93Å; L2-C352 WeakPolarHBondContact CD2-SG 3.36Å |
| 3 | C | 74.1 | Confident | 66.9 | Low | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.054 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 111.8 | 157.8 | -168.7 | 0 | 0 | 0 | 0 | 106.7 | W336 Y351 | C3-W336 HydrophobicContact CB-CD2 4.34Å; C3-W336 HydrophobicContact CB-CE3 3.78Å; C3-W336 HydrophobicContact CB-CH2 4Å; C3-W336 HydrophobicContact CB-CZ3 3.59Å; C3-Y351 WeakPolarHBondContact CB-O 3.38Å; C3-Y351 PolarHBondContact N-O 2.82Å |
| 4 | L | 69.2 | Low | 67.2 | Low | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -65.1 | 172.9 | -66.3 | -177.7 | 0 | 0 | 0 | 108.3 | L2 A49 E50 N52 I335 A337 | L2-L4 PolarHBondContact O-N 2.93Å; L4-A49 HydrophobicContact CD1-CB 4.37Å; L4-E50 HydrophobicContact CD1-CG 3.88Å; L4-N52 VanDerWaalsContact C-OD1 3.32Å; L4-N52 PolarHBondContact O-ND2 3.43Å; L4-N52 PolarHBondContact O-OD1 3.31Å; L4-I335 HydrophobicContact CD1-CG2 4.3Å; L4-I335 PolarHBondContact N-O 2.93Å; L4-A337 HydrophobicContact CD1-CB 3.55Å; L4-A337 HydrophobicContact CD2-CB 4.03Å; L4-A337 HydrophobicContact CG-CB 3.71Å |
| 5 | S | 65.3 | Low | 68 | Low | 11 Ų | 11 | 57.1 Ų | 57.1 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.9 | -174.3 | -177 | 0 | 0 | 0 | 0 | 111 | I54 R334 I335 | S5-I54 WeakPolarHBondContact OG-CD1 3.39Å; S5-R334 WeakPolarHBondContact O-CA 3.21Å; S5-I335 PolarHBondContact O-N 3.19Å |
| 6 | V | 70.1 | Confident | 68.8 | Low | 68 Ų | 68 | 55.5 Ų | 55.5 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123 | 165.9 | -174.5 | 0 | 0 | 0 | 0 | 106 | R334 | V6-R334 HydrophobicContact CG1-CG 4.23Å; V6-R334 HydrophobicContact CG2-CG 4.21Å |
| 7 | A | 72.2 | Confident | 69.7 | Low | 17 Ų | 17 | 52.3 Ų | 52.3 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 156.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I54 S332 W333 | A7-I54 HydrophobicContact CB-CD1 3.95Å; A7-S332 VanDerWaalsContact O-CA 3.31Å; A7-S332 WeakPolarHBondContact O-CA 3.33Å; A7-W333 HydrophobicContact CB-CD2 3.97Å; A7-W333 HydrophobicContact CB-CG 4.47Å; A7-W333 HydrophobicContact CB-CH2 4.33Å; A7-W333 HydrophobicContact CB-CZ2 3.62Å; A7-W333 PolarHBondContact N-O 3.18Å; A7-W333 PolarHBondContact O-N 3.08Å; A7-W333 VanDerWaalsContact O-O 3.12Å |
| 8 | R | 70.9 | Confident | 70.7 | Confident | 166 Ų | 166 | 50.9 Ų | 50.9 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 170.5 | 167.2 | -73.2 | -175.3 | 174.4 | -173.2 | -5.2 | 109.5 | E10 P331 W333 | R8-E10 PolarHBondContact O-N 3.26Å; R8-E10 VanDerWaalsContact O-N 3.11Å; R8-P331 WeakPolarHBondContact CA-O 3.39Å; R8-W333 PolarHBondContact O-NE1 2.91Å; R8-W333 VanDerWaalsContact O-NE1 3.08Å |
| 9 | N | 63.5 | Low | 71.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -70 | 100.8 | 168.5 | -171.3 | 20.5 | 0 | 0 | 0 | 109.6 | V11 H12 E13 N42 Y44 P331 | N9-V11 PolarHBondContact ND2-O 2.91Å; N9-V11 PolarHBondContact O-N 2.95Å; N9-V11 VanDerWaalsContact O-N 3.08Å; N9-V11 PolarHBondContact OD1-O 3.15Å; N9-H12 PolarHBondContact ND2-O 2.95Å; N9-E13 WeakPolarHBondContact O-CA 3.35Å; N9-N42 PolarHBondContact OD1-ND2 3.5Å; N9-Y44 PolarHBondContact OD1-OH 3.01Å; N9-P331 PolarHBondContact N-O 3.08Å; N9-P331 VanDerWaalsContact N-O 3.13Å | ||
| 10 | E | 62.3 | Low | 72.8 | Confident | 109 Ų | 109 | 45.8 Ų | 45.8 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -61.1 | -15.1 | -179.8 | -65.1 | 179 | 166.8 | 0 | 0 | 114.1 | R8 L56 | R8-E10 PolarHBondContact O-N 3.26Å; R8-E10 VanDerWaalsContact O-N 3.11Å; E10-L56 VanDerWaalsContact OE2-CB 3.25Å; E10-L56 WeakPolarHBondContact OE2-CB 3.32Å |
| 11 | V | 60.8 | Low | 73.8 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 22% | 0.218 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -126.6 | 105.9 | -177.8 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | N9 L56 | N9-V11 PolarHBondContact ND2-O 2.91Å; N9-V11 PolarHBondContact O-N 2.95Å; N9-V11 VanDerWaalsContact O-N 3.08Å; N9-V11 PolarHBondContact OD1-O 3.15Å; V11-L56 HydrophobicContact CG2-CD2 3.46Å; V11-L56 VanDerWaalsContact CG2-CD2 3.46Å |
| 12 | H | 62.4 | Low | 75 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 42% | 0.421 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 64.6 | 83.1 | -164.5 | -51.3 | -78.4 | 0 | 0 | 0 | 111.8 | N9 D14 D15 | N9-H12 PolarHBondContact ND2-O 2.95Å; H12-D14 PolarHBondContact O-N 2.85Å; H12-D14 VanDerWaalsContact O-N 3.14Å; H12-D15 HydrophobicContact CB-CB 4.17Å; H12-D15 WeakPolarHBondContact CB-OD2 3.1Å; H12-D15 IonicContact CG-OD2 3.79Å; H12-D15 PolarHBondContact O-N 2.96Å |
| 13 | E | 61.6 | Low | 76.2 | Confident | 113 Ų | 113 | 45.8 Ų | 45.8 | 53% | 0.528 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.4 | -171.5 | -61.9 | -161.2 | 172.7 | 0 | 0 | 114.9 | N9 P331 | N9-E13 WeakPolarHBondContact O-CA 3.35Å; E13-P331 VanDerWaalsContact O-CB 3.24Å; E13-P331 WeakPolarHBondContact O-CB 3.36Å; E13-P331 WeakPolarHBondContact O-CG 3.14Å |
| 14 | D | 71.5 | Confident | 76.9 | Confident | 144 Ų | 144 | 48.3 Ų | 48.3 | 77% | 0.77 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -10.8 | -175.8 | -62.4 | -50.1 | 0 | 0 | 0 | 113.7 | H12 | H12-D14 PolarHBondContact O-N 2.85Å; H12-D14 VanDerWaalsContact O-N 3.14Å |
| 15 | D | 78.6 | Confident | 77.8 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | trans | -71.3 | 129.4 | -175.2 | -72.8 | 5 | 0 | 0 | 0 | 112 | H12 N36 I38 | H12-D15 HydrophobicContact CB-CB 4.17Å; H12-D15 WeakPolarHBondContact CB-OD2 3.1Å; H12-D15 IonicContact CG-OD2 3.79Å; H12-D15 PolarHBondContact O-N 2.96Å; D15-N36 HydrophobicContact CB-CB 4.27Å; D15-N36 PolarHBondContact OD2-ND2 2.98Å; D15-I38 WeakPolarHBondContact OD2-CD1 3.28Å; D15-I38 VanDerWaalsContact OD2-CG1 3.28Å; D15-I38 WeakPolarHBondContact OD2-CG1 3.39Å | ||
| 16 | P | 80.8 | Confident | 78.8 | Confident | 31 Ų | 31 | 56 Ų | 56 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | trans | -64.4 | 144.9 | 171.2 | 28 | -35.4 | 0 | 0 | 0 | 112 | N36 E37 | P16-N36 WeakPolarHBondContact O-CA 3.26Å; P16-E37 VanDerWaalsContact CD-CD 3.44Å; P16-E37 WeakPolarHBondContact CD-OE1 3.36Å; P16-E37 HydrophobicContact CG-CB 4.35Å; P16-E37 VanDerWaalsContact CG-CD 3.44Å; P16-E37 HydrophobicContact CG-CG 3.95Å; P16-E37 VanDerWaalsContact CG-OE2 3.24Å; P16-E37 WeakPolarHBondContact CG-OE2 3.42Å | ||
| 17 | L | 84.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.9 | 179.8 | -64 | 172.7 | 0 | 0 | 0 | 109.7 | M34 C35 N36 C314 C327 | L17-M34 HydrophobicContact CD1-CE 3.9Å; L17-M34 HydrophobicContact CD1-SD 4.23Å; L17-M34 HydrophobicContact CD2-CB 4.49Å; L17-C35 WeakPolarHBondContact CA-O 3.01Å; L17-N36 HydrophobicContact CD2-CB 4.14Å; L17-C314 PolarHBondContact O-SG 3.34Å; L17-C327 WeakPolarHBondContact CB-SG 3.1Å; L17-C327 VanDerWaalsContact CD1-SG 3.57Å |
| 18 | F | 87 | Confident | 80.4 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -39.5 | -175.3 | -71 | -55.6 | 0 | 0 | 0 | 114.1 | C35 E37 A66 I67 F68 Y270 | F18-C35 PolarHBondContact N-O 3.38Å; F18-E37 HydrophobicContact CE2-CB 3.57Å; F18-E37 HydrophobicContact CZ-CB 4.05Å; F18-A66 HydrophobicContact CD2-CB 4.38Å; F18-A66 HydrophobicContact CE2-CB 3.7Å; F18-I67 WeakPolarHBondContact CB-O 3.31Å; F18-I67 WeakPolarHBondContact CD2-O 3.08Å; F18-F68 HydrophobicContact CD1-CD1 4.43Å; F18-F68 HydrophobicContact CD2-CD1 4.11Å; F18-F68 HydrophobicContact CD2-CE1 4.29Å; F18-F68 HydrophobicContact CE1-CE1 4.4Å; F18-F68 HydrophobicContact CE2-CD1 4.22Å; F18-F68 AromaticContact CE2-CE1 3.93Å; F18-F68 HydrophobicContact CE2-CE1 3.93Å; F18-F68 HydrophobicContact CG-CD1 4.23Å; F18-F68 HydrophobicContact CZ-CD1 4.47Å; F18-F68 HydrophobicContact CZ-CE1 4.02Å; F18-Y270 HydrophobicContact CD1-CD1 4.28Å; F18-Y270 HydrophobicContact CD1-CE1 4.26Å; F18-Y270 HydrophobicContact CE1-CE1 4.32Å |
| 19 | C | 90.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 138.2 | -177.4 | -162.1 | 0 | 0 | 0 | 0 | 111 | M34 C35 F70 | C19-M34 VanDerWaalsContact O-CA 3.31Å; C19-M34 WeakPolarHBondContact O-CA 3.16Å; C19-C35 VanDerWaalsContact CB-SG 3.55Å; C19-C35 PolarHBondContact O-N 2.72Å; C19-F70 HydrophobicContact CB-CD1 4.23Å; C19-F70 HydrophobicContact CB-CE1 4.33Å |
| 20 | A | 93.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L32 G33 M34 S315 S317 V325 C327 | A20-L32 HydrophobicContact CB-CD1 4.34Å; A20-G33 CarbonylContact C-O 3.58Å; A20-G33 WeakPolarHBondContact CA-O 3.25Å; A20-M34 HydrophobicContact CB-CG 3.85Å; A20-M34 HydrophobicContact CB-SD 4.06Å; A20-S315 PolarHBondContact N-OG 2.89Å; A20-S315 PolarHBondContact O-OG 2.85Å; A20-S317 WeakPolarHBondContact O-CB 3.31Å; A20-V325 HydrophobicContact CB-CG1 4.27Å; A20-C327 HydrophobicContact CB-CB 3.94Å |
| 21 | R | 94.4 | Very high | 84 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 126.9 | 180 | -55.1 | -174.8 | -173.7 | -96 | 10 | 112.3 | G33 D69 F70 W72 | R21-G33 PolarHBondContact N-O 3.3Å; R21-G33 PolarHBondContact O-N 2.76Å; R21-D69 IonicContact CZ-OD1 3.87Å; R21-D69 IonicContact NE-OD1 3.39Å; R21-D69 PolarHBondContact NE-OD1 2.94Å; R21-D69 IonicContact NH2-OD1 3.58Å; R21-D69 PolarHBondContact NH2-OD1 3.39Å; R21-D69 IonicContact NH2-OD2 3.74Å; R21-D69 PolarHBondContact NH2-OD2 2.81Å; R21-F70 HydrophobicContact CB-CE1 4.17Å; R21-F70 HydrophobicContact CB-CE2 4.19Å; R21-F70 HydrophobicContact CB-CZ 3.6Å; R21-F70 WeakPolarHBondContact CD-O 3.2Å; R21-F70 HydrophobicContact CG-CE1 4.06Å; R21-F70 HydrophobicContact CG-CZ 3.99Å; R21-F70 PolarHBondContact NE-O 3.41Å; R21-W72 PolarHBondContact O-NE1 2.65Å |
| 22 | F | 94.2 | Very high | 85.6 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 147.4 | 165.3 | -77.2 | -74.2 | 0 | 0 | 0 | 111.5 | L31 L32 T46 W72 S317 N319 V325 | F22-L31 WeakPolarHBondContact CA-O 3.23Å; F22-L32 HydrophobicContact CD1-CB 4.03Å; F22-L32 HydrophobicContact CD1-CD1 4.44Å; F22-L32 HydrophobicContact CE1-CB 3.92Å; F22-L32 HydrophobicContact CG-CD1 4.42Å; F22-T46 HydrophobicContact CE1-CG2 4.04Å; F22-W72 VanDerWaalsContact O-CD1 3.27Å; F22-S317 WeakPolarHBondContact CD2-O 3.43Å; F22-S317 WeakPolarHBondContact CE2-O 3.38Å; F22-S317 PolarHBondContact N-OG 3.49Å; F22-N319 HydrophobicContact CB-CB 3.99Å; F22-N319 HydrophobicContact CD1-CB 3.89Å; F22-N319 HydrophobicContact CD2-CB 3.82Å; F22-N319 HydrophobicContact CE1-CB 4.3Å; F22-N319 HydrophobicContact CE2-CB 4.21Å; F22-N319 HydrophobicContact CG-CB 3.64Å; F22-N319 HydrophobicContact CZ-CB 4.45Å; F22-V325 HydrophobicContact CD2-CG1 4.12Å; F22-V325 HydrophobicContact CE2-CB 3.82Å; F22-V325 HydrophobicContact CE2-CG1 3.73Å; F22-V325 HydrophobicContact CZ-CB 4.23Å; F22-V325 HydrophobicContact CZ-CG1 4.47Å |
| 23 | N | 93.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | trans | -67.7 | 126.9 | 170.8 | -173.7 | -43.1 | 0 | 0 | 0 | 109.6 | N25 N28 L31 W72 | N23-N25 VanDerWaalsContact C-N 3.26Å; N23-N25 PolarHBondContact O-N 3.23Å; N23-N25 VanDerWaalsContact OD1-CB 3.29Å; N23-N25 WeakPolarHBondContact OD1-CB 3.48Å; N23-N25 PolarHBondContact OD1-N 2.87Å; N23-N28 HydrophobicContact CB-CB 4.44Å; N23-L31 HydrophobicContact CB-CB 4.18Å; N23-L31 PolarHBondContact N-O 2.99Å; N23-W72 HydrophobicContact CB-CD2 4.01Å; N23-W72 HydrophobicContact CB-CE3 4.42Å; N23-W72 HydrophobicContact CB-CG 4.32Å; N23-W72 HydrophobicContact CB-CZ2 4.32Å | ||
| 24 | P | 89.4 | Confident | 88.6 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 40% | 0.403 | 19% | 0.189 | S | C | . | . | trans | -73 | -15 | -176.8 | 30.3 | -36.1 | 0 | 0 | 0 | 113.8 | W72 | P24-W72 HydrophobicContact CG-CB 4.19Š| ||
| 25 | N | 87.9 | Confident | 89.6 | Confident | 24 Ų | 24 | 33.3 Ų | 33.3 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -78.5 | 133.5 | -171.4 | -61.8 | -9.4 | 0 | 0 | 0 | 111.6 | N23 Q27 N28 W29 D77 | N23-N25 VanDerWaalsContact C-N 3.26Å; N23-N25 PolarHBondContact O-N 3.23Å; N23-N25 VanDerWaalsContact OD1-CB 3.29Å; N23-N25 WeakPolarHBondContact OD1-CB 3.48Å; N23-N25 PolarHBondContact OD1-N 2.87Å; N25-Q27 PolarHBondContact O-N 3.48Å; N25-N28 CarbonylContact O-C 3.54Å; N25-N28 PolarHBondContact O-N 2.92Å; N25-W29 PolarHBondContact O-N 3.24Å; N25-D77 VanDerWaalsContact CB-OD1 3.28Å; N25-D77 WeakPolarHBondContact CB-OD1 3.16Å; N25-D77 PolarHBondContact ND2-OD1 3.37Å |
| 26 | Y | 85.4 | Confident | 90.2 | Very high | 181 Ų | 181 | 32.5 Ų | 32.5 | 71% | 0.71 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.6 | -177.1 | -72.4 | -85.4 | 0 | 0 | 0 | 114.9 | I320 | Y26-I320 HydrophobicContact CD1-CD1 3.29Å; Y26-I320 HydrophobicContact CE1-CD1 3.73Å; Y26-I320 HydrophobicContact CG-CD1 4.01Å |
| 27 | Q | 86.9 | Confident | 90.6 | Very high | 151 Ų | 151 | 35.2 Ų | 35.2 | 71% | 0.706 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -26.3 | 177.5 | -61.7 | -169 | 8.9 | 0 | 0 | 112.7 | N25 Y30 | N25-Q27 PolarHBondContact O-N 3.48Å; Q27-Y30 VanDerWaalsContact O-CE1 3.25Å; Q27-Y30 WeakPolarHBondContact O-CE1 3.39Å |
| 28 | N | 90 | Very high | 90.8 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122 | 15.1 | -169.1 | -77 | -52 | 0 | 0 | 0 | 113.9 | N23 N25 Y30 L31 D77 | N23-N28 HydrophobicContact CB-CB 4.44Å; N25-N28 CarbonylContact O-C 3.54Å; N25-N28 PolarHBondContact O-N 2.92Å; N28-Y30 PolarHBondContact O-N 3.37Å; N28-Y30 PolarHBondContact OD1-OH 3.15Å; N28-L31 HydrophobicContact CB-CD1 4.05Å; N28-L31 HydrophobicContact CB-CG 4.47Å; N28-L31 WeakPolarHBondContact O-CB 3.35Å; N28-L31 PolarHBondContact O-N 3.47Å; N28-D77 VanDerWaalsContact ND2-CG 3.26Å; N28-D77 PolarHBondContact ND2-OD1 2.89Å |
| 29 | W | 88.6 | Confident | 91.1 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 21% | 0.205 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -23 | -177.5 | 67.2 | -92.3 | 0 | 0 | 0 | 117.2 | N25 I320 Y321 | N25-W29 PolarHBondContact O-N 3.24Å; W29-I320 HydrophobicContact CB-CD1 3.77Å; W29-I320 HydrophobicContact CB-CG1 3.64Å; W29-I320 HydrophobicContact CG-CD1 4.41Å; W29-I320 HydrophobicContact CG-CG1 4.44Å; W29-Y321 HydrophobicContact CB-CD2 4.47Å; W29-Y321 HydrophobicContact CB-CE2 4.3Å; W29-Y321 AromaticContact CD1-CE2 3.75Å; W29-Y321 AromaticContact CD2-CD2 3.57Å; W29-Y321 HydrophobicContact CD2-CD2 3.57Å; W29-Y321 AromaticContact CD2-CE2 3.57Å; W29-Y321 HydrophobicContact CD2-CE2 3.57Å; W29-Y321 AromaticContact CE2-CD2 3.94Å; W29-Y321 AromaticContact CE2-CE2 3.65Å; W29-Y321 AromaticContact CE3-CD2 3.66Å; W29-Y321 HydrophobicContact CE3-CD2 3.66Å; W29-Y321 HydrophobicContact CE3-CE2 4.16Å; W29-Y321 AromaticContact CG-CD2 3.96Å; W29-Y321 HydrophobicContact CG-CD2 3.96Å; W29-Y321 AromaticContact CG-CE2 3.63Å; W29-Y321 HydrophobicContact CG-CE2 3.63Å; W29-Y321 HydrophobicContact CH2-CD2 4.43Å; W29-Y321 HydrophobicContact CZ2-CD2 4.35Å; W29-Y321 HydrophobicContact CZ2-CE2 4.28Å; W29-Y321 HydrophobicContact CZ3-CD2 4.11Å; W29-Y321 AromaticContact NE1-CE2 3.73Å |
| 30 | Y | 89.4 | Confident | 91.2 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 11% | 0.114 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.2 | -178.2 | 60.8 | -91.5 | 0 | 0 | 0 | 112.8 | Q27 N28 N45 T46 K47 | Q27-Y30 VanDerWaalsContact O-CE1 3.25Å; Q27-Y30 WeakPolarHBondContact O-CE1 3.39Å; N28-Y30 PolarHBondContact O-N 3.37Å; N28-Y30 PolarHBondContact OD1-OH 3.15Å; Y30-N45 HydrophobicContact CD2-CB 4.35Å; Y30-N45 VanDerWaalsContact CD2-OD1 3.32Å; Y30-N45 WeakPolarHBondContact CD2-OD1 3.44Å; Y30-T46 PolarHBondContact O-N 3.5Å; Y30-T46 PolarHBondContact O-OG1 3.49Å; Y30-T46 VanDerWaalsContact O-OG1 3.04Å; Y30-K47 HydrophobicContact CD1-CD 4.26Å; Y30-K47 HydrophobicContact CD1-CG 3.89Å; Y30-K47 HydrophobicContact CD2-CD 4.11Å; Y30-K47 HydrophobicContact CD2-CG 3.65Å; Y30-K47 HydrophobicContact CE1-CD 4.35Å; Y30-K47 HydrophobicContact CE1-CG 4.47Å; Y30-K47 HydrophobicContact CE2-CD 4.22Å; Y30-K47 HydrophobicContact CE2-CG 4.28Å; Y30-K47 HydrophobicContact CG-CD 4.13Å; Y30-K47 HydrophobicContact CG-CG 3.43Å; Y30-K47 VanDerWaalsContact CG-CG 3.43Å; Y30-K47 PolarHBondContact OH-NZ 3.45Å; Y30-K47 VanDerWaalsContact OH-NZ 3.07Å |
| 31 | L | 93.5 | Very high | 91.3 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121 | 174.4 | -64.9 | -178.5 | 0 | 0 | 0 | 108.9 | F22 N23 N28 V43 Y44 N45 L78 | F22-L31 WeakPolarHBondContact CA-O 3.23Å; N23-L31 HydrophobicContact CB-CB 4.18Å; N23-L31 PolarHBondContact N-O 2.99Å; N28-L31 HydrophobicContact CB-CD1 4.05Å; N28-L31 HydrophobicContact CB-CG 4.47Å; N28-L31 WeakPolarHBondContact O-CB 3.35Å; N28-L31 PolarHBondContact O-N 3.47Å; L31-V43 HydrophobicContact CB-CG1 4.27Å; L31-V43 HydrophobicContact CD2-CG1 4.24Å; L31-Y44 WeakPolarHBondContact CA-O 3.21Å; L31-N45 HydrophobicContact CD2-CB 4.37Å; L31-L78 HydrophobicContact CD1-CD2 3.35Å |
| 32 | L | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.8 | 174.7 | 169.5 | 62.1 | 0 | 0 | 0 | 108.3 | A20 F22 M34 V43 Y44 T46 V325 W333 | A20-L32 HydrophobicContact CB-CD1 4.34Å; F22-L32 HydrophobicContact CD1-CB 4.03Å; F22-L32 HydrophobicContact CD1-CD1 4.44Å; F22-L32 HydrophobicContact CE1-CB 3.92Å; F22-L32 HydrophobicContact CG-CD1 4.42Å; L32-M34 HydrophobicContact CD1-CG 4.25Å; L32-M34 HydrophobicContact CD2-CG 4.2Å; L32-M34 HydrophobicContact CD2-SD 4.08Å; L32-M34 HydrophobicContact CG-CG 3.94Å; L32-M34 HydrophobicContact CG-SD 4.48Å; L32-V43 CarbonylContact O-C 3.14Å; L32-V43 VanDerWaalsContact O-CA 3.31Å; L32-V43 WeakPolarHBondContact O-CA 2.98Å; L32-Y44 PolarHBondContact N-O 3.44Å; L32-Y44 PolarHBondContact O-N 3.36Å; L32-T46 HydrophobicContact CB-CG2 4.1Å; L32-V325 HydrophobicContact CD1-CB 4.48Å; L32-V325 HydrophobicContact CD1-CG1 3.79Å; L32-V325 HydrophobicContact CD2-CB 4.26Å; L32-V325 HydrophobicContact CD2-CG1 4.43Å; L32-V325 HydrophobicContact CD2-CG2 3.83Å; L32-W333 HydrophobicContact CD2-CE3 3.77Å; L32-W333 HydrophobicContact CD2-CH2 3.82Å; L32-W333 HydrophobicContact CD2-CZ3 3.28Å |
| 33 | G | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 140.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A20 R21 N42 F70 | A20-G33 CarbonylContact C-O 3.58Å; A20-G33 WeakPolarHBondContact CA-O 3.25Å; R21-G33 PolarHBondContact N-O 3.3Å; R21-G33 PolarHBondContact O-N 2.76Å; G33-N42 CarbonylContact C-O 3.55Å; G33-N42 WeakPolarHBondContact CA-O 3.21Å; G33-F70 VanDerWaalsContact C-CZ 3.49Å; G33-F70 VanDerWaalsContact O-CZ 3.27Å; G33-F70 WeakPolarHBondContact O-CZ 3.13Å |
| 34 | M | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.2 | 171.4 | -54.8 | -160.2 | -59.8 | 0 | 0 | 109.9 | L17 C19 A20 L32 N42 Y44 W333 | L17-M34 HydrophobicContact CD1-CE 3.9Å; L17-M34 HydrophobicContact CD1-SD 4.23Å; L17-M34 HydrophobicContact CD2-CB 4.49Å; C19-M34 VanDerWaalsContact O-CA 3.31Å; C19-M34 WeakPolarHBondContact O-CA 3.16Å; A20-M34 HydrophobicContact CB-CG 3.85Å; A20-M34 HydrophobicContact CB-SD 4.06Å; L32-M34 HydrophobicContact CD1-CG 4.25Å; L32-M34 HydrophobicContact CD2-CG 4.2Å; L32-M34 HydrophobicContact CD2-SD 4.08Å; L32-M34 HydrophobicContact CG-CG 3.94Å; L32-M34 HydrophobicContact CG-SD 4.48Å; M34-N42 PolarHBondContact N-O 3.22Å; M34-N42 PolarHBondContact O-N 3.47Å; M34-Y44 HydrophobicContact CE-CD2 3.84Å; M34-Y44 HydrophobicContact CE-CE2 3.35Å; M34-W333 HydrophobicContact CE-CB 4.46Å; M34-W333 VanDerWaalsContact CE-CD1 3.49Å; M34-W333 HydrophobicContact CE-CD2 3.67Å; M34-W333 VanDerWaalsContact CE-CE2 3.44Å; M34-W333 HydrophobicContact CE-CE3 4.47Å; M34-W333 HydrophobicContact CE-CG 3.65Å; M34-W333 HydrophobicContact CE-CZ2 4.02Å; M34-W333 HydrophobicContact SD-CB 4.16Å; M34-W333 HydrophobicContact SD-CD2 3.9Å; M34-W333 HydrophobicContact SD-CE3 4.27Å; M34-W333 HydrophobicContact SD-CG 3.87Å |
| 35 | C | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145.5 | -178 | 69 | 0 | 0 | 0 | 0 | 112.6 | L17 F18 C19 H40 L41 I67 F70 | L17-C35 WeakPolarHBondContact CA-O 3.01Å; F18-C35 PolarHBondContact N-O 3.38Å; C19-C35 VanDerWaalsContact CB-SG 3.55Å; C19-C35 PolarHBondContact O-N 2.72Å; C35-H40 WeakPolarHBondContact CA-O 3.27Å; C35-L41 HydrophobicContact CB-CD1 4.3Å; C35-I67 HydrophobicContact CB-CB 3.8Å; C35-I67 HydrophobicContact CB-CD1 4.49Å; C35-I67 HydrophobicContact CB-CG2 3.51Å; C35-I67 PolarHBondContact SG-O 3.29Å; C35-F70 HydrophobicContact CB-CD1 4.25Å |
| 36 | N | 90.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -177.1 | -174.2 | 75.6 | -15.4 | 0 | 0 | 0 | 113.1 | D15 P16 L17 I38 G39 H40 I67 | D15-N36 HydrophobicContact CB-CB 4.27Å; D15-N36 PolarHBondContact OD2-ND2 2.98Å; P16-N36 WeakPolarHBondContact O-CA 3.26Å; L17-N36 HydrophobicContact CD2-CB 4.14Å; N36-I38 PolarHBondContact OD1-N 3.44Å; N36-G39 PolarHBondContact OD1-N 2.95Å; N36-G39 VanDerWaalsContact OD1-N 3.11Å; N36-H40 PolarHBondContact N-O 3.39Å; N36-H40 WeakPolarHBondContact OD1-CA 3.45Å; N36-H40 WeakPolarHBondContact OD1-CB 3.36Å; N36-H40 PolarHBondContact OD1-N 2.9Å; N36-H40 PolarHBondContact OD1-O 3.21Å; N36-I67 PolarHBondContact O-N 3.16Å; N36-I67 VanDerWaalsContact O-N 3.15Å |
| 37 | E | 89.9 | Confident | 91.2 | Very high | 87 Ų | 87 | 29 Ų | 29 | 41% | 0.407 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -78.6 | -19.2 | 179.1 | 69.6 | 174.9 | -168 | 0 | 0 | 116.4 | P16 F18 G39 N65 A66 | P16-E37 VanDerWaalsContact CD-CD 3.44Å; P16-E37 WeakPolarHBondContact CD-OE1 3.36Å; P16-E37 HydrophobicContact CG-CB 4.35Å; P16-E37 VanDerWaalsContact CG-CD 3.44Å; P16-E37 HydrophobicContact CG-CG 3.95Å; P16-E37 VanDerWaalsContact CG-OE2 3.24Å; P16-E37 WeakPolarHBondContact CG-OE2 3.42Å; F18-E37 HydrophobicContact CE2-CB 3.57Å; F18-E37 HydrophobicContact CZ-CB 4.05Å; E37-G39 VanDerWaalsContact C-N 3.34Å; E37-N65 CarbonylContact O-C 3.54Å; E37-A66 HydrophobicContact CB-CB 4.2Å; E37-A66 WeakPolarHBondContact O-CA 3.14Å; E37-A66 WeakPolarHBondContact O-CB 3.41Å; E37-A66 PolarHBondContact O-N 3.44Å |
| 38 | I | 90.2 | Very high | 90.9 | Very high | 68 Ų | 68 | 30.2 Ų | 30.2 | 35% | 0.349 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -80.6 | -17.8 | 177.1 | -60.6 | -172.6 | 0 | 0 | 0 | 111.9 | D15 N36 | D15-I38 WeakPolarHBondContact OD2-CD1 3.28Å; D15-I38 VanDerWaalsContact OD2-CG1 3.28Å; D15-I38 WeakPolarHBondContact OD2-CG1 3.39Å; N36-I38 PolarHBondContact OD1-N 3.44Å |
| 39 | G | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 102.2 | 22.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | N36 E37 F62 H63 N65 I67 | N36-G39 PolarHBondContact OD1-N 2.95Å; N36-G39 VanDerWaalsContact OD1-N 3.11Å; E37-G39 VanDerWaalsContact C-N 3.34Å; G39-F62 PolarHBondContact O-N 2.83Å; G39-F62 VanDerWaalsContact O-N 3.08Å; G39-H63 WeakPolarHBondContact CA-O 3.2Å; G39-H63 PolarHBondContact O-N 2.02Å; G39-N65 WeakPolarHBondContact CA-O 3.31Å; G39-I67 VanDerWaalsContact C-CD1 3.45Å; G39-I67 WeakPolarHBondContact O-CD1 3.3Å |
| 40 | H | 93.4 | Very high | 89.4 | Confident | 30 Ų | 30 | 33.6 Ų | 33.6 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 145 | 172 | -73.3 | -132.2 | 0 | 0 | 0 | 111.7 | C35 N36 S59 I60 C61 | C35-H40 WeakPolarHBondContact CA-O 3.27Å; N36-H40 PolarHBondContact N-O 3.39Å; N36-H40 WeakPolarHBondContact OD1-CA 3.45Å; N36-H40 WeakPolarHBondContact OD1-CB 3.36Å; N36-H40 PolarHBondContact OD1-N 2.9Å; N36-H40 PolarHBondContact OD1-O 3.21Å; H40-S59 PolarHBondContact ND1-OG 2.76Å; H40-I60 WeakPolarHBondContact CA-O 3.26Å; H40-C61 WeakPolarHBondContact NE2-CB 3.48Å |
| 41 | L | 94.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110 | 160.5 | -177.1 | 68.4 | 0 | 0 | 0 | 108.4 | C35 V43 I60 F62 F70 V80 I82 V94 | C35-L41 HydrophobicContact CB-CD1 4.3Å; L41-V43 HydrophobicContact CD2-CG2 4.4Å; L41-V43 HydrophobicContact CG-CG2 4.14Å; L41-I60 PolarHBondContact N-O 3.49Å; L41-I60 PolarHBondContact O-N 2.9Å; L41-F62 HydrophobicContact CB-CD2 3.88Å; L41-F62 HydrophobicContact CB-CE2 4.01Å; L41-F62 HydrophobicContact CD2-CE2 4.09Å; L41-F70 HydrophobicContact CD1-CD1 4.14Å; L41-F70 HydrophobicContact CD1-CD2 3.97Å; L41-F70 HydrophobicContact CD1-CE1 4.21Å; L41-F70 HydrophobicContact CD1-CE2 4.04Å; L41-F70 HydrophobicContact CD1-CG 4.03Å; L41-F70 HydrophobicContact CD1-CZ 4.17Å; L41-V80 HydrophobicContact CD2-CB 4.49Å; L41-V80 HydrophobicContact CD2-CG1 4.24Å; L41-V80 HydrophobicContact CD2-CG2 3.97Å; L41-I82 HydrophobicContact CD2-CD1 4.17Å; L41-V94 HydrophobicContact CD2-CG2 4.18Å |
| 42 | N | 92.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.1 | 176.5 | -66.3 | -9.8 | 0 | 0 | 0 | 108.8 | N9 G33 M34 Y44 L56 S59 | N9-N42 PolarHBondContact OD1-ND2 3.5Å; G33-N42 CarbonylContact C-O 3.55Å; G33-N42 WeakPolarHBondContact CA-O 3.21Å; M34-N42 PolarHBondContact N-O 3.22Å; M34-N42 PolarHBondContact O-N 3.47Å; N42-Y44 HydrophobicContact CB-CD2 4.45Å; N42-Y44 HydrophobicContact CB-CE2 3.56Å; N42-L56 HydrophobicContact CB-CD1 4.07Å; N42-S59 WeakPolarHBondContact OD1-CB 3.3Å; N42-S59 PolarHBondContact OD1-OG 3.47Å |
| 43 | V | 93.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 114 | -177 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | L31 L32 L41 S57 T58 W72 V94 | L31-V43 HydrophobicContact CB-CG1 4.27Å; L31-V43 HydrophobicContact CD2-CG1 4.24Å; L32-V43 CarbonylContact O-C 3.14Å; L32-V43 VanDerWaalsContact O-CA 3.31Å; L32-V43 WeakPolarHBondContact O-CA 2.98Å; L41-V43 HydrophobicContact CD2-CG2 4.4Å; L41-V43 HydrophobicContact CG-CG2 4.14Å; V43-S57 WeakPolarHBondContact O-CA 3.38Å; V43-S57 VanDerWaalsContact O-CB 3.31Å; V43-S57 WeakPolarHBondContact O-CB 2.67Å; V43-S57 PolarHBondContact O-N 3.23Å; V43-T58 HydrophobicContact CB-CG2 3.9Å; V43-T58 HydrophobicContact CG2-CG2 4.19Å; V43-T58 PolarHBondContact N-O 2.92Å; V43-T58 PolarHBondContact O-N 3.32Å; V43-W72 HydrophobicContact CG1-CH2 4.18Å; V43-W72 HydrophobicContact CG2-CH2 4.22Å; V43-V94 HydrophobicContact CB-CG1 4.42Å; V43-V94 HydrophobicContact CG2-CG1 3.83Å |
| 44 | Y | 92 | Very high | 86 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.8 | -176.3 | -62 | -91.1 | 0 | 0 | 0 | 111.5 | N9 L31 L32 M34 N42 I54 K55 L56 W333 | N9-Y44 PolarHBondContact OD1-OH 3.01Å; L31-Y44 WeakPolarHBondContact CA-O 3.21Å; L32-Y44 PolarHBondContact N-O 3.44Å; L32-Y44 PolarHBondContact O-N 3.36Å; M34-Y44 HydrophobicContact CE-CD2 3.84Å; M34-Y44 HydrophobicContact CE-CE2 3.35Å; N42-Y44 HydrophobicContact CB-CD2 4.45Å; N42-Y44 HydrophobicContact CB-CE2 3.56Å; Y44-I54 HydrophobicContact CD1-CG2 3.84Å; Y44-I54 HydrophobicContact CG-CG2 4.31Å; Y44-K55 WeakPolarHBondContact CA-O 3.42Å; Y44-L56 HydrophobicContact CD1-CB 4.08Å; Y44-L56 HydrophobicContact CD1-CD1 4.08Å; Y44-L56 HydrophobicContact CE1-CB 3.91Å; Y44-L56 HydrophobicContact CE1-CD1 3.67Å; Y44-L56 HydrophobicContact CE1-CG 4.38Å; Y44-L56 HydrophobicContact CE2-CD1 4.12Å; Y44-L56 HydrophobicContact CG-CD1 4.48Å; Y44-W333 HydrophobicContact CD1-CH2 4.23Å; Y44-W333 AromaticContact CD1-CZ2 3.73Å; Y44-W333 HydrophobicContact CD1-CZ2 3.73Å; Y44-W333 HydrophobicContact CD2-CH2 4.32Å; Y44-W333 AromaticContact CD2-CZ2 4Å; Y44-W333 HydrophobicContact CD2-CZ2 4Å; Y44-W333 AromaticContact CE1-CZ2 3.99Å; Y44-W333 HydrophobicContact CE1-CZ2 3.99Å; Y44-W333 HydrophobicContact CE2-CZ2 4.25Å; Y44-W333 AromaticContact CG-CH2 3.91Å; Y44-W333 HydrophobicContact CG-CH2 3.91Å; Y44-W333 AromaticContact CG-CZ2 3.73Å; Y44-W333 HydrophobicContact CG-CZ2 3.73Å |
| 45 | N | 90.9 | Very high | 85.6 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116 | 172.6 | 178.9 | -19.1 | 0 | 0 | 0 | 109.6 | Y30 L31 K47 K55 S57 | Y30-N45 HydrophobicContact CD2-CB 4.35Å; Y30-N45 VanDerWaalsContact CD2-OD1 3.32Å; Y30-N45 WeakPolarHBondContact CD2-OD1 3.44Å; L31-N45 HydrophobicContact CD2-CB 4.37Å; N45-K47 VanDerWaalsContact OD1-CB 3.31Å; N45-K47 WeakPolarHBondContact OD1-CB 3.26Å; N45-K47 WeakPolarHBondContact OD1-CG 3.45Å; N45-K47 PolarHBondContact OD1-N 3.41Å; N45-K55 PolarHBondContact N-O 3.07Å; N45-K55 PolarHBondContact O-N 3.4Å; N45-S57 WeakPolarHBondContact CB-OG 3.14Å |
| 46 | T | 88.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 10 | -176.3 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | F22 Y30 L32 R48 A49 I335 | F22-T46 HydrophobicContact CE1-CG2 4.04Å; Y30-T46 PolarHBondContact O-N 3.5Å; Y30-T46 PolarHBondContact O-OG1 3.49Å; Y30-T46 VanDerWaalsContact O-OG1 3.04Å; L32-T46 HydrophobicContact CB-CG2 4.1Å; T46-R48 PolarHBondContact O-N 3.29Å; T46-A49 VanDerWaalsContact O-CB 3.24Å; T46-A49 WeakPolarHBondContact O-CB 3.46Å; T46-A49 PolarHBondContact O-N 2.98Å; T46-I335 HydrophobicContact CG2-CD1 3.52Å |
| 47 | K | 85 | Confident | 85.2 | Confident | 110 Ų | 110 | 57.8 Ų | 57.8 | 48% | 0.478 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | -31.8 | -178.8 | -80.6 | -178 | 178.3 | 160.3 | 0 | 113.8 | Y30 N45 | Y30-K47 HydrophobicContact CD1-CD 4.26Å; Y30-K47 HydrophobicContact CD1-CG 3.89Å; Y30-K47 HydrophobicContact CD2-CD 4.11Å; Y30-K47 HydrophobicContact CD2-CG 3.65Å; Y30-K47 HydrophobicContact CE1-CD 4.35Å; Y30-K47 HydrophobicContact CE1-CG 4.47Å; Y30-K47 HydrophobicContact CE2-CD 4.22Å; Y30-K47 HydrophobicContact CE2-CG 4.28Å; Y30-K47 HydrophobicContact CG-CD 4.13Å; Y30-K47 HydrophobicContact CG-CG 3.43Å; Y30-K47 VanDerWaalsContact CG-CG 3.43Å; Y30-K47 PolarHBondContact OH-NZ 3.45Å; Y30-K47 VanDerWaalsContact OH-NZ 3.07Å; N45-K47 VanDerWaalsContact OD1-CB 3.31Å; N45-K47 WeakPolarHBondContact OD1-CB 3.26Å; N45-K47 WeakPolarHBondContact OD1-CG 3.45Å; N45-K47 PolarHBondContact OD1-N 3.41Å |
| 48 | R | 81.1 | Confident | 85.2 | Confident | 176 Ų | 176 | 55.6 Ų | 55.6 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 22 | -176.7 | -63.3 | -175.1 | 178.3 | -177.3 | 0.4 | 112.6 | T46 E50 V51 N52 V53 | T46-R48 PolarHBondContact O-N 3.29Å; R48-E50 PolarHBondContact O-N 3.21Å; R48-E50 VanDerWaalsContact O-N 3.16Å; R48-V51 CarbonylContact O-C 3.58Å; R48-V51 PolarHBondContact O-N 2.93Å; R48-N52 PolarHBondContact O-N 2.78Å; R48-V53 CarbonylContact C-O 3.37Å; R48-V53 HydrophobicContact CB-CB 3.85Å; R48-V53 HydrophobicContact CB-CG1 4.34Å; R48-V53 PolarHBondContact O-N 3.08Å; R48-V53 VanDerWaalsContact O-N 3.12Å |
| 49 | A | 76.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -56.7 | -29.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L4 T46 V51 N52 V53 I54 I335 | L4-A49 HydrophobicContact CD1-CB 4.37Å; T46-A49 VanDerWaalsContact O-CB 3.24Å; T46-A49 WeakPolarHBondContact O-CB 3.46Å; T46-A49 PolarHBondContact O-N 2.98Å; A49-V51 PolarHBondContact O-N 3.05Å; A49-N52 PolarHBondContact O-N 3.29Å; A49-N52 PolarHBondContact O-OD1 3.36Å; A49-V53 PolarHBondContact N-O 2.82Å; A49-I54 HydrophobicContact CB-CG1 4.49Å; A49-I335 HydrophobicContact CB-CD1 3.68Å; A49-I335 HydrophobicContact CB-CG2 4.28Å |
| 50 | E | 69.4 | Low | 85.3 | Confident | 143 Ų | 143 | 55.3 Ų | 55.3 | 67% | 0.668 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -63 | -19.8 | 174.1 | -63.8 | 177 | -177.4 | 0 | 0 | 114.1 | L4 R48 | L4-E50 HydrophobicContact CD1-CG 3.88Å; R48-E50 PolarHBondContact O-N 3.21Å; R48-E50 VanDerWaalsContact O-N 3.16Å |
| 51 | V | 71.9 | Confident | 85.3 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 67% | 0.667 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -111.8 | 19.1 | 176 | -156.1 | 0 | 0 | 0 | 0 | 110.2 | R48 A49 V53 | R48-V51 CarbonylContact O-C 3.58Å; R48-V51 PolarHBondContact O-N 2.93Å; A49-V51 PolarHBondContact O-N 3.05Å; V51-V53 PolarHBondContact O-N 2.81Å; V51-V53 VanDerWaalsContact O-N 3.12Å |
| 52 | N | 71.1 | Confident | 85.2 | Confident | 99 Ų | 99 | 58.2 Ų | 58.2 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 24.1 | -176.6 | -62.4 | 3.6 | 0 | 0 | 0 | 114.6 | L4 R48 A49 | L4-N52 VanDerWaalsContact C-OD1 3.32Å; L4-N52 PolarHBondContact O-ND2 3.43Å; L4-N52 PolarHBondContact O-OD1 3.31Å; R48-N52 PolarHBondContact O-N 2.78Å; A49-N52 PolarHBondContact O-N 3.29Å; A49-N52 PolarHBondContact O-OD1 3.36Å |
| 53 | V | 76 | Confident | 85.1 | Confident | 76 Ų | 76 | 58.7 Ų | 58.7 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 97.4 | 171.7 | -179 | 0 | 0 | 0 | 0 | 108.6 | R48 A49 V51 | R48-V53 CarbonylContact C-O 3.37Å; R48-V53 HydrophobicContact CB-CB 3.85Å; R48-V53 HydrophobicContact CB-CG1 4.34Å; R48-V53 PolarHBondContact O-N 3.08Å; R48-V53 VanDerWaalsContact O-N 3.12Å; A49-V53 PolarHBondContact N-O 2.82Å; V51-V53 PolarHBondContact O-N 2.81Å; V51-V53 VanDerWaalsContact O-N 3.12Å |
| 54 | I | 81.2 | Confident | 85 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.9 | 162.9 | -65.4 | 167.4 | 0 | 0 | 0 | 106.3 | S5 A7 Y44 A49 W333 I335 | S5-I54 WeakPolarHBondContact OG-CD1 3.39Å; A7-I54 HydrophobicContact CB-CD1 3.95Å; Y44-I54 HydrophobicContact CD1-CG2 3.84Å; Y44-I54 HydrophobicContact CG-CG2 4.31Å; A49-I54 HydrophobicContact CB-CG1 4.49Å; I54-W333 HydrophobicContact CD1-CH2 3.73Å; I54-W333 HydrophobicContact CD1-CZ2 4.29Å; I54-W333 HydrophobicContact CD1-CZ3 4.03Å; I54-W333 HydrophobicContact CG1-CH2 4.4Å; I54-W333 HydrophobicContact CG2-CH2 3.57Å; I54-W333 HydrophobicContact CG2-CZ2 3.84Å; I54-I335 HydrophobicContact CD1-CD1 3.59Å; I54-I335 HydrophobicContact CD1-CG1 4.21Å; I54-I335 HydrophobicContact CG1-CD1 3.95Å |
| 55 | K | 84 | Confident | 85 | Confident | 143 Ų | 143 | 71.9 Ų | 71.9 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126.3 | 173.9 | 177.1 | 176.3 | 179.1 | -176.1 | 0 | 109.9 | Y44 N45 S57 | Y44-K55 WeakPolarHBondContact CA-O 3.42Å; N45-K55 PolarHBondContact N-O 3.07Å; N45-K55 PolarHBondContact O-N 3.4Å; K55-S57 PolarHBondContact O-N 3.31Å |
| 56 | L | 87.7 | Confident | 85.1 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 19% | 0.194 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 119 | 162.7 | -177.3 | 71.8 | 0 | 0 | 0 | 109.4 | E10 V11 N42 Y44 T58 | E10-L56 VanDerWaalsContact OE2-CB 3.25Å; E10-L56 WeakPolarHBondContact OE2-CB 3.32Å; V11-L56 HydrophobicContact CG2-CD2 3.46Å; V11-L56 VanDerWaalsContact CG2-CD2 3.46Å; N42-L56 HydrophobicContact CB-CD1 4.07Å; Y44-L56 HydrophobicContact CD1-CB 4.08Å; Y44-L56 HydrophobicContact CD1-CD1 4.08Å; Y44-L56 HydrophobicContact CE1-CB 3.91Å; Y44-L56 HydrophobicContact CE1-CD1 3.67Å; Y44-L56 HydrophobicContact CE1-CG 4.38Å; Y44-L56 HydrophobicContact CE2-CD1 4.12Å; Y44-L56 HydrophobicContact CG-CD1 4.48Å; L56-T58 WeakPolarHBondContact CD1-O 3.47Å |
| 57 | S | 86.7 | Confident | 85.5 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 44% | 0.441 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -41.3 | 177.6 | -55.7 | 0 | 0 | 0 | 0 | 111 | V43 N45 K55 | V43-S57 WeakPolarHBondContact O-CA 3.38Å; V43-S57 VanDerWaalsContact O-CB 3.31Å; V43-S57 WeakPolarHBondContact O-CB 2.67Å; V43-S57 PolarHBondContact O-N 3.23Å; N45-S57 WeakPolarHBondContact CB-OG 3.14Å; K55-S57 PolarHBondContact O-N 3.31Å |
| 58 | T | 90.2 | Very high | 85.9 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 151.1 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | V43 L56 I60 V94 | V43-T58 HydrophobicContact CB-CG2 3.9Å; V43-T58 HydrophobicContact CG2-CG2 4.19Å; V43-T58 PolarHBondContact N-O 2.92Å; V43-T58 PolarHBondContact O-N 3.32Å; L56-T58 WeakPolarHBondContact CD1-O 3.47Å; T58-I60 HydrophobicContact CG2-CD1 3.86Å; T58-I60 WeakPolarHBondContact OG1-CD1 3.47Å; T58-I60 WeakPolarHBondContact OG1-CG1 3.42Å; T58-V94 HydrophobicContact CG2-CG1 3.75Å |
| 59 | S | 91.3 | Very high | 86.5 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.1 | 167.1 | 176 | 0 | 0 | 0 | 0 | 106.9 | H40 N42 | H40-S59 PolarHBondContact ND1-OG 2.76Å; N42-S59 WeakPolarHBondContact OD1-CB 3.3Å; N42-S59 PolarHBondContact OD1-OG 3.47Å |
| 60 | I | 92.9 | Very high | 87.5 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 121.9 | -174.4 | -59.2 | 150.1 | 0 | 0 | 0 | 109.2 | H40 L41 T58 F62 | H40-I60 WeakPolarHBondContact CA-O 3.26Å; L41-I60 PolarHBondContact N-O 3.49Å; L41-I60 PolarHBondContact O-N 2.9Å; T58-I60 HydrophobicContact CG2-CD1 3.86Å; T58-I60 WeakPolarHBondContact OG1-CD1 3.47Å; T58-I60 WeakPolarHBondContact OG1-CG1 3.42Å; I60-F62 HydrophobicContact CB-CD2 4.06Å; I60-F62 HydrophobicContact CB-CE1 4.43Å; I60-F62 HydrophobicContact CB-CE2 3.62Å; I60-F62 HydrophobicContact CB-CZ 3.84Å; I60-F62 HydrophobicContact CD1-CE2 4.08Å; I60-F62 HydrophobicContact CD1-CZ 3.83Å; I60-F62 HydrophobicContact CG1-CE2 4.48Å; I60-F62 HydrophobicContact CG1-CZ 4.41Å; I60-F62 HydrophobicContact CG2-CD1 3.84Å; I60-F62 HydrophobicContact CG2-CD2 3.86Å; I60-F62 HydrophobicContact CG2-CE1 3.53Å; I60-F62 HydrophobicContact CG2-CE2 3.6Å; I60-F62 HydrophobicContact CG2-CG 4Å; I60-F62 HydrophobicContact CG2-CZ 3.44Å; I60-F62 VanDerWaalsContact CG2-CZ 3.44Å; I60-F62 PolarHBondContact O-N 2.4Å |
| 61 | C | 93.7 | Very high | 88.7 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 48% | 0.48 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 101.8 | 168.5 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | H40 H63 | H40-C61 WeakPolarHBondContact NE2-CB 3.48Å; C61-H63 PolarHBondContact SG-O 2.49Å |
| 62 | F | 91.8 | Very high | 89.8 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | trans | -94.2 | -24.7 | 177.8 | -74.4 | -67.1 | 0 | 0 | 0 | 112.6 | G39 L41 I60 I82 S92 | G39-F62 PolarHBondContact O-N 2.83Å; G39-F62 VanDerWaalsContact O-N 3.08Å; L41-F62 HydrophobicContact CB-CD2 3.88Å; L41-F62 HydrophobicContact CB-CE2 4.01Å; L41-F62 HydrophobicContact CD2-CE2 4.09Å; I60-F62 HydrophobicContact CB-CD2 4.06Å; I60-F62 HydrophobicContact CB-CE1 4.43Å; I60-F62 HydrophobicContact CB-CE2 3.62Å; I60-F62 HydrophobicContact CB-CZ 3.84Å; I60-F62 HydrophobicContact CD1-CE2 4.08Å; I60-F62 HydrophobicContact CD1-CZ 3.83Å; I60-F62 HydrophobicContact CG1-CE2 4.48Å; I60-F62 HydrophobicContact CG1-CZ 4.41Å; I60-F62 HydrophobicContact CG2-CD1 3.84Å; I60-F62 HydrophobicContact CG2-CD2 3.86Å; I60-F62 HydrophobicContact CG2-CE1 3.53Å; I60-F62 HydrophobicContact CG2-CE2 3.6Å; I60-F62 HydrophobicContact CG2-CG 4Å; I60-F62 HydrophobicContact CG2-CZ 3.44Å; I60-F62 VanDerWaalsContact CG2-CZ 3.44Å; I60-F62 PolarHBondContact O-N 2.4Å; F62-I82 HydrophobicContact CB-CD1 3.75Å; F62-I82 HydrophobicContact CD1-CD1 4.4Å; F62-I82 HydrophobicContact CD2-CD1 3.24Å; F62-I82 HydrophobicContact CE2-CD1 3.85Å; F62-I82 HydrophobicContact CG-CD1 3.55Å; F62-S92 WeakPolarHBondContact CD1-OG 3.3Å | ||
| 63 | H | 92.2 | Very high | 90.9 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | trans | -136.7 | 158.4 | -177.7 | -71.5 | -88.7 | 0 | 0 | 0 | 110.1 | G39 C61 N65 I67 S84 D86 S88 S90 | G39-H63 WeakPolarHBondContact CA-O 3.2Å; G39-H63 PolarHBondContact O-N 2.02Å; C61-H63 PolarHBondContact SG-O 2.49Å; H63-N65 VanDerWaalsContact C-N 3.31Å; H63-I67 HydrophobicContact CB-CG1 4.45Å; H63-S84 WeakPolarHBondContact CB-OG 3.36Å; H63-S84 VanDerWaalsContact CG-CB 3.48Å; H63-S84 VanDerWaalsContact ND1-CB 3.25Å; H63-S84 WeakPolarHBondContact ND1-CB 3.38Å; H63-S84 PolarHBondContact ND1-OG 3.07Å; H63-D86 WeakPolarHBondContact CB-OD2 3.29Å; H63-D86 IonicContact CE1-OD1 3.95Å; H63-D86 IonicContact CE1-OD2 3.43Å; H63-D86 IonicContact CG-OD2 3.36Å; H63-D86 IonicContact ND1-OD1 3.93Å; H63-D86 PolarHBondContact ND1-OD1 3.07Å; H63-D86 IonicContact ND1-OD2 3.94Å; H63-D86 PolarHBondContact ND1-OD2 3.26Å; H63-S88 PolarHBondContact CE1-OG 2.96Å; H63-S88 PolarHBondContact ND1-OG 3.31Å; H63-S90 WeakPolarHBondContact NE2-CB 3.48Å; H63-S90 PolarHBondContact NE2-OG 2.92Å | ||
| 64 | K | 90.1 | Very high | 91.4 | Very high | 206 Ų | 206 | 40.8 Ų | 40.8 | 90% | 0.896 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -95.4 | 17.6 | 179.2 | -60.9 | -176 | 178.8 | -177.9 | 0 | 113 | ||
| 65 | N | 92.9 | Very high | 91.6 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 40% | 0.401 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -159.8 | 166 | -171.2 | -157.2 | -11.4 | 0 | 0 | 0 | 108.9 | E37 G39 H63 I67 A85 D86 | E37-N65 CarbonylContact O-C 3.54Å; G39-N65 WeakPolarHBondContact CA-O 3.31Å; H63-N65 VanDerWaalsContact C-N 3.31Å; N65-I67 PolarHBondContact O-N 2.71Å; N65-A85 HydrophobicContact CB-CB 3.97Å; N65-A85 WeakPolarHBondContact ND2-CB 3.29Å; N65-A85 WeakPolarHBondContact OD1-CB 3.06Å; N65-D86 HydrophobicContact CB-CB 4.08Å |
| 66 | A | 93.2 | Very high | 91.8 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | trans | -53.2 | 131.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F18 E37 F68 S84 A85 | F18-A66 HydrophobicContact CD2-CB 4.38Å; F18-A66 HydrophobicContact CE2-CB 3.7Å; E37-A66 HydrophobicContact CB-CB 4.2Å; E37-A66 WeakPolarHBondContact O-CA 3.14Å; E37-A66 WeakPolarHBondContact O-CB 3.41Å; E37-A66 PolarHBondContact O-N 3.44Å; A66-F68 HydrophobicContact CB-CE1 3.79Å; A66-F68 HydrophobicContact CB-CE2 4.45Å; A66-F68 HydrophobicContact CB-CZ 3.71Å; A66-S84 CarbonylContact O-C 3.58Å; A66-A85 HydrophobicContact CB-CB 3.98Å; A66-A85 VanDerWaalsContact O-CB 3.23Å; A66-A85 WeakPolarHBondContact O-CB 3.29Å; A66-A85 PolarHBondContact O-N 3.34Å | ||
| 67 | I | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 113.2 | 171.5 | -67.2 | 163.9 | 0 | 0 | 0 | 108.1 | F18 C35 N36 G39 H63 N65 I82 | F18-I67 WeakPolarHBondContact CB-O 3.31Å; F18-I67 WeakPolarHBondContact CD2-O 3.08Å; C35-I67 HydrophobicContact CB-CB 3.8Å; C35-I67 HydrophobicContact CB-CD1 4.49Å; C35-I67 HydrophobicContact CB-CG2 3.51Å; C35-I67 PolarHBondContact SG-O 3.29Å; N36-I67 PolarHBondContact O-N 3.16Å; N36-I67 VanDerWaalsContact O-N 3.15Å; G39-I67 VanDerWaalsContact C-CD1 3.45Å; G39-I67 WeakPolarHBondContact O-CD1 3.3Å; H63-I67 HydrophobicContact CB-CG1 4.45Å; N65-I67 PolarHBondContact O-N 2.71Å; I67-I82 HydrophobicContact CB-CG2 4.17Å; I67-I82 HydrophobicContact CD1-CG2 3.51Å; I67-I82 HydrophobicContact CG1-CG2 3.54Å; I67-I82 HydrophobicContact CG2-CG2 3.5Å; I67-I82 VanDerWaalsContact CG2-CG2 3.5Å |
| 68 | F | 94 | Very high | 92 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 6% | 0.057 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -31.2 | -178.2 | -64.8 | -53.8 | 0 | 0 | 0 | 113.4 | F18 A66 A83 A85 V110 R111 Y270 Y272 | F18-F68 HydrophobicContact CD1-CD1 4.43Å; F18-F68 HydrophobicContact CD2-CD1 4.11Å; F18-F68 HydrophobicContact CD2-CE1 4.29Å; F18-F68 HydrophobicContact CE1-CE1 4.4Å; F18-F68 HydrophobicContact CE2-CD1 4.22Å; F18-F68 AromaticContact CE2-CE1 3.93Å; F18-F68 HydrophobicContact CE2-CE1 3.93Å; F18-F68 HydrophobicContact CG-CD1 4.23Å; F18-F68 HydrophobicContact CZ-CD1 4.47Å; F18-F68 HydrophobicContact CZ-CE1 4.02Å; A66-F68 HydrophobicContact CB-CE1 3.79Å; A66-F68 HydrophobicContact CB-CE2 4.45Å; A66-F68 HydrophobicContact CB-CZ 3.71Å; F68-A83 PolarHBondContact N-O 3.31Å; F68-A85 HydrophobicContact CD2-CB 4.29Å; F68-A85 HydrophobicContact CE2-CB 3.4Å; F68-A85 HydrophobicContact CZ-CB 3.8Å; F68-V110 WeakPolarHBondContact CD2-O 3.26Å; F68-R111 VanDerWaalsContact CE1-NH2 3.27Å; F68-R111 VanDerWaalsContact CE2-CZ 3.47Å; F68-Y270 HydrophobicContact CD1-CE1 4.4Å; F68-Y272 PolarHBondContact O-OH 2.86Å |
| 69 | D | 94.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 153 | 178.6 | -166.9 | 12 | 0 | 0 | 0 | 110 | R21 A83 I113 | R21-D69 IonicContact CZ-OD1 3.87Å; R21-D69 IonicContact NE-OD1 3.39Å; R21-D69 PolarHBondContact NE-OD1 2.94Å; R21-D69 IonicContact NH2-OD1 3.58Å; R21-D69 PolarHBondContact NH2-OD1 3.39Å; R21-D69 IonicContact NH2-OD2 3.74Å; R21-D69 PolarHBondContact NH2-OD2 2.81Å; D69-A83 HydrophobicContact CB-CB 4.44Å; D69-A83 WeakPolarHBondContact O-CB 3.35Å; D69-A83 PolarHBondContact O-N 3.01Å; D69-I113 HydrophobicContact CB-CG2 4.23Å; D69-I113 PolarHBondContact OD2-N 2.8Å |
| 70 | F | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.1 | 173.5 | 81.3 | -82.1 | 0 | 0 | 0 | 109.4 | C19 R21 G33 C35 L41 W72 L81 I82 | C19-F70 HydrophobicContact CB-CD1 4.23Å; C19-F70 HydrophobicContact CB-CE1 4.33Å; R21-F70 HydrophobicContact CB-CE1 4.17Å; R21-F70 HydrophobicContact CB-CE2 4.19Å; R21-F70 HydrophobicContact CB-CZ 3.6Å; R21-F70 WeakPolarHBondContact CD-O 3.2Å; R21-F70 HydrophobicContact CG-CE1 4.06Å; R21-F70 HydrophobicContact CG-CZ 3.99Å; R21-F70 PolarHBondContact NE-O 3.41Å; G33-F70 VanDerWaalsContact C-CZ 3.49Å; G33-F70 VanDerWaalsContact O-CZ 3.27Å; G33-F70 WeakPolarHBondContact O-CZ 3.13Å; C35-F70 HydrophobicContact CB-CD1 4.25Å; L41-F70 HydrophobicContact CD1-CD1 4.14Å; L41-F70 HydrophobicContact CD1-CD2 3.97Å; L41-F70 HydrophobicContact CD1-CE1 4.21Å; L41-F70 HydrophobicContact CD1-CE2 4.04Å; L41-F70 HydrophobicContact CD1-CG 4.03Å; L41-F70 HydrophobicContact CD1-CZ 4.17Å; F70-W72 AromaticContact CE2-CE2 3.93Å; F70-W72 HydrophobicContact CE2-CZ2 4.38Å; F70-W72 AromaticContact CE2-NE1 3.59Å; F70-L81 CarbonylContact C-O 3.57Å; F70-L81 WeakPolarHBondContact CA-O 3.39Å; F70-L81 WeakPolarHBondContact CB-O 3.38Å; F70-I82 HydrophobicContact CB-CG1 4.36Å |
| 71 | A | 95.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 121.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L81 I113 W115 | A71-L81 PolarHBondContact N-O 3.48Å; A71-L81 PolarHBondContact O-N 3.08Å; A71-I113 HydrophobicContact CB-CG2 4.17Å; A71-W115 VanDerWaalsContact CB-CD1 3.47Å; A71-W115 PolarHBondContact O-NE1 3.32Å |
| 72 | W | 94.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 137.6 | 170.3 | -64.1 | 106 | 0 | 0 | 0 | 111.4 | R21 F22 N23 P24 V43 F70 V80 V94 W115 | R21-W72 PolarHBondContact O-NE1 2.65Å; F22-W72 VanDerWaalsContact O-CD1 3.27Å; N23-W72 HydrophobicContact CB-CD2 4.01Å; N23-W72 HydrophobicContact CB-CE3 4.42Å; N23-W72 HydrophobicContact CB-CG 4.32Å; N23-W72 HydrophobicContact CB-CZ2 4.32Å; P24-W72 HydrophobicContact CG-CB 4.19Å; V43-W72 HydrophobicContact CG1-CH2 4.18Å; V43-W72 HydrophobicContact CG2-CH2 4.22Å; F70-W72 AromaticContact CE2-CE2 3.93Å; F70-W72 HydrophobicContact CE2-CZ2 4.38Å; F70-W72 AromaticContact CE2-NE1 3.59Å; W72-V80 HydrophobicContact CD2-CG1 3.88Å; W72-V80 HydrophobicContact CE3-CG1 3.34Å; W72-V80 HydrophobicContact CH2-CG1 4.26Å; W72-V80 HydrophobicContact CZ3-CG1 3.55Å; W72-V94 HydrophobicContact CH2-CG2 4.42Å; W72-V94 HydrophobicContact CZ3-CG2 4.07Å; W72-W115 VanDerWaalsContact O-CD1 3.22Å; W72-W115 PolarHBondContact O-NE1 2.81Å; W72-W115 VanDerWaalsContact O-NE1 3.14Å |
| 73 | C | 93.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | trans | -68.3 | 127.8 | 172.6 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | D75 K79 W115 | C73-D75 VanDerWaalsContact C-N 3.33Å; C73-D75 PolarHBondContact O-N 3.14Å; C73-K79 HydrophobicContact CB-CB 3.95Å; C73-K79 WeakPolarHBondContact CB-O 3.37Å; C73-K79 PolarHBondContact N-O 2.93Å; C73-W115 HydrophobicContact CB-CH2 4.17Å; C73-W115 HydrophobicContact CB-CZ2 3.65Å | ||
| 74 | P | 87.5 | Confident | 93.3 | Very high | 53 Ų | 53 | 32.2 Ų | 32.2 | 34% | 0.344 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -80 | -9.6 | -174.8 | 31.7 | -36.9 | 0 | 0 | 0 | 114.7 | ||
| 75 | D | 85.2 | Confident | 93.6 | Very high | 96 Ų | 96 | 22.8 Ų | 22.8 | 51% | 0.513 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -115.4 | -24.1 | -175 | -173.1 | 52.1 | 0 | 0 | 0 | 112.6 | C73 P120 | C73-D75 VanDerWaalsContact C-N 3.33Å; C73-D75 PolarHBondContact O-N 3.14Å; D75-P120 HydrophobicContact CB-CB 3.51Å; D75-P120 HydrophobicContact CB-CG 3.77Å |
| 76 | I | 87.4 | Confident | 93.7 | Very high | 63 Ų | 63 | 21.9 Ų | 21.9 | 32% | 0.323 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -125.1 | 120.9 | -177.1 | -49.3 | 175.6 | 0 | 0 | 0 | 109.1 | K79 | I76-K79 HydrophobicContact CB-CD 4.2Å; I76-K79 HydrophobicContact CB-CG 4.47Å; I76-K79 HydrophobicContact CD1-CD 4.43Å; I76-K79 HydrophobicContact CG2-CD 3.65Å; I76-K79 HydrophobicContact CG2-CG 4.01Å |
| 77 | D | 87.5 | Confident | 93.8 | Very high | 58 Ų | 58 | 25.7 Ų | 25.7 | 31% | 0.31 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 146.1 | 176.1 | -80.2 | -59.1 | 0 | 0 | 0 | 112.8 | N25 N28 K79 | N25-D77 VanDerWaalsContact CB-OD1 3.28Å; N25-D77 WeakPolarHBondContact CB-OD1 3.16Å; N25-D77 PolarHBondContact ND2-OD1 3.37Å; N28-D77 VanDerWaalsContact ND2-CG 3.26Å; N28-D77 PolarHBondContact ND2-OD1 2.89Å; D77-K79 PolarHBondContact O-N 2.91Å |
| 78 | L | 91.8 | Very high | 93.9 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 14% | 0.141 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 11.7 | 174.5 | -51.6 | -178 | 0 | 0 | 0 | 116.4 | L31 V94 E95 | L31-L78 HydrophobicContact CD1-CD2 3.35Å; L78-V94 HydrophobicContact CB-CB 4.4Å; L78-V94 VanDerWaalsContact O-CB 3.26Å; L78-V94 WeakPolarHBondContact O-CB 3.43Å; L78-V94 WeakPolarHBondContact O-CG2 3.42Å; L78-V94 PolarHBondContact O-N 2.96Å; L78-E95 HydrophobicContact CB-CB 4.42Å; L78-E95 HydrophobicContact CD1-CB 3.81Å; L78-E95 HydrophobicContact CD1-CG 4.24Å |
| 79 | K | 94.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 25.7 Ų | 25.7 | 20% | 0.204 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142 | 172 | -59.8 | -168.4 | -175.1 | -170 | 0 | 111.5 | C73 I76 D77 Y91 S92 D93 L100 | C73-K79 HydrophobicContact CB-CB 3.95Å; C73-K79 WeakPolarHBondContact CB-O 3.37Å; C73-K79 PolarHBondContact N-O 2.93Å; I76-K79 HydrophobicContact CB-CD 4.2Å; I76-K79 HydrophobicContact CB-CG 4.47Å; I76-K79 HydrophobicContact CD1-CD 4.43Å; I76-K79 HydrophobicContact CG2-CD 3.65Å; I76-K79 HydrophobicContact CG2-CG 4.01Å; D77-K79 PolarHBondContact O-N 2.91Å; K79-Y91 HydrophobicContact CB-CE2 3.91Å; K79-Y91 WeakPolarHBondContact CD-OH 3.49Å; K79-S92 WeakPolarHBondContact CA-O 3.25Å; K79-D93 WeakPolarHBondContact CE-OD2 3.44Å; K79-D93 IonicContact NZ-OD2 3.97Å; K79-L100 HydrophobicContact CD-CD1 3.85Å |
| 80 | V | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.5 | -175.4 | -67.1 | 0 | 0 | 0 | 0 | 111 | L41 W72 I82 Y91 S92 V94 | L41-V80 HydrophobicContact CD2-CB 4.49Å; L41-V80 HydrophobicContact CD2-CG1 4.24Å; L41-V80 HydrophobicContact CD2-CG2 3.97Å; W72-V80 HydrophobicContact CD2-CG1 3.88Å; W72-V80 HydrophobicContact CE3-CG1 3.34Å; W72-V80 HydrophobicContact CH2-CG1 4.26Å; W72-V80 HydrophobicContact CZ3-CG1 3.55Å; V80-I82 HydrophobicContact CB-CG1 4.42Å; V80-I82 HydrophobicContact CG2-CD1 3.92Å; V80-I82 HydrophobicContact CG2-CG1 3.92Å; V80-Y91 WeakPolarHBondContact O-CA 3.26Å; V80-Y91 WeakPolarHBondContact O-CD2 3.4Å; V80-S92 PolarHBondContact N-O 2.75Å; V80-S92 PolarHBondContact O-N 2.95Å; V80-V94 HydrophobicContact CB-CG2 4.46Å; V80-V94 HydrophobicContact CG1-CG2 3.82Å; V80-V94 HydrophobicContact CG2-CG2 3.78Å |
| 81 | L | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 141.4 | 156.7 | -72.8 | 169.1 | 0 | 0 | 0 | 109 | F70 A71 I89 S90 Y91 I113 W115 F123 | F70-L81 CarbonylContact C-O 3.57Å; F70-L81 WeakPolarHBondContact CA-O 3.39Å; F70-L81 WeakPolarHBondContact CB-O 3.38Å; A71-L81 PolarHBondContact N-O 3.48Å; A71-L81 PolarHBondContact O-N 3.08Å; L81-I89 HydrophobicContact CD2-CG2 4.14Å; L81-S90 CarbonylContact C-O 3.55Å; L81-S90 WeakPolarHBondContact CA-O 3.5Å; L81-Y91 HydrophobicContact CD2-CD2 3.89Å; L81-Y91 HydrophobicContact CD2-CG 4.23Å; L81-Y91 HydrophobicContact CG-CD2 4.22Å; L81-I113 HydrophobicContact CB-CD1 3.73Å; L81-I113 HydrophobicContact CB-CG1 4.3Å; L81-I113 HydrophobicContact CD1-CD1 4.09Å; L81-I113 HydrophobicContact CD1-CG1 4.27Å; L81-I113 HydrophobicContact CG-CD1 4.36Å; L81-W115 HydrophobicContact CB-CZ2 4.46Å; L81-W115 HydrophobicContact CD1-CD2 3.67Å; L81-W115 HydrophobicContact CD1-CE3 4.03Å; L81-W115 HydrophobicContact CD1-CG 4.35Å; L81-W115 HydrophobicContact CD1-CH2 3.88Å; L81-W115 HydrophobicContact CD1-CZ2 3.47Å; L81-W115 VanDerWaalsContact CD1-CZ2 3.47Å; L81-W115 HydrophobicContact CD1-CZ3 4.12Å; L81-W115 HydrophobicContact CG-CH2 4.08Å; L81-W115 HydrophobicContact CG-CZ2 3.49Å; L81-W115 VanDerWaalsContact CG-CZ2 3.49Å; L81-F123 HydrophobicContact CD1-CB 3.6Å; L81-F123 HydrophobicContact CD1-CD1 3.62Å; L81-F123 HydrophobicContact CD1-CD2 3.55Å; L81-F123 HydrophobicContact CD1-CE1 4.1Å; L81-F123 HydrophobicContact CD1-CE2 4.03Å; L81-F123 HydrophobicContact CD1-CG 3.31Å; L81-F123 HydrophobicContact CD1-CZ 4.28Å; L81-F123 HydrophobicContact CD2-CD1 4.31Å; L81-F123 HydrophobicContact CD2-CD2 4.43Å; L81-F123 HydrophobicContact CD2-CE1 3.94Å; L81-F123 HydrophobicContact CD2-CE2 4.06Å; L81-F123 HydrophobicContact CD2-CZ 3.8Å |
| 82 | I | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.4 | -177.2 | -56 | 178.9 | 0 | 0 | 0 | 108.3 | L41 F62 I67 F70 V80 I89 S90 | L41-I82 HydrophobicContact CD2-CD1 4.17Å; F62-I82 HydrophobicContact CB-CD1 3.75Å; F62-I82 HydrophobicContact CD1-CD1 4.4Å; F62-I82 HydrophobicContact CD2-CD1 3.24Å; F62-I82 HydrophobicContact CE2-CD1 3.85Å; F62-I82 HydrophobicContact CG-CD1 3.55Å; I67-I82 HydrophobicContact CB-CG2 4.17Å; I67-I82 HydrophobicContact CD1-CG2 3.51Å; I67-I82 HydrophobicContact CG1-CG2 3.54Å; I67-I82 HydrophobicContact CG2-CG2 3.5Å; I67-I82 VanDerWaalsContact CG2-CG2 3.5Å; F70-I82 HydrophobicContact CB-CG1 4.36Å; V80-I82 HydrophobicContact CB-CG1 4.42Å; V80-I82 HydrophobicContact CG2-CD1 3.92Å; V80-I82 HydrophobicContact CG2-CG1 3.92Å; I82-I89 VanDerWaalsContact O-CA 3.23Å; I82-I89 WeakPolarHBondContact O-CA 3.38Å; I82-I89 WeakPolarHBondContact O-CG2 3.46Å; I82-S90 WeakPolarHBondContact CB-OG 3.36Å; I82-S90 PolarHBondContact N-O 3.26Å; I82-S90 PolarHBondContact O-N 3.35Å; I82-S90 VanDerWaalsContact O-N 3.1Å |
| 83 | A | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | F68 D69 V110 I113 | F68-A83 PolarHBondContact N-O 3.31Å; D69-A83 HydrophobicContact CB-CB 4.44Å; D69-A83 WeakPolarHBondContact O-CB 3.35Å; D69-A83 PolarHBondContact O-N 3.01Å; A83-V110 HydrophobicContact CB-CB 3.97Å; A83-V110 HydrophobicContact CB-CG1 3.72Å; A83-I113 HydrophobicContact CB-CB 4.16Å; A83-I113 HydrophobicContact CB-CD1 4.49Å; A83-I113 HydrophobicContact CB-CG2 4.19Å |
| 84 | S | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 155.6 | -169.6 | -179.9 | 0 | 0 | 0 | 0 | 113.8 | H63 A66 D86 S88 V110 | H63-S84 WeakPolarHBondContact CB-OG 3.36Å; H63-S84 VanDerWaalsContact CG-CB 3.48Å; H63-S84 VanDerWaalsContact ND1-CB 3.25Å; H63-S84 WeakPolarHBondContact ND1-CB 3.38Å; H63-S84 PolarHBondContact ND1-OG 3.07Å; A66-S84 CarbonylContact O-C 3.58Å; S84-D86 VanDerWaalsContact CB-OD1 3.22Å; S84-D86 WeakPolarHBondContact CB-OD1 3.31Å; S84-D86 PolarHBondContact O-N 2.92Å; S84-D86 PolarHBondContact OG-N 2.71Å; S84-D86 PolarHBondContact OG-OD1 2.84Å; S84-D86 VanDerWaalsContact OG-OD1 3.11Å; S84-D86 PolarHBondContact OG-OD2 2.75Å; S84-S88 PolarHBondContact N-O 3.08Å; S84-V110 PolarHBondContact O-N 3.04Å |
| 85 | A | 96 | Very high | 94.4 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 7% | 0.066 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N65 A66 F68 E87 S109 | N65-A85 HydrophobicContact CB-CB 3.97Å; N65-A85 WeakPolarHBondContact ND2-CB 3.29Å; N65-A85 WeakPolarHBondContact OD1-CB 3.06Å; A66-A85 HydrophobicContact CB-CB 3.98Å; A66-A85 VanDerWaalsContact O-CB 3.23Å; A66-A85 WeakPolarHBondContact O-CB 3.29Å; A66-A85 PolarHBondContact O-N 3.34Å; F68-A85 HydrophobicContact CD2-CB 4.29Å; F68-A85 HydrophobicContact CE2-CB 3.4Å; F68-A85 HydrophobicContact CZ-CB 3.8Å; A85-E87 PolarHBondContact O-N 3Å; A85-E87 VanDerWaalsContact O-N 3.13Å; A85-S109 PolarHBondContact O-OG 2.82Å; A85-S109 VanDerWaalsContact O-OG 3.04Å |
| 86 | D | 95.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 30.6 Ų | 30.6 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 17.2 | 177.5 | 67.7 | 27.3 | 0 | 0 | 0 | 115 | H63 N65 S84 S88 | H63-D86 WeakPolarHBondContact CB-OD2 3.29Å; H63-D86 IonicContact CE1-OD1 3.95Å; H63-D86 IonicContact CE1-OD2 3.43Å; H63-D86 IonicContact CG-OD2 3.36Å; H63-D86 IonicContact ND1-OD1 3.93Å; H63-D86 PolarHBondContact ND1-OD1 3.07Å; H63-D86 IonicContact ND1-OD2 3.94Å; H63-D86 PolarHBondContact ND1-OD2 3.26Å; N65-D86 HydrophobicContact CB-CB 4.08Å; S84-D86 VanDerWaalsContact CB-OD1 3.22Å; S84-D86 WeakPolarHBondContact CB-OD1 3.31Å; S84-D86 PolarHBondContact O-N 2.92Å; S84-D86 PolarHBondContact OG-N 2.71Å; S84-D86 PolarHBondContact OG-OD1 2.84Å; S84-D86 VanDerWaalsContact OG-OD1 3.11Å; S84-D86 PolarHBondContact OG-OD2 2.75Å; D86-S88 PolarHBondContact O-N 2.92Å; D86-S88 VanDerWaalsContact O-N 3.11Å; D86-S88 VanDerWaalsContact OD1-CB 3.31Å; D86-S88 WeakPolarHBondContact OD1-CB 3.46Å; D86-S88 PolarHBondContact OD1-N 3.28Å; D86-S88 PolarHBondContact OD1-OG 3Å |
| 87 | E | 96.1 | Very high | 95 | Very high | 88 Ų | 88 | 29.1 Ų | 29.1 | 41% | 0.411 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 68.1 | 1.3 | 177.9 | -36.4 | -169.5 | 166.1 | 0 | 0 | 114.8 | A85 R107 G108 | A85-E87 PolarHBondContact O-N 3Å; A85-E87 VanDerWaalsContact O-N 3.13Å; E87-R107 VanDerWaalsContact OE2-C 3.31Å; E87-R107 WeakPolarHBondContact OE2-CA 3.43Å; E87-G108 WeakPolarHBondContact OE1-CA 3.42Å; E87-G108 PolarHBondContact OE1-N 3.18Å; E87-G108 PolarHBondContact OE2-N 3.21Å |
| 88 | S | 96.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | trans | -107.2 | 164.1 | 179 | 80.8 | 0 | 0 | 0 | 0 | 113.4 | H63 S84 D86 | H63-S88 PolarHBondContact CE1-OG 2.96Å; H63-S88 PolarHBondContact ND1-OG 3.31Å; S84-S88 PolarHBondContact N-O 3.08Å; D86-S88 PolarHBondContact O-N 2.92Å; D86-S88 VanDerWaalsContact O-N 3.11Å; D86-S88 VanDerWaalsContact OD1-CB 3.31Å; D86-S88 WeakPolarHBondContact OD1-CB 3.46Å; D86-S88 PolarHBondContact OD1-N 3.28Å; D86-S88 PolarHBondContact OD1-OG 3Å | ||
| 89 | I | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.3 | 170.9 | -62.5 | 149.5 | 0 | 0 | 0 | 107.5 | L81 I82 T102 F103 V110 I113 F123 S125 W135 | L81-I89 HydrophobicContact CD2-CG2 4.14Å; I82-I89 VanDerWaalsContact O-CA 3.23Å; I82-I89 WeakPolarHBondContact O-CA 3.38Å; I82-I89 WeakPolarHBondContact O-CG2 3.46Å; I89-T102 CarbonylContact O-C 3.57Å; I89-T102 WeakPolarHBondContact O-CA 3.23Å; I89-F103 HydrophobicContact CB-CB 4.24Å; I89-F103 HydrophobicContact CB-CD2 4.44Å; I89-F103 HydrophobicContact CG2-CD2 4.21Å; I89-F103 PolarHBondContact N-O 3.06Å; I89-F103 VanDerWaalsContact N-O 3.14Å; I89-F103 PolarHBondContact O-N 3.41Å; I89-V110 HydrophobicContact CD1-CG1 4.1Å; I89-V110 HydrophobicContact CG1-CB 4.41Å; I89-V110 HydrophobicContact CG1-CG1 3.97Å; I89-V110 HydrophobicContact CG1-CG2 4.13Å; I89-I113 HydrophobicContact CD1-CD1 4.43Å; I89-I113 HydrophobicContact CG1-CD1 4.29Å; I89-I113 HydrophobicContact CG2-CD1 3.55Å; I89-F123 HydrophobicContact CD1-CE2 4.48Å; I89-F123 HydrophobicContact CG2-CE2 4.16Å; I89-S125 VanDerWaalsContact CD1-OG 3.26Å; I89-S125 WeakPolarHBondContact CD1-OG 3.47Å; I89-W135 HydrophobicContact CD1-CZ2 4.07Å |
| 90 | S | 96.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 141.6 | 168.4 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | H63 L81 I82 S92 | H63-S90 WeakPolarHBondContact NE2-CB 3.48Å; H63-S90 PolarHBondContact NE2-OG 2.92Å; L81-S90 CarbonylContact C-O 3.55Å; L81-S90 WeakPolarHBondContact CA-O 3.5Å; I82-S90 WeakPolarHBondContact CB-OG 3.36Å; I82-S90 PolarHBondContact N-O 3.26Å; I82-S90 PolarHBondContact O-N 3.35Å; I82-S90 VanDerWaalsContact O-N 3.1Å; S90-S92 WeakPolarHBondContact CB-OG 3.41Å; S90-S92 PolarHBondContact OG-OG 2.98Å |
| 91 | Y | 96.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116 | 160.9 | 175.9 | -123.5 | 0 | 0 | 0 | 107.3 | K79 V80 L81 L100 S101 W115 L137 | K79-Y91 HydrophobicContact CB-CE2 3.91Å; K79-Y91 WeakPolarHBondContact CD-OH 3.49Å; V80-Y91 WeakPolarHBondContact O-CA 3.26Å; V80-Y91 WeakPolarHBondContact O-CD2 3.4Å; L81-Y91 HydrophobicContact CD2-CD2 3.89Å; L81-Y91 HydrophobicContact CD2-CG 4.23Å; L81-Y91 HydrophobicContact CG-CD2 4.22Å; Y91-L100 HydrophobicContact CD1-CB 3.94Å; Y91-L100 HydrophobicContact CD1-CD1 4.06Å; Y91-L100 HydrophobicContact CE1-CB 4.36Å; Y91-L100 HydrophobicContact CE1-CD1 3.74Å; Y91-L100 WeakPolarHBondContact O-CA 3.35Å; Y91-L100 WeakPolarHBondContact O-CB 3.47Å; Y91-L100 PolarHBondContact O-N 2.97Å; Y91-S101 PolarHBondContact N-O 3.17Å; Y91-S101 PolarHBondContact O-N 2.9Å; Y91-S101 VanDerWaalsContact O-N 3.11Å; Y91-W115 HydrophobicContact CD2-CH2 4.31Å; Y91-W115 HydrophobicContact CD2-CZ2 4.36Å; Y91-W115 AromaticContact CE2-CH2 3.86Å; Y91-W115 HydrophobicContact CE2-CH2 3.86Å; Y91-W115 HydrophobicContact CE2-CZ2 4.05Å; Y91-L137 HydrophobicContact CD1-CD2 4.29Å; Y91-L137 HydrophobicContact CE1-CD1 4.43Å; Y91-L137 HydrophobicContact CE2-CD1 4.44Å; Y91-L137 HydrophobicContact CG-CD2 4.37Å |
| 92 | S | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.2 | -163.1 | -61.1 | 0 | 0 | 0 | 0 | 112 | F62 K79 V80 S90 T99 | F62-S92 WeakPolarHBondContact CD1-OG 3.3Å; K79-S92 WeakPolarHBondContact CA-O 3.25Å; V80-S92 PolarHBondContact N-O 2.75Å; V80-S92 PolarHBondContact O-N 2.95Å; S90-S92 WeakPolarHBondContact CB-OG 3.41Å; S90-S92 PolarHBondContact OG-OG 2.98Å; S92-T99 PolarHBondContact OG-OG1 2.85Å |
| 93 | D | 94.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 114.4 | 179.9 | -173.8 | -66.9 | 0 | 0 | 0 | 108.6 | K79 E95 T96 G97 K98 L100 | K79-D93 WeakPolarHBondContact CE-OD2 3.44Å; K79-D93 IonicContact NZ-OD2 3.97Å; D93-E95 PolarHBondContact OD1-N 2.95Å; D93-T96 WeakPolarHBondContact CB-OG1 3.49Å; D93-T96 VanDerWaalsContact CG-OG1 3.22Å; D93-T96 PolarHBondContact OD1-N 2.85Å; D93-T96 PolarHBondContact OD1-OG1 3.14Å; D93-G97 CarbonylContact O-C 3.57Å; D93-G97 WeakPolarHBondContact O-CA 3.28Å; D93-G97 PolarHBondContact O-N 3.03Å; D93-K98 PolarHBondContact N-O 2.93Å; D93-K98 PolarHBondContact O-N 3.08Å; D93-L100 HydrophobicContact CB-CD1 4.06Å; D93-L100 HydrophobicContact CB-CD2 4.08Å; D93-L100 HydrophobicContact CB-CG 4.01Å |
| 94 | V | 94 | Very high | 95.1 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26.9 | -173.2 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | L41 V43 T58 W72 L78 V80 | L41-V94 HydrophobicContact CD2-CG2 4.18Å; V43-V94 HydrophobicContact CB-CG1 4.42Å; V43-V94 HydrophobicContact CG2-CG1 3.83Å; T58-V94 HydrophobicContact CG2-CG1 3.75Å; W72-V94 HydrophobicContact CH2-CG2 4.42Å; W72-V94 HydrophobicContact CZ3-CG2 4.07Å; L78-V94 HydrophobicContact CB-CB 4.4Å; L78-V94 VanDerWaalsContact O-CB 3.26Å; L78-V94 WeakPolarHBondContact O-CB 3.43Å; L78-V94 WeakPolarHBondContact O-CG2 3.42Å; L78-V94 PolarHBondContact O-N 2.96Å; V80-V94 HydrophobicContact CB-CG2 4.46Å; V80-V94 HydrophobicContact CG1-CG2 3.82Å; V80-V94 HydrophobicContact CG2-CG2 3.78Å |
| 95 | E | 91.7 | Very high | 94.8 | Very high | 154 Ų | 154 | 48 Ų | 48 | 72% | 0.72 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -45.4 | 179 | -172 | 173.2 | -165.4 | 0 | 0 | 111.2 | L78 D93 | L78-E95 HydrophobicContact CB-CB 4.42Å; L78-E95 HydrophobicContact CD1-CB 3.81Å; L78-E95 HydrophobicContact CD1-CG 4.24Å; D93-E95 PolarHBondContact OD1-N 2.95Å |
| 96 | T | 92.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -12.4 | -179.8 | 61.1 | 0 | 0 | 0 | 0 | 114 | D93 K98 | D93-T96 WeakPolarHBondContact CB-OG1 3.49Å; D93-T96 VanDerWaalsContact CG-OG1 3.22Å; D93-T96 PolarHBondContact OD1-N 2.85Å; D93-T96 PolarHBondContact OD1-OG1 3.14Å; T96-K98 PolarHBondContact O-N 2.91Å |
| 97 | G | 92.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 12.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D93 | D93-G97 CarbonylContact O-C 3.57Å; D93-G97 WeakPolarHBondContact O-CA 3.28Å; D93-G97 PolarHBondContact O-N 3.03Å |
| 98 | K | 94.2 | Very high | 94.6 | Very high | 142 Ų | 142 | 51.4 Ų | 51.4 | 62% | 0.617 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132.2 | -172.5 | -66.5 | -179 | -178.3 | 179.8 | 0 | 112.2 | D93 T96 L100 | D93-K98 PolarHBondContact N-O 2.93Å; D93-K98 PolarHBondContact O-N 3.08Å; T96-K98 PolarHBondContact O-N 2.91Å; K98-L100 PolarHBondContact O-N 2.83Å |
| 99 | T | 95.1 | Very high | 94.5 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 115.2 | 163.5 | -56.7 | 0 | 0 | 0 | 0 | 109.3 | S92 | S92-T99 PolarHBondContact OG-OG1 2.85Å |
| 100 | L | 94 | Very high | 94.5 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 38% | 0.382 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -30.2 | -179.3 | -58.7 | 178.9 | 0 | 0 | 0 | 112.3 | K79 Y91 D93 K98 | K79-L100 HydrophobicContact CD-CD1 3.85Å; Y91-L100 HydrophobicContact CD1-CB 3.94Å; Y91-L100 HydrophobicContact CD1-CD1 4.06Å; Y91-L100 HydrophobicContact CE1-CB 4.36Å; Y91-L100 HydrophobicContact CE1-CD1 3.74Å; Y91-L100 WeakPolarHBondContact O-CA 3.35Å; Y91-L100 WeakPolarHBondContact O-CB 3.47Å; Y91-L100 PolarHBondContact O-N 2.97Å; D93-L100 HydrophobicContact CB-CD1 4.06Å; D93-L100 HydrophobicContact CB-CD2 4.08Å; D93-L100 HydrophobicContact CB-CG 4.01Å; K98-L100 PolarHBondContact O-N 2.83Å |
| 101 | S | 94.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 53 Ų | 53 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 146.9 | 176.2 | -69.8 | 0 | 0 | 0 | 0 | 110.7 | Y91 R142 | Y91-S101 PolarHBondContact N-O 3.17Å; Y91-S101 PolarHBondContact O-N 2.9Å; Y91-S101 VanDerWaalsContact O-N 3.11Å; S101-R142 PolarHBondContact OG-NE 3.06Å; S101-R142 PolarHBondContact OG-NH2 3.41Å |
| 102 | T | 94.7 | Very high | 94.4 | Very high | 66 Ų | 66 | 52 Ų | 52 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.1 | 171.4 | -52.9 | 0 | 0 | 0 | 0 | 108.9 | I89 L104 | I89-T102 CarbonylContact O-C 3.57Å; I89-T102 WeakPolarHBondContact O-CA 3.23Å; T102-L104 HydrophobicContact CG2-CD2 4.15Å; T102-L104 HydrophobicContact CG2-CG 4.44Å |
| 103 | F | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.4 | 177.8 | -54.7 | -93.9 | 0 | 0 | 0 | 108.9 | I89 F123 W135 L137 R142 | I89-F103 HydrophobicContact CB-CB 4.24Å; I89-F103 HydrophobicContact CB-CD2 4.44Å; I89-F103 HydrophobicContact CG2-CD2 4.21Å; I89-F103 PolarHBondContact N-O 3.06Å; I89-F103 VanDerWaalsContact N-O 3.14Å; I89-F103 PolarHBondContact O-N 3.41Å; F103-F123 HydrophobicContact CD1-CZ 4.17Å; F103-F123 AromaticContact CD2-CZ 3.93Å; F103-F123 HydrophobicContact CD2-CZ 3.93Å; F103-F123 HydrophobicContact CE1-CE1 4.34Å; F103-F123 HydrophobicContact CE1-CZ 4.17Å; F103-F123 HydrophobicContact CE2-CE1 4.38Å; F103-F123 AromaticContact CE2-CZ 3.98Å; F103-F123 HydrophobicContact CE2-CZ 3.98Å; F103-F123 HydrophobicContact CG-CZ 4.07Å; F103-F123 HydrophobicContact CZ-CE1 4.19Å; F103-F123 HydrophobicContact CZ-CZ 4.12Å; F103-W135 HydrophobicContact CB-CD2 4.25Å; F103-W135 HydrophobicContact CB-CE3 3.91Å; F103-W135 HydrophobicContact CB-CH2 3.86Å; F103-W135 HydrophobicContact CB-CZ2 4.18Å; F103-W135 HydrophobicContact CB-CZ3 3.72Å; F103-W135 HydrophobicContact CD1-CD2 4.15Å; F103-W135 AromaticContact CD1-CE3 3.61Å; F103-W135 HydrophobicContact CD1-CE3 3.61Å; F103-W135 HydrophobicContact CD1-CZ3 4.09Å; F103-W135 HydrophobicContact CG-CD2 4.43Å; F103-W135 HydrophobicContact CG-CE3 4.13Å; F103-W135 HydrophobicContact CG-CZ3 4.38Å; F103-L137 HydrophobicContact CE1-CD2 4.22Å; F103-L137 HydrophobicContact CE2-CD2 4.22Å; F103-L137 HydrophobicContact CZ-CD2 3.47Å; F103-L137 VanDerWaalsContact CZ-CD2 3.47Å; F103-R142 HydrophobicContact CD1-CB 4.06Å; F103-R142 HydrophobicContact CE1-CB 4.19Å; F103-R142 HydrophobicContact CE1-CG 4.43Å |
| 104 | L | 94.9 | Very high | 94.5 | Very high | 126 Ų | 126 | 52.4 Ų | 52.4 | 66% | 0.66 | 28% | 0.282 | S | S | * | . | trans | -123.8 | 137 | -177.7 | -59.9 | 175.9 | 0 | 0 | 0 | 108.5 | T102 | T102-L104 HydrophobicContact CG2-CD2 4.15Å; T102-L104 HydrophobicContact CG2-CG 4.44Å | ||
| 105 | G | 91.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 53 Ų | 53 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | trans | 161.3 | -20.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 106 | H | 94.7 | Very high | 94.6 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | trans | -69.6 | 156.6 | 163.1 | -79.4 | -67.4 | 0 | 0 | 0 | 110.6 | V110 S125 G127 D129 H131 | H106-V110 HydrophobicContact CB-CG2 4.03Å; H106-S125 PolarHBondContact CD2-OG 3.31Å; H106-S125 WeakPolarHBondContact NE2-CB 3.37Å; H106-S125 PolarHBondContact NE2-OG 3.21Å; H106-G127 PolarHBondContact CE1-N 2.84Å; H106-D129 WeakPolarHBondContact CA-OD2 3.19Å; H106-D129 WeakPolarHBondContact CB-OD2 3.32Å; H106-D129 IonicContact CE1-OD1 2.7Å; H106-D129 IonicContact CG-OD2 3.44Å; H106-D129 IonicContact ND1-OD1 2.77Å; H106-D129 PolarHBondContact ND1-OD1 3.49Å; H106-D129 IonicContact ND1-OD2 3.46Å; H106-D129 PolarHBondContact ND1-OD2 2.82Å; H106-H131 PolarHBondContact CE1-O 2.85Å | ||
| 107 | R | 94.3 | Very high | 94.4 | Very high | 203 Ų | 203 | 47 Ų | 47 | 77% | 0.766 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -123.6 | 37.9 | 177.3 | -65.6 | 179.8 | 173 | -113.4 | -0.2 | 111.5 | E87 D129 | E87-R107 VanDerWaalsContact OE2-C 3.31Å; E87-R107 WeakPolarHBondContact OE2-CA 3.43Å; R107-D129 HydrophobicContact CB-CB 4.28Å; R107-D129 PolarHBondContact N-OD2 3.24Å |
| 108 | G | 94.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 167.6 | 160.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E87 V110 | E87-G108 WeakPolarHBondContact OE1-CA 3.42Å; E87-G108 PolarHBondContact OE1-N 3.18Å; E87-G108 PolarHBondContact OE2-N 3.21Å; G108-V110 PolarHBondContact O-N 2.88Å |
| 109 | S | 95.2 | Very high | 94.1 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | trans | -46.4 | 127.7 | -174.5 | -54.8 | 0 | 0 | 0 | 0 | 113.8 | A85 G127 R128 | A85-S109 PolarHBondContact O-OG 2.82Å; A85-S109 VanDerWaalsContact O-OG 3.04Å; S109-G127 WeakPolarHBondContact O-CA 3.36Å; S109-R128 PolarHBondContact O-N 3.39Å | ||
| 110 | V | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 123.6 | 177.5 | -165.5 | 0 | 0 | 0 | 0 | 108.4 | F68 A83 S84 I89 H106 G108 | F68-V110 WeakPolarHBondContact CD2-O 3.26Å; A83-V110 HydrophobicContact CB-CB 3.97Å; A83-V110 HydrophobicContact CB-CG1 3.72Å; S84-V110 PolarHBondContact O-N 3.04Å; I89-V110 HydrophobicContact CD1-CG1 4.1Å; I89-V110 HydrophobicContact CG1-CB 4.41Å; I89-V110 HydrophobicContact CG1-CG1 3.97Å; I89-V110 HydrophobicContact CG1-CG2 4.13Å; H106-V110 HydrophobicContact CB-CG2 4.03Å; G108-V110 PolarHBondContact O-N 2.88Å |
| 111 | R | 94.7 | Very high | 93.8 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 11% | 0.106 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -30.3 | -166.2 | -80 | -75.6 | 159.7 | 165.6 | -6.3 | 114.7 | F68 A126 R128 Y270 | F68-R111 VanDerWaalsContact CE1-NH2 3.27Å; F68-R111 VanDerWaalsContact CE2-CZ 3.47Å; R111-A126 PolarHBondContact N-O 2.91Å; R111-R128 HydrophobicContact CG-CG 3.94Å; R111-R128 VanDerWaalsContact NH2-NH2 3.19Å; R111-Y270 VanDerWaalsContact NH1-CZ 3.32Å; R111-Y270 PolarHBondContact NH1-OH 3.24Å |
| 112 | A | 95.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 145.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S125 A126 V168 | A112-S125 WeakPolarHBondContact O-CA 3.44Å; A112-A126 PolarHBondContact N-O 2.89Å; A112-A126 PolarHBondContact O-N 2.86Å; A112-V168 HydrophobicContact CB-CB 4.47Å; A112-V168 HydrophobicContact CB-CG1 3.89Å |
| 113 | I | 96.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 139.2 | 178 | -165.5 | 150.1 | 0 | 0 | 0 | 111.4 | D69 A71 L81 A83 I89 F123 T124 | D69-I113 HydrophobicContact CB-CG2 4.23Å; D69-I113 PolarHBondContact OD2-N 2.8Å; A71-I113 HydrophobicContact CB-CG2 4.17Å; L81-I113 HydrophobicContact CB-CD1 3.73Å; L81-I113 HydrophobicContact CB-CG1 4.3Å; L81-I113 HydrophobicContact CD1-CD1 4.09Å; L81-I113 HydrophobicContact CD1-CG1 4.27Å; L81-I113 HydrophobicContact CG-CD1 4.36Å; A83-I113 HydrophobicContact CB-CB 4.16Å; A83-I113 HydrophobicContact CB-CD1 4.49Å; A83-I113 HydrophobicContact CB-CG2 4.19Å; I89-I113 HydrophobicContact CD1-CD1 4.43Å; I89-I113 HydrophobicContact CG1-CD1 4.29Å; I89-I113 HydrophobicContact CG2-CD1 3.55Å; I113-F123 HydrophobicContact CD1-CD2 3.95Å; I113-F123 HydrophobicContact CD1-CE2 4.04Å; I113-F123 HydrophobicContact CG1-CD2 4.12Å; I113-T124 WeakPolarHBondContact CA-O 3.26Å |
| 114 | S | 96.1 | Very high | 94 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 119.9 | -175.4 | -164.6 | 0 | 0 | 0 | 0 | 111.9 | F123 T124 V168 H170 | S114-F123 CarbonylContact O-C 3.6Å; S114-F123 VanDerWaalsContact O-CA 3.31Å; S114-F123 WeakPolarHBondContact O-CA 3.21Å; S114-T124 PolarHBondContact N-O 3.35Å; S114-T124 PolarHBondContact O-N 3.01Å; S114-V168 WeakPolarHBondContact CB-O 3.19Å; S114-H170 PolarHBondContact OG-N 3.17Å |
| 115 | W | 95.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 142.8 | 171.7 | -75 | 107.2 | 0 | 0 | 0 | 111.9 | A71 W72 C73 L81 Y91 K117 P120 F123 L137 | A71-W115 VanDerWaalsContact CB-CD1 3.47Å; A71-W115 PolarHBondContact O-NE1 3.32Å; W72-W115 VanDerWaalsContact O-CD1 3.22Å; W72-W115 PolarHBondContact O-NE1 2.81Å; W72-W115 VanDerWaalsContact O-NE1 3.14Å; C73-W115 HydrophobicContact CB-CH2 4.17Å; C73-W115 HydrophobicContact CB-CZ2 3.65Å; L81-W115 HydrophobicContact CB-CZ2 4.46Å; L81-W115 HydrophobicContact CD1-CD2 3.67Å; L81-W115 HydrophobicContact CD1-CE3 4.03Å; L81-W115 HydrophobicContact CD1-CG 4.35Å; L81-W115 HydrophobicContact CD1-CH2 3.88Å; L81-W115 HydrophobicContact CD1-CZ2 3.47Å; L81-W115 VanDerWaalsContact CD1-CZ2 3.47Å; L81-W115 HydrophobicContact CD1-CZ3 4.12Å; L81-W115 HydrophobicContact CG-CH2 4.08Å; L81-W115 HydrophobicContact CG-CZ2 3.49Å; L81-W115 VanDerWaalsContact CG-CZ2 3.49Å; Y91-W115 HydrophobicContact CD2-CH2 4.31Å; Y91-W115 HydrophobicContact CD2-CZ2 4.36Å; Y91-W115 AromaticContact CE2-CH2 3.86Å; Y91-W115 HydrophobicContact CE2-CH2 3.86Å; Y91-W115 HydrophobicContact CE2-CZ2 4.05Å; W115-K117 PolarHBondContact O-N 3.29Å; W115-P120 VanDerWaalsContact CZ3-O 3.26Å; W115-P120 WeakPolarHBondContact CZ3-O 3.36Å; W115-F123 HydrophobicContact CD2-CB 4.34Å; W115-F123 HydrophobicContact CE3-CB 4.03Å; W115-F123 HydrophobicContact CZ3-CD1 4.45Å; W115-L137 HydrophobicContact CH2-CD1 3.64Å; W115-L137 HydrophobicContact CZ3-CD1 3.65Å |
| 116 | C | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -74.5 | 106.5 | 165.4 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | E118 N119 L122 H170 | C116-E118 PolarHBondContact O-N 3.04Å; C116-E118 VanDerWaalsContact O-N 3.13Å; C116-N119 HydrophobicContact CB-CB 4.44Å; C116-N119 CarbonylContact O-C 3.6Å; C116-N119 VanDerWaalsContact O-C 3.26Å; C116-N119 PolarHBondContact O-N 3.14Å; C116-N119 VanDerWaalsContact O-O 3.12Å; C116-L122 HydrophobicContact CB-CB 3.78Å; C116-L122 VanDerWaalsContact CB-O 3.31Å; C116-L122 WeakPolarHBondContact CB-O 3.33Å; C116-L122 PolarHBondContact N-O 3.01Å; C116-H170 WeakPolarHBondContact CB-ND1 3.1Å; C116-H170 PolarHBondContact SG-CE1 3.04Å | ||
| 117 | K | 87.6 | Confident | 94.4 | Very high | 108 Ų | 108 | 28.5 Ų | 28.5 | 47% | 0.47 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.7 | 177.4 | -63.4 | -176 | -171.7 | 168.4 | 0 | 113.2 | W115 S229 N233 | W115-K117 PolarHBondContact O-N 3.29Å; K117-S229 PolarHBondContact NZ-OG 3.11Å; K117-N233 PolarHBondContact NZ-OD1 2.77Å |
| 118 | E | 89 | Confident | 94.4 | Very high | 107 Ų | 107 | 25.1 Ų | 25.1 | 50% | 0.5 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -12.9 | 179.3 | -67.5 | 176.5 | 178.5 | 0 | 0 | 114.4 | C116 C172 Q173 | C116-E118 PolarHBondContact O-N 3.04Å; C116-E118 VanDerWaalsContact O-N 3.13Å; E118-C172 HydrophobicContact CG-CB 4.49Å; E118-C172 WeakPolarHBondContact OE1-CB 3.25Å; E118-C172 WeakPolarHBondContact OE2-CA 3.34Å; E118-C172 WeakPolarHBondContact OE2-CB 3.38Å; E118-Q173 HydrophobicContact CB-CG 3.91Å; E118-Q173 PolarHBondContact O-NE2 3.34Å; E118-Q173 PolarHBondContact OE2-N 3.26Å |
| 119 | N | 91.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 10% | 0.102 | 12% | 0.12 | C | C | . | . | trans | -150.7 | 99 | -179.4 | -173.3 | -15.8 | 0 | 0 | 0 | 110.1 | C116 S121 L122 Q173 | C116-N119 HydrophobicContact CB-CB 4.44Å; C116-N119 CarbonylContact O-C 3.6Å; C116-N119 VanDerWaalsContact O-C 3.26Å; C116-N119 PolarHBondContact O-N 3.14Å; C116-N119 VanDerWaalsContact O-O 3.12Å; N119-S121 PolarHBondContact O-N 3.26Å; N119-S121 WeakPolarHBondContact OD1-CB 3.4Å; N119-S121 PolarHBondContact OD1-N 2.95Å; N119-L122 HydrophobicContact CB-CB 4.41Å; N119-L122 HydrophobicContact CB-CD1 4.18Å; N119-L122 HydrophobicContact CB-CG 4.18Å; N119-L122 PolarHBondContact O-N 2.8Å; N119-Q173 HydrophobicContact CB-CG 3.89Å | ||
| 120 | P | 90.9 | Very high | 94.2 | Very high | 39 Ų | 39 | 24.4 Ų | 24.4 | 25% | 0.253 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 3.5 | -177.4 | 30.4 | -36.6 | 0 | 0 | 0 | 114 | D75 W115 | D75-P120 HydrophobicContact CB-CB 3.51Å; D75-P120 HydrophobicContact CB-CG 3.77Å; W115-P120 VanDerWaalsContact CZ3-O 3.26Å; W115-P120 WeakPolarHBondContact CZ3-O 3.36Å |
| 121 | S | 92.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 8% | 0.077 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -12.9 | 166.6 | -54.7 | 0 | 0 | 0 | 0 | 113.4 | N119 D136 L137 R138 | N119-S121 PolarHBondContact O-N 3.26Å; N119-S121 WeakPolarHBondContact OD1-CB 3.4Å; N119-S121 PolarHBondContact OD1-N 2.95Å; S121-D136 CarbonylContact O-C 3.37Å; S121-D136 WeakPolarHBondContact O-CA 3.48Å; S121-L137 PolarHBondContact O-N 2.92Å; S121-R138 WeakPolarHBondContact OG-CD 3.19Å |
| 122 | L | 94.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.6 | -174.9 | -59.9 | -176.5 | 0 | 0 | 0 | 112.4 | C116 N119 W135 D136 I469 | C116-L122 HydrophobicContact CB-CB 3.78Å; C116-L122 VanDerWaalsContact CB-O 3.31Å; C116-L122 WeakPolarHBondContact CB-O 3.33Å; C116-L122 PolarHBondContact N-O 3.01Å; N119-L122 HydrophobicContact CB-CB 4.41Å; N119-L122 HydrophobicContact CB-CD1 4.18Å; N119-L122 HydrophobicContact CB-CG 4.18Å; N119-L122 PolarHBondContact O-N 2.8Å; L122-W135 WeakPolarHBondContact CA-O 3.28Å; L122-W135 WeakPolarHBondContact CD2-O 3.26Å; L122-D136 HydrophobicContact CD2-CB 3.61Å; L122-I469 HydrophobicContact CD1-CD1 4.23Å; L122-I469 HydrophobicContact CD2-CB 4.23Å; L122-I469 HydrophobicContact CD2-CD1 3.9Å; L122-I469 HydrophobicContact CD2-CG1 4.48Å |
| 123 | F | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 163 | 169.5 | 67.2 | -86.2 | 0 | 0 | 0 | 110.3 | L81 I89 F103 I113 S114 W115 W135 L137 | L81-F123 HydrophobicContact CD1-CB 3.6Å; L81-F123 HydrophobicContact CD1-CD1 3.62Å; L81-F123 HydrophobicContact CD1-CD2 3.55Å; L81-F123 HydrophobicContact CD1-CE1 4.1Å; L81-F123 HydrophobicContact CD1-CE2 4.03Å; L81-F123 HydrophobicContact CD1-CG 3.31Å; L81-F123 HydrophobicContact CD1-CZ 4.28Å; L81-F123 HydrophobicContact CD2-CD1 4.31Å; L81-F123 HydrophobicContact CD2-CD2 4.43Å; L81-F123 HydrophobicContact CD2-CE1 3.94Å; L81-F123 HydrophobicContact CD2-CE2 4.06Å; L81-F123 HydrophobicContact CD2-CZ 3.8Å; I89-F123 HydrophobicContact CD1-CE2 4.48Å; I89-F123 HydrophobicContact CG2-CE2 4.16Å; F103-F123 HydrophobicContact CD1-CZ 4.17Å; F103-F123 AromaticContact CD2-CZ 3.93Å; F103-F123 HydrophobicContact CD2-CZ 3.93Å; F103-F123 HydrophobicContact CE1-CE1 4.34Å; F103-F123 HydrophobicContact CE1-CZ 4.17Å; F103-F123 HydrophobicContact CE2-CE1 4.38Å; F103-F123 AromaticContact CE2-CZ 3.98Å; F103-F123 HydrophobicContact CE2-CZ 3.98Å; F103-F123 HydrophobicContact CG-CZ 4.07Å; F103-F123 HydrophobicContact CZ-CE1 4.19Å; F103-F123 HydrophobicContact CZ-CZ 4.12Å; I113-F123 HydrophobicContact CD1-CD2 3.95Å; I113-F123 HydrophobicContact CD1-CE2 4.04Å; I113-F123 HydrophobicContact CG1-CD2 4.12Å; S114-F123 CarbonylContact O-C 3.6Å; S114-F123 VanDerWaalsContact O-CA 3.31Å; S114-F123 WeakPolarHBondContact O-CA 3.21Å; W115-F123 HydrophobicContact CD2-CB 4.34Å; W115-F123 HydrophobicContact CE3-CB 4.03Å; W115-F123 HydrophobicContact CZ3-CD1 4.45Å; F123-W135 HydrophobicContact CD1-CB 3.87Å; F123-W135 HydrophobicContact CD2-CB 4.1Å; F123-W135 AromaticContact CD2-CD1 3.53Å; F123-W135 HydrophobicContact CD2-CG 4.08Å; F123-W135 HydrophobicContact CE1-CB 3.43Å; F123-W135 VanDerWaalsContact CE1-CB 3.43Å; F123-W135 HydrophobicContact CE1-CG 4.11Å; F123-W135 HydrophobicContact CE2-CB 3.71Å; F123-W135 AromaticContact CE2-CD1 3.15Å; F123-W135 HydrophobicContact CE2-CD2 4.34Å; F123-W135 AromaticContact CE2-CG 3.47Å; F123-W135 HydrophobicContact CE2-CG 3.47Å; F123-W135 VanDerWaalsContact CE2-CG 3.47Å; F123-W135 AromaticContact CE2-NE1 3.82Å; F123-W135 HydrophobicContact CG-CB 4.19Å; F123-W135 HydrophobicContact CZ-CB 3.35Å; F123-W135 AromaticContact CZ-CD1 3.71Å; F123-W135 HydrophobicContact CZ-CD2 4.28Å; F123-W135 AromaticContact CZ-CG 3.49Å; F123-W135 HydrophobicContact CZ-CG 3.49Å; F123-W135 VanDerWaalsContact CZ-CG 3.49Å; F123-W135 PolarHBondContact N-O 3.37Å; F123-W135 PolarHBondContact O-N 2.92Å; F123-L137 HydrophobicContact CD1-CD2 4.34Å; F123-L137 HydrophobicContact CD1-CG 4.37Å; F123-L137 HydrophobicContact CE1-CD2 3.68Å; F123-L137 HydrophobicContact CE1-CG 4.14Å |
| 124 | T | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140.9 | 173.8 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | I113 S114 L132 L133 V134 V168 H170 V176 | I113-T124 WeakPolarHBondContact CA-O 3.26Å; S114-T124 PolarHBondContact N-O 3.35Å; S114-T124 PolarHBondContact O-N 3.01Å; T124-L132 HydrophobicContact CG2-CD1 4.03Å; T124-L132 HydrophobicContact CG2-CD2 3.83Å; T124-L132 HydrophobicContact CG2-CG 3.61Å; T124-L133 CarbonylContact C-O 3.56Å; T124-L133 VanDerWaalsContact CA-O 3.26Å; T124-L133 WeakPolarHBondContact CA-O 3.46Å; T124-L133 VanDerWaalsContact CG2-O 3.28Å; T124-L133 WeakPolarHBondContact CG2-O 3.07Å; T124-V134 HydrophobicContact CG2-CG2 4.29Å; T124-V168 HydrophobicContact CG2-CG2 3.66Å; T124-H170 PolarHBondContact OG1-CD2 3.27Å; T124-V176 HydrophobicContact CG2-CG1 4.08Å |
| 125 | S | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 157.9 | 168.9 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | I89 H106 A112 L133 W135 | I89-S125 VanDerWaalsContact CD1-OG 3.26Å; I89-S125 WeakPolarHBondContact CD1-OG 3.47Å; H106-S125 PolarHBondContact CD2-OG 3.31Å; H106-S125 WeakPolarHBondContact NE2-CB 3.37Å; H106-S125 PolarHBondContact NE2-OG 3.21Å; A112-S125 WeakPolarHBondContact O-CA 3.44Å; S125-L133 PolarHBondContact N-O 2.93Å; S125-L133 PolarHBondContact O-N 3.31Å; S125-W135 PolarHBondContact OG-NE1 3.16Å |
| 126 | A | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R111 A112 I165 V168 | R111-A126 PolarHBondContact N-O 2.91Å; A112-A126 PolarHBondContact N-O 2.89Å; A112-A126 PolarHBondContact O-N 2.86Å; A126-I165 HydrophobicContact CB-CB 3.79Å; A126-I165 HydrophobicContact CB-CD1 4.07Å; A126-I165 HydrophobicContact CB-CG1 4.48Å; A126-I165 HydrophobicContact CB-CG2 3.64Å; A126-V168 HydrophobicContact CB-CB 3.97Å; A126-V168 HydrophobicContact CB-CG1 4.23Å |
| 127 | G | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 174.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | H106 S109 D129 G130 H131 I165 | H106-G127 PolarHBondContact CE1-N 2.84Å; S109-G127 WeakPolarHBondContact O-CA 3.36Å; G127-D129 WeakPolarHBondContact CA-OD1 3.39Å; G127-D129 PolarHBondContact O-N 3.19Å; G127-G130 PolarHBondContact O-N 3.22Å; G127-H131 PolarHBondContact N-O 2.65Å; G127-I165 PolarHBondContact O-N 3.41Å |
| 128 | R | 94.5 | Very high | 93.9 | Very high | 132 Ų | 132 | 21.3 Ų | 21.3 | 50% | 0.498 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.4 | 172.2 | -78.9 | -171.5 | 165.7 | -178.8 | -8.6 | 113.5 | S109 R111 G130 P164 | S109-R128 PolarHBondContact O-N 3.39Å; R111-R128 HydrophobicContact CG-CG 3.94Å; R111-R128 VanDerWaalsContact NH2-NH2 3.19Å; R128-G130 PolarHBondContact O-N 3.3Å; R128-P164 HydrophobicContact CB-CB 4.33Å; R128-P164 HydrophobicContact CG-CB 4.28Å |
| 129 | D | 93.1 | Very high | 93.9 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 9% | 0.086 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -4.6 | 170.8 | 60.6 | 1.5 | 0 | 0 | 0 | 113.9 | H106 R107 G127 H131 | H106-D129 WeakPolarHBondContact CA-OD2 3.19Å; H106-D129 WeakPolarHBondContact CB-OD2 3.32Å; H106-D129 IonicContact CE1-OD1 2.7Å; H106-D129 IonicContact CG-OD2 3.44Å; H106-D129 IonicContact ND1-OD1 2.77Å; H106-D129 PolarHBondContact ND1-OD1 3.49Å; H106-D129 IonicContact ND1-OD2 3.46Å; H106-D129 PolarHBondContact ND1-OD2 2.82Å; R107-D129 HydrophobicContact CB-CB 4.28Å; R107-D129 PolarHBondContact N-OD2 3.24Å; G127-D129 WeakPolarHBondContact CA-OD1 3.39Å; G127-D129 PolarHBondContact O-N 3.19Å; D129-H131 PolarHBondContact O-N 2.87Å; D129-H131 PolarHBondContact O-ND1 3.5Å; D129-H131 WeakPolarHBondContact OD1-CB 3.37Å; D129-H131 IonicContact OD1-CG 3.01Å; D129-H131 PolarHBondContact OD1-N 2.76Å; D129-H131 IonicContact OD2-CG 3.36Å |
| 130 | G | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 70.4 | 13.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G127 R128 N150 A151 Q163 | G127-G130 PolarHBondContact O-N 3.22Å; R128-G130 PolarHBondContact O-N 3.3Å; G130-N150 CarbonylContact O-C 3.48Å; G130-N150 VanDerWaalsContact O-CA 3.31Å; G130-N150 WeakPolarHBondContact O-CA 3.42Å; G130-N150 PolarHBondContact O-N 2.7Å; G130-A151 PolarHBondContact O-N 3.29Å; G130-Q163 WeakPolarHBondContact CA-O 3.32Å |
| 131 | H | 94.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 7% | 0.074 | 13% | 0.13 | C | C | . | . | trans | -94.2 | 145.1 | 179.2 | -65.4 | 21.8 | 0 | 0 | 0 | 110.6 | H106 G127 D129 L133 V148 N150 I165 | H106-H131 PolarHBondContact CE1-O 2.85Å; G127-H131 PolarHBondContact N-O 2.65Å; D129-H131 PolarHBondContact O-N 2.87Å; D129-H131 PolarHBondContact O-ND1 3.5Å; D129-H131 WeakPolarHBondContact OD1-CB 3.37Å; D129-H131 IonicContact OD1-CG 3.01Å; D129-H131 PolarHBondContact OD1-N 2.76Å; D129-H131 IonicContact OD2-CG 3.36Å; H131-L133 HydrophobicContact CB-CD2 4.25Å; H131-V148 WeakPolarHBondContact CA-O 3.42Å; H131-N150 PolarHBondContact CE1-OD1 3.46Å; H131-I165 WeakPolarHBondContact O-CD1 3.43Å | ||
| 132 | L | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.1 | 169.3 | 175.9 | 144.1 | 0 | 0 | 0 | 108.7 | T124 V134 V148 A151 I165 V168 V176 | T124-L132 HydrophobicContact CG2-CD1 4.03Å; T124-L132 HydrophobicContact CG2-CD2 3.83Å; T124-L132 HydrophobicContact CG2-CG 3.61Å; L132-V134 HydrophobicContact CD2-CG2 4.25Å; L132-V148 HydrophobicContact CB-CB 4.2Å; L132-V148 HydrophobicContact CD2-CB 4.31Å; L132-V148 HydrophobicContact CD2-CG2 4.02Å; L132-V148 PolarHBondContact N-O 2.99Å; L132-V148 PolarHBondContact O-N 3.34Å; L132-A151 HydrophobicContact CB-CB 4.1Å; L132-I165 HydrophobicContact CB-CD1 3.98Å; L132-V168 HydrophobicContact CD1-CG2 3.78Å; L132-V176 HydrophobicContact CD1-CG1 3.93Å; L132-V176 HydrophobicContact CD2-CG1 4.47Å |
| 133 | L | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.4 | -171.7 | -53.9 | -175.6 | 0 | 0 | 0 | 109.6 | T124 S125 H131 W135 A144 I146 I147 | T124-L133 CarbonylContact C-O 3.56Å; T124-L133 VanDerWaalsContact CA-O 3.26Å; T124-L133 WeakPolarHBondContact CA-O 3.46Å; T124-L133 VanDerWaalsContact CG2-O 3.28Å; T124-L133 WeakPolarHBondContact CG2-O 3.07Å; S125-L133 PolarHBondContact N-O 2.93Å; S125-L133 PolarHBondContact O-N 3.31Å; H131-L133 HydrophobicContact CB-CD2 4.25Å; L133-W135 HydrophobicContact CB-CZ2 3.83Å; L133-W135 HydrophobicContact CD1-CH2 4.06Å; L133-W135 HydrophobicContact CD1-CZ2 3.51Å; L133-W135 HydrophobicContact CG-CZ2 4.32Å; L133-W135 PolarHBondContact O-NE1 2.87Å; L133-A144 HydrophobicContact CB-CB 4.18Å; L133-A144 HydrophobicContact CD2-CB 4.47Å; L133-I146 WeakPolarHBondContact CA-O 3.45Å; L133-I147 HydrophobicContact CD2-CB 4.03Å; L133-I147 HydrophobicContact CD2-CG1 3.98Å; L133-I147 HydrophobicContact CD2-CG2 3.62Å |
| 134 | V | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.8 | 174 | -169 | 0 | 0 | 0 | 0 | 108.6 | T124 L132 A144 A145 I146 L191 | T124-V134 HydrophobicContact CG2-CG2 4.29Å; L132-V134 HydrophobicContact CD2-CG2 4.25Å; V134-A144 CarbonylContact O-C 3.57Å; V134-A145 PolarHBondContact O-N 3.13Å; V134-I146 HydrophobicContact CB-CB 3.95Å; V134-I146 HydrophobicContact CB-CD1 4.35Å; V134-I146 HydrophobicContact CB-CG1 4.32Å; V134-I146 HydrophobicContact CG2-CB 3.98Å; V134-I146 HydrophobicContact CG2-CD1 4.26Å; V134-I146 PolarHBondContact N-O 3.34Å; V134-I146 PolarHBondContact O-N 2.69Å; V134-L191 HydrophobicContact CG1-CD1 4.2Å; V134-L191 HydrophobicContact CG2-CD1 4.3Å; V134-L191 HydrophobicContact CG2-CD2 3.82Å |
| 135 | W | 94.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 150.2 | -173.9 | -52.7 | 90.8 | 0 | 0 | 0 | 110.7 | I89 F103 L122 F123 S125 L133 R142 A144 | I89-W135 HydrophobicContact CD1-CZ2 4.07Å; F103-W135 HydrophobicContact CB-CD2 4.25Å; F103-W135 HydrophobicContact CB-CE3 3.91Å; F103-W135 HydrophobicContact CB-CH2 3.86Å; F103-W135 HydrophobicContact CB-CZ2 4.18Å; F103-W135 HydrophobicContact CB-CZ3 3.72Å; F103-W135 HydrophobicContact CD1-CD2 4.15Å; F103-W135 AromaticContact CD1-CE3 3.61Å; F103-W135 HydrophobicContact CD1-CE3 3.61Å; F103-W135 HydrophobicContact CD1-CZ3 4.09Å; F103-W135 HydrophobicContact CG-CD2 4.43Å; F103-W135 HydrophobicContact CG-CE3 4.13Å; F103-W135 HydrophobicContact CG-CZ3 4.38Å; L122-W135 WeakPolarHBondContact CA-O 3.28Å; L122-W135 WeakPolarHBondContact CD2-O 3.26Å; F123-W135 HydrophobicContact CD1-CB 3.87Å; F123-W135 HydrophobicContact CD2-CB 4.1Å; F123-W135 AromaticContact CD2-CD1 3.53Å; F123-W135 HydrophobicContact CD2-CG 4.08Å; F123-W135 HydrophobicContact CE1-CB 3.43Å; F123-W135 VanDerWaalsContact CE1-CB 3.43Å; F123-W135 HydrophobicContact CE1-CG 4.11Å; F123-W135 HydrophobicContact CE2-CB 3.71Å; F123-W135 AromaticContact CE2-CD1 3.15Å; F123-W135 HydrophobicContact CE2-CD2 4.34Å; F123-W135 AromaticContact CE2-CG 3.47Å; F123-W135 HydrophobicContact CE2-CG 3.47Å; F123-W135 VanDerWaalsContact CE2-CG 3.47Å; F123-W135 AromaticContact CE2-NE1 3.82Å; F123-W135 HydrophobicContact CG-CB 4.19Å; F123-W135 HydrophobicContact CZ-CB 3.35Å; F123-W135 AromaticContact CZ-CD1 3.71Å; F123-W135 HydrophobicContact CZ-CD2 4.28Å; F123-W135 AromaticContact CZ-CG 3.49Å; F123-W135 HydrophobicContact CZ-CG 3.49Å; F123-W135 VanDerWaalsContact CZ-CG 3.49Å; F123-W135 PolarHBondContact N-O 3.37Å; F123-W135 PolarHBondContact O-N 2.92Å; S125-W135 PolarHBondContact OG-NE1 3.16Å; L133-W135 HydrophobicContact CB-CZ2 3.83Å; L133-W135 HydrophobicContact CD1-CH2 4.06Å; L133-W135 HydrophobicContact CD1-CZ2 3.51Å; L133-W135 HydrophobicContact CG-CZ2 4.32Å; L133-W135 PolarHBondContact O-NE1 2.87Å; W135-R142 VanDerWaalsContact CZ3-O 3.28Å; W135-R142 WeakPolarHBondContact CZ3-O 3.4Å; W135-A144 HydrophobicContact CD2-CB 4.2Å; W135-A144 VanDerWaalsContact CE3-CA 3.43Å; W135-A144 HydrophobicContact CE3-CB 3.87Å; W135-A144 HydrophobicContact CH2-CB 4.03Å; W135-A144 HydrophobicContact CZ2-CB 4.36Å; W135-A144 HydrophobicContact CZ3-CB 3.77Å |
| 136 | D | 93.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 114 | 172.9 | -175.3 | -14.7 | 0 | 0 | 0 | 109.3 | S121 L122 R138 R139 A145 I469 | S121-D136 CarbonylContact O-C 3.37Å; S121-D136 WeakPolarHBondContact O-CA 3.48Å; L122-D136 HydrophobicContact CD2-CB 3.61Å; D136-R138 PolarHBondContact O-N 3.43Å; D136-R138 VanDerWaalsContact OD1-CB 3.26Å; D136-R138 WeakPolarHBondContact OD1-CB 3.24Å; D136-R138 WeakPolarHBondContact OD1-CG 3.22Å; D136-R138 IonicContact OD1-CZ 2.71Å; D136-R138 PolarHBondContact OD1-N 2.75Å; D136-R138 IonicContact OD1-NE 2.78Å; D136-R138 PolarHBondContact OD1-NE 2.99Å; D136-R138 IonicContact OD1-NH2 3.31Å; D136-R138 IonicContact OD2-CZ 3.31Å; D136-R138 IonicContact OD2-NE 2.79Å; D136-R138 PolarHBondContact OD2-NE 3.01Å; D136-R138 IonicContact OD2-NH2 3.07Å; D136-R138 PolarHBondContact OD2-NH2 3.03Å; D136-R139 HydrophobicContact CB-CG 4.16Å; D136-R139 WeakPolarHBondContact O-CB 3.13Å; D136-R139 PolarHBondContact O-N 3.18Å; D136-A145 HydrophobicContact CB-CB 4.42Å; D136-I469 HydrophobicContact CB-CB 4.37Å; D136-I469 HydrophobicContact CB-CG2 3.85Å; D136-I469 WeakPolarHBondContact OD2-CB 3.36Å; D136-I469 VanDerWaalsContact OD2-CG2 3.31Å; D136-I469 WeakPolarHBondContact OD2-CG2 3.37Å; D136-I469 PolarHBondContact OD2-N 2.98Å |
| 137 | L | 92.1 | Very high | 91.3 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -16 | 179.9 | -67.3 | -179.6 | 0 | 0 | 0 | 113.9 | Y91 F103 W115 S121 F123 R142 | Y91-L137 HydrophobicContact CD1-CD2 4.29Å; Y91-L137 HydrophobicContact CE1-CD1 4.43Å; Y91-L137 HydrophobicContact CE2-CD1 4.44Å; Y91-L137 HydrophobicContact CG-CD2 4.37Å; F103-L137 HydrophobicContact CE1-CD2 4.22Å; F103-L137 HydrophobicContact CE2-CD2 4.22Å; F103-L137 HydrophobicContact CZ-CD2 3.47Å; F103-L137 VanDerWaalsContact CZ-CD2 3.47Å; W115-L137 HydrophobicContact CH2-CD1 3.64Å; W115-L137 HydrophobicContact CZ3-CD1 3.65Å; S121-L137 PolarHBondContact O-N 2.92Å; F123-L137 HydrophobicContact CD1-CD2 4.34Å; F123-L137 HydrophobicContact CD1-CG 4.37Å; F123-L137 HydrophobicContact CE1-CD2 3.68Å; F123-L137 HydrophobicContact CE1-CG 4.14Å; L137-R142 PolarHBondContact O-NH1 2.92Å |
| 138 | R | 90.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -15.5 | 177.8 | -58.2 | 165.5 | -64.7 | -179.6 | 12.6 | 112.5 | S121 D136 S140 T467 I469 | S121-R138 WeakPolarHBondContact OG-CD 3.19Å; D136-R138 PolarHBondContact O-N 3.43Å; D136-R138 VanDerWaalsContact OD1-CB 3.26Å; D136-R138 WeakPolarHBondContact OD1-CB 3.24Å; D136-R138 WeakPolarHBondContact OD1-CG 3.22Å; D136-R138 IonicContact OD1-CZ 2.71Å; D136-R138 PolarHBondContact OD1-N 2.75Å; D136-R138 IonicContact OD1-NE 2.78Å; D136-R138 PolarHBondContact OD1-NE 2.99Å; D136-R138 IonicContact OD1-NH2 3.31Å; D136-R138 IonicContact OD2-CZ 3.31Å; D136-R138 IonicContact OD2-NE 2.79Å; D136-R138 PolarHBondContact OD2-NE 3.01Å; D136-R138 IonicContact OD2-NH2 3.07Å; D136-R138 PolarHBondContact OD2-NH2 3.03Å; R138-S140 PolarHBondContact O-N 2.74Å; R138-T467 PolarHBondContact NH1-O 3.24Å; R138-T467 PolarHBondContact NH2-O 3.15Å; R138-I469 VanDerWaalsContact NH2-N 3.12Å |
| 139 | R | 89.3 | Confident | 91 | Very high | 56 Ų | 56 | 37.5 Ų | 37.5 | 21% | 0.211 | 19% | 0.19 | C | C | . | . | trans | -75.1 | 116.4 | 172.9 | -68.7 | -176.3 | 68.1 | 132 | 5 | 109.9 | D136 E141 R142 T143 | D136-R139 HydrophobicContact CB-CG 4.16Å; D136-R139 WeakPolarHBondContact O-CB 3.13Å; D136-R139 PolarHBondContact O-N 3.18Å; R139-E141 VanDerWaalsContact C-N 3.28Å; R139-E141 IonicContact CZ-OE2 3.56Å; R139-E141 IonicContact NE-OE2 3.25Å; R139-E141 IonicContact NH2-OE2 2.72Å; R139-E141 PolarHBondContact NH2-OE2 3.1Å; R139-E141 PolarHBondContact O-N 3.11Å; R139-R142 PolarHBondContact O-N 3.27Å; R139-R142 PolarHBondContact O-NH1 3.45Å; R139-T143 PolarHBondContact NH2-OG1 3.11Å | ||
| 140 | S | 82.7 | Confident | 90.7 | Very high | 108 Ų | 108 | 38.7 Ų | 38.7 | 76% | 0.755 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.2 | 177.1 | 46.1 | 0 | 0 | 0 | 0 | 112.9 | R138 R142 | R138-S140 PolarHBondContact O-N 2.74Å; S140-R142 PolarHBondContact O-N 2.97Å; S140-R142 VanDerWaalsContact O-N 3.11Å |
| 141 | E | 83.3 | Confident | 90.6 | Very high | 124 Ų | 124 | 38.8 Ų | 38.8 | 58% | 0.579 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.7 | -177.1 | -60.4 | 172.4 | 164.8 | 0 | 0 | 115.1 | R139 T143 | R139-E141 VanDerWaalsContact C-N 3.28Å; R139-E141 IonicContact CZ-OE2 3.56Å; R139-E141 IonicContact NE-OE2 3.25Å; R139-E141 IonicContact NH2-OE2 2.72Å; R139-E141 PolarHBondContact NH2-OE2 3.1Å; R139-E141 PolarHBondContact O-N 3.11Å; E141-T143 HydrophobicContact CB-CG2 3.98Å; E141-T143 WeakPolarHBondContact CB-OG1 3.36Å; E141-T143 PolarHBondContact O-N 2.89Å; E141-T143 PolarHBondContact OE2-OG1 3.44Å |
| 142 | R | 84.6 | Confident | 90.4 | Very high | 76 Ų | 76 | 38 Ų | 38 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | trans | 53.4 | 20 | -172.4 | -53.6 | -52.1 | -174 | -145.1 | 13.2 | 114.9 | S101 F103 W135 L137 R139 S140 | S101-R142 PolarHBondContact OG-NE 3.06Å; S101-R142 PolarHBondContact OG-NH2 3.41Å; F103-R142 HydrophobicContact CD1-CB 4.06Å; F103-R142 HydrophobicContact CE1-CB 4.19Å; F103-R142 HydrophobicContact CE1-CG 4.43Å; W135-R142 VanDerWaalsContact CZ3-O 3.28Å; W135-R142 WeakPolarHBondContact CZ3-O 3.4Å; L137-R142 PolarHBondContact O-NH1 2.92Å; R139-R142 PolarHBondContact O-N 3.27Å; R139-R142 PolarHBondContact O-NH1 3.45Å; S140-R142 PolarHBondContact O-N 2.97Å; S140-R142 VanDerWaalsContact O-N 3.11Å | ||
| 143 | T | 89.4 | Confident | 89.9 | Confident | 58 Ų | 58 | 39 Ų | 39 | 36% | 0.356 | 20% | 0.199 | S | C | . | . | trans | -79.1 | 152.3 | 171.6 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | R139 E141 A145 | R139-T143 PolarHBondContact NH2-OG1 3.11Å; E141-T143 HydrophobicContact CB-CG2 3.98Å; E141-T143 WeakPolarHBondContact CB-OG1 3.36Å; E141-T143 PolarHBondContact O-N 2.89Å; E141-T143 PolarHBondContact OE2-OG1 3.44Å; T143-A145 PolarHBondContact O-N 3.11Å | ||
| 144 | A | 91 | Very high | 89 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 131.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L133 V134 W135 I147 | L133-A144 HydrophobicContact CB-CB 4.18Å; L133-A144 HydrophobicContact CD2-CB 4.47Å; V134-A144 CarbonylContact O-C 3.57Å; W135-A144 HydrophobicContact CD2-CB 4.2Å; W135-A144 VanDerWaalsContact CE3-CA 3.43Å; W135-A144 HydrophobicContact CE3-CB 3.87Å; W135-A144 HydrophobicContact CH2-CB 4.03Å; W135-A144 HydrophobicContact CZ2-CB 4.36Å; W135-A144 HydrophobicContact CZ3-CB 3.77Å; A144-I147 HydrophobicContact CB-CD1 4.23Å; A144-I147 HydrophobicContact CB-CG1 3.76Å |
| 145 | A | 90.1 | Very high | 87.9 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -31.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V134 D136 T143 L196 I469 | V134-A145 PolarHBondContact O-N 3.13Å; D136-A145 HydrophobicContact CB-CB 4.42Å; T143-A145 PolarHBondContact O-N 3.11Å; A145-L196 VanDerWaalsContact O-CD2 3.23Å; A145-L196 WeakPolarHBondContact O-CD2 3.46Å; A145-I469 HydrophobicContact CB-CD1 4.2Å; A145-I469 HydrophobicContact CB-CG2 3.69Å |
| 146 | I | 91 | Very high | 86.8 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.9 | 173 | -53.4 | 173.6 | 0 | 0 | 0 | 108.2 | L133 V134 V148 L191 I194 L196 F473 | L133-I146 WeakPolarHBondContact CA-O 3.45Å; V134-I146 HydrophobicContact CB-CB 3.95Å; V134-I146 HydrophobicContact CB-CD1 4.35Å; V134-I146 HydrophobicContact CB-CG1 4.32Å; V134-I146 HydrophobicContact CG2-CB 3.98Å; V134-I146 HydrophobicContact CG2-CD1 4.26Å; V134-I146 PolarHBondContact N-O 3.34Å; V134-I146 PolarHBondContact O-N 2.69Å; I146-V148 HydrophobicContact CG2-CG2 4.36Å; I146-L191 HydrophobicContact CD1-CB 3.88Å; I146-L191 HydrophobicContact CD1-CD1 4.35Å; I146-L191 HydrophobicContact CD1-CD2 4.02Å; I146-L191 HydrophobicContact CD1-CG 4.3Å; I146-I194 HydrophobicContact CG2-CB 4.07Å; I146-I194 HydrophobicContact CG2-CD1 3.86Å; I146-I194 HydrophobicContact CG2-CG2 3.52Å; I146-L196 HydrophobicContact CB-CD2 4.5Å; I146-L196 HydrophobicContact CG1-CD2 4.14Å; I146-F473 HydrophobicContact CD1-CE2 4.03Å; I146-F473 HydrophobicContact CD1-CZ 4.45Å |
| 147 | I | 91.6 | Very high | 85.5 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 45% | 0.451 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.2 | 176.8 | -56.2 | -172.8 | 0 | 0 | 0 | 108.4 | L133 A144 Q149 | L133-I147 HydrophobicContact CD2-CB 4.03Å; L133-I147 HydrophobicContact CD2-CG1 3.98Å; L133-I147 HydrophobicContact CD2-CG2 3.62Å; A144-I147 HydrophobicContact CB-CD1 4.23Å; A144-I147 HydrophobicContact CB-CG1 3.76Å; I147-Q149 HydrophobicContact CG2-CG 3.66Å |
| 148 | V | 91.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 93.5 | 170.4 | -176 | 0 | 0 | 0 | 0 | 108 | H131 L132 I146 A151 W189 I194 C202 | H131-V148 WeakPolarHBondContact CA-O 3.42Å; L132-V148 HydrophobicContact CB-CB 4.2Å; L132-V148 HydrophobicContact CD2-CB 4.31Å; L132-V148 HydrophobicContact CD2-CG2 4.02Å; L132-V148 PolarHBondContact N-O 2.99Å; L132-V148 PolarHBondContact O-N 3.34Å; I146-V148 HydrophobicContact CG2-CG2 4.36Å; V148-A151 HydrophobicContact CB-CB 4.37Å; V148-A151 HydrophobicContact CG1-CB 3.66Å; V148-W189 HydrophobicContact CG1-CD2 4.39Å; V148-W189 HydrophobicContact CG1-CE3 3.94Å; V148-W189 HydrophobicContact CG1-CH2 3.59Å; V148-W189 HydrophobicContact CG1-CZ2 4.07Å; V148-W189 HydrophobicContact CG1-CZ3 3.52Å; V148-W189 HydrophobicContact CG2-CE3 4.36Å; V148-I194 HydrophobicContact CG2-CD1 3.66Å; V148-I194 HydrophobicContact CG2-CG2 4.43Å; V148-C202 HydrophobicContact CG1-CB 4.25Å |
| 149 | Q | 90.1 | Very high | 82.2 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 138.3 | 177.5 | -59.9 | -169.9 | -59.1 | 0 | 0 | 111.1 | I147 A151 | I147-Q149 HydrophobicContact CG2-CG 3.66Å; Q149-A151 PolarHBondContact O-N 3.21Å |
| 150 | N | 88.7 | Confident | 80.9 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 21% | 0.214 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 46.2 | 179.3 | -51.8 | -16.3 | 0 | 0 | 0 | 111.8 | G130 H131 H152 L153 T162 | G130-N150 CarbonylContact O-C 3.48Å; G130-N150 VanDerWaalsContact O-CA 3.31Å; G130-N150 WeakPolarHBondContact O-CA 3.42Å; G130-N150 PolarHBondContact O-N 2.7Å; H131-N150 PolarHBondContact CE1-OD1 3.46Å; N150-H152 PolarHBondContact O-N 2.95Å; N150-L153 HydrophobicContact CB-CB 4Å; N150-L153 HydrophobicContact CB-CD2 4.34Å; N150-L153 VanDerWaalsContact O-CB 3.23Å; N150-L153 WeakPolarHBondContact O-CB 3.4Å; N150-L153 PolarHBondContact O-N 2.72Å; N150-T162 HydrophobicContact CB-CG2 4.5Å; N150-T162 WeakPolarHBondContact OD1-CG2 3.28Å |
| 151 | A | 89.6 | Confident | 80.5 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 2% | 0.017 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -33.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G130 L132 V148 Q149 I165 R187 W189 | G130-A151 PolarHBondContact O-N 3.29Å; L132-A151 HydrophobicContact CB-CB 4.1Å; V148-A151 HydrophobicContact CB-CB 4.37Å; V148-A151 HydrophobicContact CG1-CB 3.66Å; Q149-A151 PolarHBondContact O-N 3.21Å; A151-I165 HydrophobicContact CB-CD1 3.84Å; A151-R187 WeakPolarHBondContact O-CD 3.39Å; A151-R187 PolarHBondContact O-NE 2.93Å; A151-R187 PolarHBondContact O-NH1 2.88Å; A151-W189 HydrophobicContact CB-CH2 4.17Å; A151-W189 HydrophobicContact CB-CZ2 3.7Å; A151-W189 WeakPolarHBondContact O-CH2 3.13Å; A151-W189 VanDerWaalsContact O-CZ2 3.26Å; A151-W189 WeakPolarHBondContact O-CZ2 3.44Å |
| 152 | H | 89.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 16 | 178.4 | -80.7 | -90.4 | 0 | 0 | 0 | 115.7 | N150 D154 Q163 S178 A179 G180 S184 G185 I186 R187 | N150-H152 PolarHBondContact O-N 2.95Å; H152-D154 PolarHBondContact O-N 3.26Å; H152-Q163 HydrophobicContact CB-CB 3.83Å; H152-S178 PolarHBondContact CE1-O 3.07Å; H152-S178 WeakPolarHBondContact NE2-CA 3.39Å; H152-S178 WeakPolarHBondContact NE2-CB 3.24Å; H152-S178 PolarHBondContact NE2-O 3.1Å; H152-S178 PolarHBondContact NE2-OG 3.15Å; H152-A179 PolarHBondContact NE2-N 2.78Å; H152-G180 PolarHBondContact CE1-N 3.12Å; H152-G180 VanDerWaalsContact CE1-N 3.29Å; H152-S184 PolarHBondContact ND1-OG 2.84Å; H152-G185 PolarHBondContact CE1-O 2.77Å; H152-I186 VanDerWaalsContact CE1-CA 3.44Å; H152-I186 WeakPolarHBondContact CE1-CA 3.47Å; H152-R187 VanDerWaalsContact C-CZ 3.48Å; H152-R187 VanDerWaalsContact CA-CZ 3.44Å; H152-R187 WeakPolarHBondContact CE1-CG 3.28Å; H152-R187 PolarHBondContact CE1-N 3.01Å; H152-R187 PolarHBondContact ND1-NE 2.98Å; H152-R187 PolarHBondContact O-NH2 3.04Å |
| 153 | L | 84.7 | Confident | 80.7 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | trans | -57.9 | 136.3 | 177 | -171.8 | 61.5 | 0 | 0 | 0 | 112.5 | N150 L155 G160 R187 | N150-L153 HydrophobicContact CB-CB 4Å; N150-L153 HydrophobicContact CB-CD2 4.34Å; N150-L153 VanDerWaalsContact O-CB 3.23Å; N150-L153 WeakPolarHBondContact O-CB 3.4Å; N150-L153 PolarHBondContact O-N 2.72Å; L153-L155 HydrophobicContact CD2-CD2 3.75Å; L153-L155 HydrophobicContact CG-CD2 4.22Å; L153-G160 VanDerWaalsContact CD1-O 3.26Å; L153-G160 WeakPolarHBondContact CD1-O 3.41Å; L153-R187 PolarHBondContact O-NH1 3.27Å; L153-R187 PolarHBondContact O-NH2 3.21Å | ||
| 154 | D | 76.6 | Confident | 80.8 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | trans | -104.7 | 107.6 | 168.9 | 179.7 | 6.8 | 0 | 0 | 0 | 109.8 | H152 K156 K157 | H152-D154 PolarHBondContact O-N 3.26Å; D154-K156 PolarHBondContact O-N 3.03Å; D154-K156 WeakPolarHBondContact OD1-CB 3.5Å; D154-K156 PolarHBondContact OD1-N 3.13Å; D154-K157 HydrophobicContact CB-CD 4.37Å; D154-K157 PolarHBondContact O-N 3.45Å; D154-K157 VanDerWaalsContact OD2-CD 3.32Å; D154-K157 WeakPolarHBondContact OD2-CD 3.34Å; D154-K157 VanDerWaalsContact OD2-CE 3.29Å; D154-K157 WeakPolarHBondContact OD2-CE 3.38Å; D154-K157 VanDerWaalsContact OD2-CG 3.32Å; D154-K157 WeakPolarHBondContact OD2-CG 3.31Å | ||
| 155 | L | 72.3 | Confident | 81 | Confident | 123 Ų | 123 | 67.4 Ų | 67.4 | 64% | 0.644 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -10.6 | -179.5 | -63.6 | 173.1 | 0 | 0 | 0 | 113.4 | L153 | L153-L155 HydrophobicContact CD2-CD2 3.75Å; L153-L155 HydrophobicContact CG-CD2 4.22Å |
| 156 | K | 70.6 | Confident | 81.1 | Confident | 193 Ų | 193 | 67.9 Ų | 67.9 | 84% | 0.839 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -28.2 | 176.6 | -62.2 | -178.6 | 178.4 | -179.9 | 0 | 112.4 | D154 K158 | D154-K156 PolarHBondContact O-N 3.03Å; D154-K156 WeakPolarHBondContact OD1-CB 3.5Å; D154-K156 PolarHBondContact OD1-N 3.13Å; K156-K158 PolarHBondContact O-N 2.82Å |
| 157 | K | 67.4 | Low | 81.3 | Confident | 105 Ų | 105 | 67.8 Ų | 67.8 | 46% | 0.457 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -80.2 | 111.2 | 179.6 | -73.8 | 174.2 | -173.4 | -178.6 | 0 | 109.3 | D154 N159 G160 E183 | D154-K157 HydrophobicContact CB-CD 4.37Å; D154-K157 PolarHBondContact O-N 3.45Å; D154-K157 VanDerWaalsContact OD2-CD 3.32Å; D154-K157 WeakPolarHBondContact OD2-CD 3.34Å; D154-K157 VanDerWaalsContact OD2-CE 3.29Å; D154-K157 WeakPolarHBondContact OD2-CE 3.38Å; D154-K157 VanDerWaalsContact OD2-CG 3.32Å; D154-K157 WeakPolarHBondContact OD2-CG 3.31Å; K157-N159 PolarHBondContact O-N 2.56Å; K157-G160 PolarHBondContact O-N 3.2Å; K157-E183 IonicContact NZ-OE2 3.86Å |
| 158 | K | 54.2 | Low | 81.5 | Confident | 215 Ų | 215 | 64.1 Ų | 64.1 | 94% | 0.935 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -24.5 | -177.6 | -74.1 | -173.5 | 175.5 | -178.5 | 0 | 114.9 | K156 | K156-K158 PolarHBondContact O-N 2.82Š|
| 159 | N | 58.1 | Low | 81.7 | Confident | 137 Ų | 137 | 64.7 Ų | 64.7 | 73% | 0.733 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.2 | -178.4 | -66.8 | 12.6 | 0 | 0 | 0 | 114.4 | K157 L161 | K157-N159 PolarHBondContact O-N 2.56Å; N159-L161 PolarHBondContact O-N 2.84Å |
| 160 | G | 62.4 | Low | 81.9 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | trans | 55.2 | 18.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | L153 K157 T162 | L153-G160 VanDerWaalsContact CD1-O 3.26Å; L153-G160 WeakPolarHBondContact CD1-O 3.41Å; K157-G160 PolarHBondContact O-N 3.2Å; G160-T162 PolarHBondContact O-N 2.91Å | ||
| 161 | L | 74.8 | Confident | 82 | Confident | 123 Ų | 123 | 59.1 Ų | 59.1 | 64% | 0.644 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 129.8 | -170.7 | -69.4 | 173.4 | 0 | 0 | 0 | 111.2 | N159 Q163 | N159-L161 PolarHBondContact O-N 2.84Å; L161-Q163 PolarHBondContact O-N 3.13Å; L161-Q163 PolarHBondContact O-NE2 3.25Å |
| 162 | T | 82.8 | Confident | 82 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 125.8 | 173.1 | 46.4 | 0 | 0 | 0 | 0 | 109.7 | N150 G160 | N150-T162 HydrophobicContact CB-CG2 4.5Å; N150-T162 WeakPolarHBondContact OD1-CG2 3.28Å; G160-T162 PolarHBondContact O-N 2.91Å |
| 163 | Q | 88.1 | Confident | 82 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -94.8 | 124.4 | 179.6 | -61.9 | -53.6 | -60 | 0 | 0 | 109.3 | G130 H152 L161 | G130-Q163 WeakPolarHBondContact CA-O 3.32Å; H152-Q163 HydrophobicContact CB-CB 3.83Å; L161-Q163 PolarHBondContact O-N 3.13Å; L161-Q163 PolarHBondContact O-NE2 3.25Å |
| 164 | P | 92.1 | Very high | 82.3 | Confident | 35 Ų | 35 | 65 Ų | 65 | 23% | 0.227 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 146.7 | 178.6 | 25 | -29.5 | 0 | 0 | 0 | 110.3 | R128 Y181 | R128-P164 HydrophobicContact CB-CB 4.33Å; R128-P164 HydrophobicContact CG-CB 4.28Å; P164-Y181 HydrophobicContact CG-CD1 4.46Å; P164-Y181 HydrophobicContact CG-CD2 4.5Å; P164-Y181 HydrophobicContact CG-CG 3.98Å; P164-Y181 WeakPolarHBondContact O-CB 3.42Å; P164-Y181 PolarHBondContact O-N 3.46Å |
| 165 | I | 94.7 | Very high | 83.1 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.2 | 177.6 | -45.1 | -174.7 | 0 | 0 | 0 | 108.6 | A126 G127 H131 L132 A151 A167 A179 | A126-I165 HydrophobicContact CB-CB 3.79Å; A126-I165 HydrophobicContact CB-CD1 4.07Å; A126-I165 HydrophobicContact CB-CG1 4.48Å; A126-I165 HydrophobicContact CB-CG2 3.64Å; G127-I165 PolarHBondContact O-N 3.41Å; H131-I165 WeakPolarHBondContact O-CD1 3.43Å; L132-I165 HydrophobicContact CB-CD1 3.98Å; A151-I165 HydrophobicContact CB-CD1 3.84Å; I165-A167 WeakPolarHBondContact CG2-O 3.43Å; I165-A179 VanDerWaalsContact CG2-O 3.31Å; I165-A179 WeakPolarHBondContact CG2-O 3.39Å |
| 166 | C | 93.1 | Very high | 84.2 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -33.7 | -179.7 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | A179 F224 Y269 | C166-A179 PolarHBondContact N-O 2.87Å; C166-F224 WeakPolarHBondContact CB-O 3.29Å; C166-Y269 HydrophobicContact CB-CD1 4.31Å; C166-Y269 VanDerWaalsContact SG-CD1 3.51Å |
| 167 | A | 94.4 | Very high | 85.4 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I165 S178 A179 S226 I227 | I165-A167 WeakPolarHBondContact CG2-O 3.43Å; A167-S178 CarbonylContact O-C 3.26Å; A167-S178 VanDerWaalsContact O-CA 3.29Å; A167-S178 WeakPolarHBondContact O-CA 3.49Å; A167-A179 HydrophobicContact CB-CB 3.85Å; A167-A179 PolarHBondContact N-O 2.9Å; A167-A179 VanDerWaalsContact N-O 3.08Å; A167-A179 PolarHBondContact O-N 3.1Å; A167-S226 VanDerWaalsContact CB-C 3.49Å; A167-S226 VanDerWaalsContact CB-CA 3.44Å; A167-I227 HydrophobicContact CB-CB 4.41Å; A167-I227 HydrophobicContact CB-CD1 3.96Å; A167-I227 HydrophobicContact CB-CG1 3.75Å |
| 168 | V | 96.3 | Very high | 86.7 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141.3 | 169.7 | 72.5 | 0 | 0 | 0 | 0 | 111.4 | A112 S114 T124 A126 L132 V176 L177 | A112-V168 HydrophobicContact CB-CB 4.47Å; A112-V168 HydrophobicContact CB-CG1 3.89Å; S114-V168 WeakPolarHBondContact CB-O 3.19Å; T124-V168 HydrophobicContact CG2-CG2 3.66Å; A126-V168 HydrophobicContact CB-CB 3.97Å; A126-V168 HydrophobicContact CB-CG1 4.23Å; L132-V168 HydrophobicContact CD1-CG2 3.78Å; V168-V176 HydrophobicContact CG2-CG1 3.7Å; V168-L177 CarbonylContact C-O 2.89Å; V168-L177 WeakPolarHBondContact CA-O 3.29Å; V168-L177 WeakPolarHBondContact CG2-O 3.38Å |
| 169 | F | 95.1 | Very high | 88.6 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 112.2 | 176.6 | 172 | -120.5 | 0 | 0 | 0 | 110.8 | R171 V176 L177 I227 V236 | F169-R171 HydrophobicContact CD1-CB 3.98Å; F169-R171 HydrophobicContact CE1-CB 3.49Å; F169-R171 VanDerWaalsContact CE1-CB 3.49Å; F169-R171 HydrophobicContact CE1-CG 3.84Å; F169-R171 HydrophobicContact CZ-CB 4.03Å; F169-R171 HydrophobicContact CZ-CG 4.27Å; F169-R171 PolarHBondContact O-N 3.13Å; F169-R171 VanDerWaalsContact O-N 3.1Å; F169-V176 WeakPolarHBondContact O-CA 3.49Å; F169-L177 HydrophobicContact CB-CB 4.39Å; F169-L177 HydrophobicContact CD1-CD2 4.38Å; F169-L177 PolarHBondContact N-O 2.73Å; F169-L177 PolarHBondContact O-N 3.5Å; F169-I227 HydrophobicContact CB-CB 4.03Å; F169-I227 HydrophobicContact CB-CD1 4.13Å; F169-I227 HydrophobicContact CB-CG2 3.62Å; F169-I227 HydrophobicContact CD1-CG2 4.32Å; F169-I227 HydrophobicContact CG-CG2 4.04Å; F169-V236 HydrophobicContact CD1-CG1 3.61Å; F169-V236 HydrophobicContact CE1-CG1 3.44Å; F169-V236 VanDerWaalsContact CE1-CG1 3.44Å; F169-V236 HydrophobicContact CG-CG1 4.49Å; F169-V236 HydrophobicContact CZ-CG1 4.25Å |
| 170 | H | 93.9 | Very high | 90 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -85.4 | 74.6 | 178 | -163.9 | -40.8 | 0 | 0 | 0 | 111 | S114 C116 T124 C172 V176 | S114-H170 PolarHBondContact OG-N 3.17Å; C116-H170 WeakPolarHBondContact CB-ND1 3.1Å; C116-H170 PolarHBondContact SG-CE1 3.04Å; T124-H170 PolarHBondContact OG1-CD2 3.27Å; H170-C172 PolarHBondContact CE1-O 3.24Å; H170-C172 PolarHBondContact ND1-O 3.39Å; H170-C172 PolarHBondContact O-N 2.93Å; H170-V176 HydrophobicContact CB-CG2 4.48Å | ||
| 171 | R | 92 | Very high | 91.1 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 14% | 0.14 | 15% | 0.149 | C | C | . | . | trans | -48.5 | -51.8 | -174.3 | -178.3 | -169.9 | 158.8 | -144.5 | -7.6 | 114 | F169 Y175 L177 N233 A250 | F169-R171 HydrophobicContact CD1-CB 3.98Å; F169-R171 HydrophobicContact CE1-CB 3.49Å; F169-R171 VanDerWaalsContact CE1-CB 3.49Å; F169-R171 HydrophobicContact CE1-CG 3.84Å; F169-R171 HydrophobicContact CZ-CB 4.03Å; F169-R171 HydrophobicContact CZ-CG 4.27Å; F169-R171 PolarHBondContact O-N 3.13Å; F169-R171 VanDerWaalsContact O-N 3.1Å; R171-Y175 WeakPolarHBondContact CB-O 3.43Å; R171-Y175 PolarHBondContact N-O 2.67Å; R171-Y175 VanDerWaalsContact N-O 3.17Å; R171-L177 HydrophobicContact CB-CD1 4.46Å; R171-N233 PolarHBondContact O-ND2 3.2Å; R171-N233 VanDerWaalsContact O-ND2 3.13Å; R171-A250 WeakPolarHBondContact CD-O 3.38Å; R171-A250 PolarHBondContact NE-O 2.92Å; R171-A250 PolarHBondContact NH1-O 3.14Å | ||
| 172 | C | 89.2 | Confident | 91.4 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 7% | 0.068 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -156 | 172.9 | -174.3 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | E118 H170 R174 Y175 | E118-C172 HydrophobicContact CG-CB 4.49Å; E118-C172 WeakPolarHBondContact OE1-CB 3.25Å; E118-C172 WeakPolarHBondContact OE2-CA 3.34Å; E118-C172 WeakPolarHBondContact OE2-CB 3.38Å; H170-C172 PolarHBondContact CE1-O 3.24Å; H170-C172 PolarHBondContact ND1-O 3.39Å; H170-C172 PolarHBondContact O-N 2.93Å; C172-R174 PolarHBondContact O-N 3.13Å; C172-Y175 PolarHBondContact N-O 3.25Å; C172-Y175 PolarHBondContact O-N 3.03Å; C172-Y175 PolarHBondContact SG-N 3.2Å |
| 173 | Q | 89.9 | Confident | 91.2 | Very high | 47 Ų | 47 | 26 Ų | 26 | 22% | 0.22 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -56.7 | -16.9 | -179.6 | -65.1 | -174.7 | 22.3 | 0 | 0 | 114.3 | E118 N119 | E118-Q173 HydrophobicContact CB-CG 3.91Å; E118-Q173 PolarHBondContact O-NE2 3.34Å; E118-Q173 PolarHBondContact OE2-N 3.26Å; N119-Q173 HydrophobicContact CB-CG 3.89Å |
| 174 | R | 90.6 | Very high | 90.9 | Very high | 89 Ų | 89 | 24.7 Ų | 24.7 | 34% | 0.336 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -104.4 | -35.4 | -179 | -176.1 | 175.1 | 176.9 | -173.1 | -5.4 | 114.3 | C172 D190 L191 R192 | C172-R174 PolarHBondContact O-N 3.13Å; R174-D190 WeakPolarHBondContact CG-OD1 3.35Å; R174-D190 IonicContact CZ-OD1 2.84Å; R174-D190 IonicContact CZ-OD2 3.71Å; R174-D190 VanDerWaalsContact CZ-OD2 3.31Å; R174-D190 VanDerWaalsContact NE-CG 3.34Å; R174-D190 IonicContact NE-OD1 3.49Å; R174-D190 PolarHBondContact NE-OD1 2.91Å; R174-D190 IonicContact NE-OD2 3.22Å; R174-D190 PolarHBondContact NE-OD2 2.9Å; R174-D190 VanDerWaalsContact NE-OD2 3.07Å; R174-D190 IonicContact NH2-OD2 3.88Å; R174-D190 PolarHBondContact NH2-OD2 2.86Å; R174-D190 CarbonylContact O-C 3.58Å; R174-D190 WeakPolarHBondContact O-CA 3.3Å; R174-L191 PolarHBondContact O-N 3.25Å; R174-R192 HydrophobicContact CG-CG 4.36Å |
| 175 | Y | 93.1 | Very high | 90.7 | Very high | 46 Ų | 46 | 23 Ų | 23 | 18% | 0.18 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.6 | -169.3 | -66.1 | -67.3 | 0 | 0 | 0 | 112.5 | R171 C172 V188 W189 D190 L253 | R171-Y175 WeakPolarHBondContact CB-O 3.43Å; R171-Y175 PolarHBondContact N-O 2.67Å; R171-Y175 VanDerWaalsContact N-O 3.17Å; C172-Y175 PolarHBondContact N-O 3.25Å; C172-Y175 PolarHBondContact O-N 3.03Å; C172-Y175 PolarHBondContact SG-N 3.2Å; Y175-V188 HydrophobicContact CD1-CG1 4.2Å; Y175-W189 WeakPolarHBondContact CA-O 3.45Å; Y175-D190 HydrophobicContact CD1-CB 4.15Å; Y175-D190 HydrophobicContact CE1-CB 3.8Å; Y175-L253 HydrophobicContact CD1-CD1 3.98Å; Y175-L253 HydrophobicContact CD2-CD1 4.1Å; Y175-L253 HydrophobicContact CE1-CD1 3.89Å; Y175-L253 HydrophobicContact CE2-CD1 4.01Å; Y175-L253 HydrophobicContact CG-CD1 4.08Å |
| 176 | V | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.8 | 172.2 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | T124 L132 V168 F169 H170 W189 L191 | T124-V176 HydrophobicContact CG2-CG1 4.08Å; L132-V176 HydrophobicContact CD1-CG1 3.93Å; L132-V176 HydrophobicContact CD2-CG1 4.47Å; V168-V176 HydrophobicContact CG2-CG1 3.7Å; F169-V176 WeakPolarHBondContact O-CA 3.49Å; H170-V176 HydrophobicContact CB-CG2 4.48Å; V176-W189 HydrophobicContact CB-CB 4.41Å; V176-W189 PolarHBondContact N-O 2.84Å; V176-W189 PolarHBondContact O-N 3.3Å; V176-L191 HydrophobicContact CB-CD2 4.39Å; V176-L191 HydrophobicContact CG2-CD1 3.88Å; V176-L191 HydrophobicContact CG2-CD2 3.85Å; V176-L191 HydrophobicContact CG2-CG 4.04Å |
| 177 | L | 95.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140 | 171.9 | -77.3 | 62.5 | 0 | 0 | 0 | 108.4 | V168 F169 R171 I186 R187 V188 W208 I227 V236 L253 | V168-L177 CarbonylContact C-O 2.89Å; V168-L177 WeakPolarHBondContact CA-O 3.29Å; V168-L177 WeakPolarHBondContact CG2-O 3.38Å; F169-L177 HydrophobicContact CB-CB 4.39Å; F169-L177 HydrophobicContact CD1-CD2 4.38Å; F169-L177 PolarHBondContact N-O 2.73Å; F169-L177 PolarHBondContact O-N 3.5Å; R171-L177 HydrophobicContact CB-CD1 4.46Å; L177-I186 HydrophobicContact CB-CG2 4.31Å; L177-I186 HydrophobicContact CD2-CG2 4.47Å; L177-I186 HydrophobicContact CG-CG2 4.47Å; L177-R187 WeakPolarHBondContact CA-O 3.33Å; L177-V188 HydrophobicContact CD1-CG1 4.36Å; L177-V188 HydrophobicContact CG-CG2 4.33Å; L177-W208 HydrophobicContact CD2-CH2 3.47Å; L177-W208 VanDerWaalsContact CD2-CH2 3.47Å; L177-W208 HydrophobicContact CD2-CZ2 4.32Å; L177-W208 HydrophobicContact CD2-CZ3 3.73Å; L177-W208 HydrophobicContact CG-CH2 4.34Å; L177-I227 HydrophobicContact CB-CD1 4.13Å; L177-V236 HydrophobicContact CD2-CG1 4.5Å; L177-V236 HydrophobicContact CD2-CG2 4.12Å; L177-L253 HydrophobicContact CD1-CD2 4.23Å |
| 178 | S | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.6 | 167.5 | 61 | 0 | 0 | 0 | 0 | 111.3 | H152 A167 I186 R187 W189 | H152-S178 PolarHBondContact CE1-O 3.07Å; H152-S178 WeakPolarHBondContact NE2-CA 3.39Å; H152-S178 WeakPolarHBondContact NE2-CB 3.24Å; H152-S178 PolarHBondContact NE2-O 3.1Å; H152-S178 PolarHBondContact NE2-OG 3.15Å; A167-S178 CarbonylContact O-C 3.26Å; A167-S178 VanDerWaalsContact O-CA 3.29Å; A167-S178 WeakPolarHBondContact O-CA 3.49Å; S178-I186 CarbonylContact O-C 3.56Å; S178-I186 WeakPolarHBondContact O-CA 3.25Å; S178-R187 PolarHBondContact N-O 2.87Å; S178-R187 PolarHBondContact O-N 2.85Å; S178-W189 PolarHBondContact OG-NE1 2.97Å |
| 179 | A | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109 | H152 I165 C166 A167 I186 F224 I227 | H152-A179 PolarHBondContact NE2-N 2.78Å; I165-A179 VanDerWaalsContact CG2-O 3.31Å; I165-A179 WeakPolarHBondContact CG2-O 3.39Å; C166-A179 PolarHBondContact N-O 2.87Å; A167-A179 HydrophobicContact CB-CB 3.85Å; A167-A179 PolarHBondContact N-O 2.9Å; A167-A179 VanDerWaalsContact N-O 3.08Å; A167-A179 PolarHBondContact O-N 3.1Å; A179-I186 HydrophobicContact CB-CG1 3.96Å; A179-F224 HydrophobicContact CB-CB 3.52Å; A179-F224 HydrophobicContact CB-CD2 4.24Å; A179-F224 HydrophobicContact CB-CG 4.21Å; A179-I227 HydrophobicContact CB-CD1 4.08Å; A179-I227 HydrophobicContact CB-CG1 4.23Å |
| 180 | G | 87 | Confident | 90.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 170 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H152 S184 G185 | H152-G180 PolarHBondContact CE1-N 3.12Å; H152-G180 VanDerWaalsContact CE1-N 3.29Å; G180-S184 WeakPolarHBondContact CA-OG 3.48Å; G180-G185 PolarHBondContact N-O 2.74Å |
| 181 | Y | 85.7 | Confident | 90.2 | Very high | 100 Ų | 100 | 22.8 Ų | 22.8 | 39% | 0.392 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -68.6 | 148.5 | 172.3 | -174 | -91.6 | 0 | 0 | 0 | 111.4 | P164 S184 Y269 | P164-Y181 HydrophobicContact CG-CD1 4.46Å; P164-Y181 HydrophobicContact CG-CD2 4.5Å; P164-Y181 HydrophobicContact CG-CG 3.98Å; P164-Y181 WeakPolarHBondContact O-CB 3.42Å; P164-Y181 PolarHBondContact O-N 3.46Å; Y181-S184 PolarHBondContact O-OG 2.94Å; Y181-Y269 HydrophobicContact CD2-CD1 4.06Å; Y181-Y269 HydrophobicContact CD2-CD2 4.16Å; Y181-Y269 AromaticContact CD2-CE1 3.63Å; Y181-Y269 HydrophobicContact CD2-CE1 3.63Å; Y181-Y269 AromaticContact CD2-CE2 3.76Å; Y181-Y269 HydrophobicContact CD2-CE2 3.76Å; Y181-Y269 HydrophobicContact CD2-CG 4.3Å; Y181-Y269 AromaticContact CD2-CZ 3.45Å; Y181-Y269 VanDerWaalsContact CD2-CZ 3.45Å; Y181-Y269 HydrophobicContact CE2-CD1 4.43Å; Y181-Y269 AromaticContact CE2-CD2 3.72Å; Y181-Y269 HydrophobicContact CE2-CD2 3.72Å; Y181-Y269 HydrophobicContact CE2-CE1 4.01Å; Y181-Y269 AromaticContact CE2-CE2 3.21Å; Y181-Y269 HydrophobicContact CE2-CE2 3.21Å; Y181-Y269 HydrophobicContact CE2-CG 4.3Å; Y181-Y269 AromaticContact CE2-CZ 3.37Å; Y181-Y269 HydrophobicContact CG-CE1 4.37Å; Y181-Y269 AromaticContact CZ-CE2 3.94Å |
| 182 | A | 82.1 | Confident | 89.9 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 5% | 0.05 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | 50.8 | -154.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S184 Q221 Y222 G223 Y269 | A182-S184 PolarHBondContact O-N 2.7Å; A182-Q221 HydrophobicContact CB-CB 4.15Å; A182-Y222 CarbonylContact C-O 3.59Å; A182-Y222 VanDerWaalsContact CA-O 3.28Å; A182-Y222 WeakPolarHBondContact CA-O 3.47Å; A182-Y222 VanDerWaalsContact O-O 3.09Å; A182-G223 WeakPolarHBondContact O-CA 3.12Å; A182-Y269 PolarHBondContact N-OH 2.96Å |
| 183 | E | 77.3 | Confident | 89.6 | Confident | 85 Ų | 85 | 32 Ų | 32 | 40% | 0.397 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -70.8 | 14.9 | -169.8 | -53.1 | 171.1 | 140.3 | 0 | 0 | 114.6 | K157 G185 Q221 Y222 | K157-E183 IonicContact NZ-OE2 3.86Å; E183-G185 PolarHBondContact O-N 3.37Å; E183-G185 VanDerWaalsContact O-N 3.15Å; E183-Q221 HydrophobicContact CG-CB 4.14Å; E183-Q221 HydrophobicContact CG-CG 4.08Å; E183-Y222 PolarHBondContact N-O 3.36Å |
| 184 | S | 82.7 | Confident | 89.2 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 12% | 0.119 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -71.1 | -8.7 | -173.7 | 76.7 | 0 | 0 | 0 | 0 | 114.4 | H152 G180 Y181 A182 | H152-S184 PolarHBondContact ND1-OG 2.84Å; G180-S184 WeakPolarHBondContact CA-OG 3.48Å; Y181-S184 PolarHBondContact O-OG 2.94Å; A182-S184 PolarHBondContact O-N 2.7Å |
| 185 | G | 88.4 | Confident | 88 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | trans | 79.2 | -173 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | H152 G180 E183 W208 | H152-G185 PolarHBondContact CE1-O 2.77Å; G180-G185 PolarHBondContact N-O 2.74Å; E183-G185 PolarHBondContact O-N 3.37Å; E183-G185 VanDerWaalsContact O-N 3.15Å; G185-W208 VanDerWaalsContact CA-O 3.3Å; G185-W208 WeakPolarHBondContact CA-O 3.11Å | ||
| 186 | I | 93.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.4 | 164 | -57.3 | 150.5 | 0 | 0 | 0 | 107.5 | H152 L177 S178 A179 W208 F224 V238 Y248 | H152-I186 VanDerWaalsContact CE1-CA 3.44Å; H152-I186 WeakPolarHBondContact CE1-CA 3.47Å; L177-I186 HydrophobicContact CB-CG2 4.31Å; L177-I186 HydrophobicContact CD2-CG2 4.47Å; L177-I186 HydrophobicContact CG-CG2 4.47Å; S178-I186 CarbonylContact O-C 3.56Å; S178-I186 WeakPolarHBondContact O-CA 3.25Å; A179-I186 HydrophobicContact CB-CG1 3.96Å; I186-W208 HydrophobicContact CB-CB 4.18Å; I186-W208 HydrophobicContact CB-CD2 4.36Å; I186-W208 HydrophobicContact CB-CE3 3.95Å; I186-W208 HydrophobicContact CB-CG 4.5Å; I186-W208 HydrophobicContact CD1-CE3 3.71Å; I186-W208 HydrophobicContact CD1-CZ3 4.34Å; I186-W208 HydrophobicContact CG1-CE3 4.46Å; I186-W208 HydrophobicContact CG2-CD2 4.33Å; I186-W208 HydrophobicContact CG2-CE3 3.83Å; I186-W208 HydrophobicContact CG2-CZ3 4.23Å; I186-W208 PolarHBondContact N-O 3.13Å; I186-W208 PolarHBondContact O-N 3.04Å; I186-F224 HydrophobicContact CD1-CD2 4.3Å; I186-F224 HydrophobicContact CD1-CE1 4.42Å; I186-F224 HydrophobicContact CD1-CE2 4.02Å; I186-F224 HydrophobicContact CD1-CZ 4.07Å; I186-F224 HydrophobicContact CG1-CD2 3.74Å; I186-F224 HydrophobicContact CG1-CE2 3.74Å; I186-F224 HydrophobicContact CG1-CG 4.3Å; I186-F224 HydrophobicContact CG1-CZ 4.31Å; I186-V238 HydrophobicContact CD1-CB 4.19Å; I186-V238 HydrophobicContact CD1-CG1 3.98Å; I186-V238 HydrophobicContact CD1-CG2 3.88Å; I186-V238 HydrophobicContact CG1-CG1 4.41Å; I186-Y248 HydrophobicContact CD1-CD2 4.19Å; I186-Y248 HydrophobicContact CD1-CE2 3.68Å |
| 187 | R | 93 | Very high | 84.3 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.7 | 178.5 | -67.6 | -179.6 | -173.8 | -153.1 | -1.5 | 109.8 | A151 H152 L153 L177 S178 W189 P204 V207 | A151-R187 WeakPolarHBondContact O-CD 3.39Å; A151-R187 PolarHBondContact O-NE 2.93Å; A151-R187 PolarHBondContact O-NH1 2.88Å; H152-R187 VanDerWaalsContact C-CZ 3.48Å; H152-R187 VanDerWaalsContact CA-CZ 3.44Å; H152-R187 WeakPolarHBondContact CE1-CG 3.28Å; H152-R187 PolarHBondContact CE1-N 3.01Å; H152-R187 PolarHBondContact ND1-NE 2.98Å; H152-R187 PolarHBondContact O-NH2 3.04Å; L153-R187 PolarHBondContact O-NH1 3.27Å; L153-R187 PolarHBondContact O-NH2 3.21Å; L177-R187 WeakPolarHBondContact CA-O 3.33Å; S178-R187 PolarHBondContact N-O 2.87Å; S178-R187 PolarHBondContact O-N 2.85Å; R187-W189 HydrophobicContact CB-CZ2 3.73Å; R187-W189 HydrophobicContact CG-CZ2 4.4Å; R187-W189 PolarHBondContact O-NE1 2.93Å; R187-P204 HydrophobicContact CB-CB 4.02Å; R187-P204 HydrophobicContact CB-CG 4.45Å; R187-P204 HydrophobicContact CG-CB 4.4Å; R187-P204 HydrophobicContact CG-CG 4.29Å; R187-V207 HydrophobicContact CG-CG2 4.45Å |
| 188 | V | 93.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122 | 177.8 | -173.9 | 0 | 0 | 0 | 0 | 109 | Y175 L177 P204 S205 A206 W208 L253 | Y175-V188 HydrophobicContact CD1-CG1 4.2Å; L177-V188 HydrophobicContact CD1-CG1 4.36Å; L177-V188 HydrophobicContact CG-CG2 4.33Å; V188-P204 CarbonylContact O-C 3.53Å; V188-S205 PolarHBondContact O-N 2.83Å; V188-A206 HydrophobicContact CB-CB 4.03Å; V188-A206 HydrophobicContact CG2-CB 4.03Å; V188-A206 PolarHBondContact N-O 3.13Å; V188-A206 PolarHBondContact O-N 2.88Å; V188-W208 HydrophobicContact CG2-CD2 4.24Å; V188-W208 VanDerWaalsContact CG2-CE2 3.43Å; V188-W208 HydrophobicContact CG2-CH2 4.42Å; V188-W208 HydrophobicContact CG2-CZ2 3.52Å; V188-L253 HydrophobicContact CG1-CD1 4.09Å; V188-L253 HydrophobicContact CG1-CD2 4.02Å |
| 189 | W | 93.6 | Very high | 79.9 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.7 | -178.8 | -54.6 | 93.7 | 0 | 0 | 0 | 109.6 | V148 A151 Y175 V176 S178 R187 I194 C202 P204 | V148-W189 HydrophobicContact CG1-CD2 4.39Å; V148-W189 HydrophobicContact CG1-CE3 3.94Å; V148-W189 HydrophobicContact CG1-CH2 3.59Å; V148-W189 HydrophobicContact CG1-CZ2 4.07Å; V148-W189 HydrophobicContact CG1-CZ3 3.52Å; V148-W189 HydrophobicContact CG2-CE3 4.36Å; A151-W189 HydrophobicContact CB-CH2 4.17Å; A151-W189 HydrophobicContact CB-CZ2 3.7Å; A151-W189 WeakPolarHBondContact O-CH2 3.13Å; A151-W189 VanDerWaalsContact O-CZ2 3.26Å; A151-W189 WeakPolarHBondContact O-CZ2 3.44Å; Y175-W189 WeakPolarHBondContact CA-O 3.45Å; V176-W189 HydrophobicContact CB-CB 4.41Å; V176-W189 PolarHBondContact N-O 2.84Å; V176-W189 PolarHBondContact O-N 3.3Å; S178-W189 PolarHBondContact OG-NE1 2.97Å; R187-W189 HydrophobicContact CB-CZ2 3.73Å; R187-W189 HydrophobicContact CG-CZ2 4.4Å; R187-W189 PolarHBondContact O-NE1 2.93Å; W189-I194 HydrophobicContact CB-CD1 4.4Å; W189-C202 HydrophobicContact CZ3-CB 4.34Å; W189-P204 HydrophobicContact CD2-CB 4.3Å; W189-P204 HydrophobicContact CE3-CB 4.13Å; W189-P204 HydrophobicContact CH2-CB 3.88Å; W189-P204 HydrophobicContact CH2-CG 4.28Å; W189-P204 HydrophobicContact CZ2-CB 4.05Å; W189-P204 HydrophobicContact CZ3-CB 3.92Å |
| 190 | D | 91.6 | Very high | 78.1 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.011 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 106.4 | 166.6 | -174 | -13.6 | 0 | 0 | 0 | 107.4 | R174 Y175 R192 K193 S205 | R174-D190 WeakPolarHBondContact CG-OD1 3.35Å; R174-D190 IonicContact CZ-OD1 2.84Å; R174-D190 IonicContact CZ-OD2 3.71Å; R174-D190 VanDerWaalsContact CZ-OD2 3.31Å; R174-D190 VanDerWaalsContact NE-CG 3.34Å; R174-D190 IonicContact NE-OD1 3.49Å; R174-D190 PolarHBondContact NE-OD1 2.91Å; R174-D190 IonicContact NE-OD2 3.22Å; R174-D190 PolarHBondContact NE-OD2 2.9Å; R174-D190 VanDerWaalsContact NE-OD2 3.07Å; R174-D190 IonicContact NH2-OD2 3.88Å; R174-D190 PolarHBondContact NH2-OD2 2.86Å; R174-D190 CarbonylContact O-C 3.58Å; R174-D190 WeakPolarHBondContact O-CA 3.3Å; Y175-D190 HydrophobicContact CD1-CB 4.15Å; Y175-D190 HydrophobicContact CE1-CB 3.8Å; D190-R192 PolarHBondContact O-N 3.28Å; D190-R192 VanDerWaalsContact O-N 3.08Å; D190-R192 PolarHBondContact OD1-N 3.3Å; D190-K193 HydrophobicContact CB-CB 4.26Å; D190-K193 HydrophobicContact CB-CD 3.99Å; D190-K193 HydrophobicContact CB-CG 3.99Å; D190-K193 PolarHBondContact O-N 3.29Å; D190-K193 VanDerWaalsContact OD2-CE 3.25Å; D190-K193 WeakPolarHBondContact OD2-CE 3.44Å; D190-K193 IonicContact OD2-NZ 3.94Å; D190-S205 WeakPolarHBondContact CB-OG 3.26Å |
| 191 | L | 90.3 | Very high | 77.1 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.2 | -174.3 | -61.2 | -171.1 | 0 | 0 | 0 | 112.7 | V134 I146 R174 V176 I194 F473 | V134-L191 HydrophobicContact CG1-CD1 4.2Å; V134-L191 HydrophobicContact CG2-CD1 4.3Å; V134-L191 HydrophobicContact CG2-CD2 3.82Å; I146-L191 HydrophobicContact CD1-CB 3.88Å; I146-L191 HydrophobicContact CD1-CD1 4.35Å; I146-L191 HydrophobicContact CD1-CD2 4.02Å; I146-L191 HydrophobicContact CD1-CG 4.3Å; R174-L191 PolarHBondContact O-N 3.25Å; V176-L191 HydrophobicContact CB-CD2 4.39Å; V176-L191 HydrophobicContact CG2-CD1 3.88Å; V176-L191 HydrophobicContact CG2-CD2 3.85Å; V176-L191 HydrophobicContact CG2-CG 4.04Å; L191-I194 HydrophobicContact CD2-CD1 3.85Å; L191-F473 HydrophobicContact CB-CZ 4.01Å |
| 192 | R | 86.7 | Confident | 76.6 | Confident | 110 Ų | 110 | 66.7 Ų | 66.7 | 42% | 0.415 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -23 | 175.5 | -62.2 | -179.5 | -179.7 | -161.7 | 0.2 | 113.7 | R174 D190 Y472 F473 | R174-R192 HydrophobicContact CG-CG 4.36Å; D190-R192 PolarHBondContact O-N 3.28Å; D190-R192 VanDerWaalsContact O-N 3.08Å; D190-R192 PolarHBondContact OD1-N 3.3Å; R192-Y472 PolarHBondContact NH2-OH 2.91Å; R192-F473 HydrophobicContact CG-CD1 3.99Å; R192-F473 HydrophobicContact CG-CE1 3.66Å |
| 193 | K | 83.2 | Confident | 76.6 | Confident | 130 Ų | 130 | 76.6 Ų | 76.6 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -14 | -179.8 | -65.1 | -175.8 | -169.5 | 166.5 | 0 | 113.1 | D190 R195 S205 | D190-K193 HydrophobicContact CB-CB 4.26Å; D190-K193 HydrophobicContact CB-CD 3.99Å; D190-K193 HydrophobicContact CB-CG 3.99Å; D190-K193 PolarHBondContact O-N 3.29Å; D190-K193 VanDerWaalsContact OD2-CE 3.25Å; D190-K193 WeakPolarHBondContact OD2-CE 3.44Å; D190-K193 IonicContact OD2-NZ 3.94Å; K193-R195 PolarHBondContact O-N 2.95Å; K193-R195 VanDerWaalsContact O-N 3.08Å; K193-S205 PolarHBondContact NZ-OG 2.78Å |
| 194 | I | 81.8 | Confident | 77.1 | Confident | 19 Ų | 19 | 74.1 Ų | 74.1 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | trans | -74.8 | 100.3 | -179.3 | -59.4 | 168.8 | 0 | 0 | 0 | 108.7 | I146 V148 W189 L191 L196 | I146-I194 HydrophobicContact CG2-CB 4.07Å; I146-I194 HydrophobicContact CG2-CD1 3.86Å; I146-I194 HydrophobicContact CG2-CG2 3.52Å; V148-I194 HydrophobicContact CG2-CD1 3.66Å; V148-I194 HydrophobicContact CG2-CG2 4.43Å; W189-I194 HydrophobicContact CB-CD1 4.4Å; L191-I194 HydrophobicContact CD2-CD1 3.85Å; I194-L196 PolarHBondContact O-N 2.9Å; I194-L196 VanDerWaalsContact O-N 3.14Å | ||
| 195 | R | 65.2 | Low | 77.4 | Confident | 206 Ų | 206 | 75.6 Ų | 75.6 | 78% | 0.777 | 36% | 0.356 | S | S | * | . | trans | -71.4 | 106.4 | 176.4 | -70.7 | -176.1 | 175.7 | 176.4 | -1.9 | 109.9 | K193 V197 S198 | K193-R195 PolarHBondContact O-N 2.95Å; K193-R195 VanDerWaalsContact O-N 3.08Å; R195-V197 PolarHBondContact O-N 2.96Å; R195-S198 PolarHBondContact O-N 2.72Å | ||
| 196 | L | 59.2 | Low | 77.4 | Confident | 107 Ų | 107 | 77 Ų | 77 | 56% | 0.56 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -11.8 | -177.3 | -68.1 | 168.6 | 0 | 0 | 0 | 116.7 | A145 I146 I194 | A145-L196 VanDerWaalsContact O-CD2 3.23Å; A145-L196 WeakPolarHBondContact O-CD2 3.46Å; I146-L196 HydrophobicContact CB-CD2 4.5Å; I146-L196 HydrophobicContact CG1-CD2 4.14Å; I194-L196 PolarHBondContact O-N 2.9Å; I194-L196 VanDerWaalsContact O-N 3.14Å |
| 197 | V | 51.4 | Low | 77.2 | Confident | 140 Ų | 140 | 80.4 Ų | 80.4 | 85% | 0.848 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -1.4 | -167.3 | -165.3 | 0 | 0 | 0 | 0 | 112.9 | R195 | R195-V197 PolarHBondContact O-N 2.96Š|
| 198 | S | 48.3 | Very low | 77 | Confident | 60 Ų | 60 | 79 Ų | 79 | 42% | 0.42 | 38% | 0.383 | S | S | . | . | trans | -82.6 | 124.4 | 179.5 | -162.3 | 0 | 0 | 0 | 0 | 111.8 | R195 S200 | R195-S198 PolarHBondContact O-N 2.72Å; S198-S200 PolarHBondContact O-N 3.3Å; S198-S200 PolarHBondContact OG-N 3.25Å; S198-S200 PolarHBondContact OG-OG 2.79Å | ||
| 199 | R | 49.5 | Very low | 76.6 | Confident | 260 Ų | 260 | 81.9 Ų | 81.9 | 98% | 0.981 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -68.1 | -7.6 | 168.2 | -69.2 | -176.6 | 177.5 | 175.2 | -1 | 113.4 | ||
| 200 | S | 57.1 | Low | 75.9 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -82.2 | 144.7 | 175.7 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | S198 C202 | S198-S200 PolarHBondContact O-N 3.3Å; S198-S200 PolarHBondContact OG-N 3.25Å; S198-S200 PolarHBondContact OG-OG 2.79Å; S200-C202 PolarHBondContact O-N 2.61Å |
| 201 | H | 66 | Low | 75.1 | Confident | 104 Ų | 104 | 84 Ų | 84 | 48% | 0.481 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 124.7 | 178.4 | -62.4 | -64 | 0 | 0 | 0 | 111.7 | R203 | H201-R203 PolarHBondContact O-N 3.01Š|
| 202 | C | 75.2 | Confident | 74 | Confident | 39 Ų | 39 | 87.3 Ų | 87.3 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -64 | 123.5 | 176.9 | -72.8 | 0 | 0 | 0 | 0 | 110.1 | V148 W189 S200 | V148-C202 HydrophobicContact CG1-CB 4.25Å; W189-C202 HydrophobicContact CZ3-CB 4.34Å; S200-C202 PolarHBondContact O-N 2.61Å |
| 203 | R | 82.3 | Confident | 72.8 | Confident | 214 Ų | 214 | 86.5 Ų | 86.5 | 81% | 0.808 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -85 | 135.7 | 175.2 | -65.7 | -173.5 | 178.6 | -168.5 | -0.4 | 110.1 | H201 | H201-R203 PolarHBondContact O-N 3.01Š|
| 204 | P | 87.7 | Confident | 71.7 | Confident | 32 Ų | 32 | 90.1 Ų | 90.1 | 21% | 0.208 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 155.7 | 172.5 | 29.8 | -35.3 | 0 | 0 | 0 | 110.7 | R187 V188 W189 V207 | R187-P204 HydrophobicContact CB-CB 4.02Å; R187-P204 HydrophobicContact CB-CG 4.45Å; R187-P204 HydrophobicContact CG-CB 4.4Å; R187-P204 HydrophobicContact CG-CG 4.29Å; V188-P204 CarbonylContact O-C 3.53Å; W189-P204 HydrophobicContact CD2-CB 4.3Å; W189-P204 HydrophobicContact CE3-CB 4.13Å; W189-P204 HydrophobicContact CH2-CB 3.88Å; W189-P204 HydrophobicContact CH2-CG 4.28Å; W189-P204 HydrophobicContact CZ2-CB 4.05Å; W189-P204 HydrophobicContact CZ3-CB 3.92Å; P204-V207 HydrophobicContact CB-CG2 4.45Å; P204-V207 HydrophobicContact CG-CG2 3.52Å |
| 205 | S | 87.9 | Confident | 70.5 | Confident | 48 Ų | 48 | 94.5 Ų | 94.5 | 34% | 0.336 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -73.9 | -29.8 | 175.8 | -74.4 | 0 | 0 | 0 | 0 | 113.3 | V188 D190 K193 | V188-S205 PolarHBondContact O-N 2.83Å; D190-S205 WeakPolarHBondContact CB-OG 3.26Å; K193-S205 PolarHBondContact NZ-OG 2.78Å |
| 206 | A | 88.1 | Confident | 70.3 | Confident | 31 Ų | 31 | 86.8 Ų | 86.8 | 26% | 0.256 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 151.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V188 | V188-A206 HydrophobicContact CB-CB 4.03Å; V188-A206 HydrophobicContact CG2-CB 4.03Å; V188-A206 PolarHBondContact N-O 3.13Å; V188-A206 PolarHBondContact O-N 2.88Å |
| 207 | V | 88.7 | Confident | 70 | Confident | 72 Ų | 72 | 92.6 Ų | 92.6 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.8 | 169 | -177.4 | 0 | 0 | 0 | 0 | 106.4 | R187 P204 | R187-V207 HydrophobicContact CG-CG2 4.45Å; P204-V207 HydrophobicContact CB-CG2 4.45Å; P204-V207 HydrophobicContact CG-CG2 3.52Å |
| 208 | W | 90.3 | Very high | 70.3 | Confident | 0 Ų | 0 | 95.4 Ų | 95.4 | 0% | 0 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 108.3 | 170.8 | -49 | -17.9 | 0 | 0 | 0 | 105.8 | L177 G185 I186 V188 V236 Y248 L253 P255 | L177-W208 HydrophobicContact CD2-CH2 3.47Å; L177-W208 VanDerWaalsContact CD2-CH2 3.47Å; L177-W208 HydrophobicContact CD2-CZ2 4.32Å; L177-W208 HydrophobicContact CD2-CZ3 3.73Å; L177-W208 HydrophobicContact CG-CH2 4.34Å; G185-W208 VanDerWaalsContact CA-O 3.3Å; G185-W208 WeakPolarHBondContact CA-O 3.11Å; I186-W208 HydrophobicContact CB-CB 4.18Å; I186-W208 HydrophobicContact CB-CD2 4.36Å; I186-W208 HydrophobicContact CB-CE3 3.95Å; I186-W208 HydrophobicContact CB-CG 4.5Å; I186-W208 HydrophobicContact CD1-CE3 3.71Å; I186-W208 HydrophobicContact CD1-CZ3 4.34Å; I186-W208 HydrophobicContact CG1-CE3 4.46Å; I186-W208 HydrophobicContact CG2-CD2 4.33Å; I186-W208 HydrophobicContact CG2-CE3 3.83Å; I186-W208 HydrophobicContact CG2-CZ3 4.23Å; I186-W208 PolarHBondContact N-O 3.13Å; I186-W208 PolarHBondContact O-N 3.04Å; V188-W208 HydrophobicContact CG2-CD2 4.24Å; V188-W208 VanDerWaalsContact CG2-CE2 3.43Å; V188-W208 HydrophobicContact CG2-CH2 4.42Å; V188-W208 HydrophobicContact CG2-CZ2 3.52Å; W208-V236 HydrophobicContact CH2-CG2 4.29Å; W208-V236 HydrophobicContact CZ3-CG2 4.05Å; W208-Y248 HydrophobicContact CD2-CD1 4.46Å; W208-Y248 AromaticContact CE3-CD1 3.87Å; W208-Y248 HydrophobicContact CE3-CD1 3.87Å; W208-Y248 HydrophobicContact CE3-CD2 4.11Å; W208-Y248 HydrophobicContact CE3-CE1 4.27Å; W208-Y248 HydrophobicContact CE3-CE2 4.48Å; W208-Y248 AromaticContact CE3-CG 3.78Å; W208-Y248 HydrophobicContact CE3-CG 3.78Å; W208-Y248 HydrophobicContact CZ3-CD1 4.19Å; W208-Y248 HydrophobicContact CZ3-CD2 4.07Å; W208-Y248 AromaticContact CZ3-CG 3.69Å; W208-Y248 HydrophobicContact CZ3-CG 3.69Å; W208-L253 HydrophobicContact CH2-CD2 4.45Å; W208-L253 HydrophobicContact CZ2-CB 4.1Å; W208-L253 HydrophobicContact CZ2-CD2 4Å; W208-L253 PolarHBondContact NE1-O 3.17Å; W208-P255 HydrophobicContact CB-CB 4.29Å; W208-P255 VanDerWaalsContact CD1-CA 3.41Å; W208-P255 HydrophobicContact CG-CB 4.23Å |
| 209 | P | 83.8 | Confident | 70.9 | Confident | 63 Ų | 63 | 100.8 Ų | 100.8 | 41% | 0.409 | 48% | 0.483 | S | S | . | . | trans | -65.9 | 164.7 | -179.2 | 30.5 | -34.9 | 0 | 0 | 0 | 110.1 | S211 | P209-S211 PolarHBondContact O-N 2.81Š| ||
| 210 | Y | 80.6 | Confident | 71.7 | Confident | 34 Ų | 34 | 95.1 Ų | 95.1 | 13% | 0.133 | 46% | 0.462 | C | S | . | . | trans | -66.8 | 129.3 | 161.7 | 177.4 | -118.8 | 0 | 0 | 0 | 108.9 | P212 Y222 F224 D242 Y246 | Y210-P212 HydrophobicContact CD1-CB 4.21Å; Y210-P212 HydrophobicContact CD1-CG 4.47Å; Y210-P212 HydrophobicContact CE1-CB 3.63Å; Y210-P212 HydrophobicContact CE1-CG 4.37Å; Y210-P212 WeakPolarHBondContact O-CD 3.4Å; Y210-Y222 AromaticContact CE1-CD2 3.49Å; Y210-Y222 HydrophobicContact CE1-CD2 3.49Å; Y210-Y222 VanDerWaalsContact CE1-CD2 3.49Å; Y210-Y222 HydrophobicContact CE1-CE2 4.29Å; Y210-Y222 HydrophobicContact CE1-CG 4.29Å; Y210-Y222 AromaticContact CZ-CD2 3.5Å; Y210-Y222 VanDerWaalsContact CZ-CD2 3.5Å; Y210-Y222 AromaticContact CZ-CG 3.99Å; Y210-Y222 WeakPolarHBondContact OH-CD2 3.4Å; Y210-F224 HydrophobicContact CD2-CZ 4.27Å; Y210-D242 WeakPolarHBondContact OH-CB 3.28Å; Y210-D242 PolarHBondContact OH-OD2 2.67Å; Y210-Y246 HydrophobicContact CE2-CE2 4.39Å | ||
| 211 | S | 73.3 | Confident | 72.6 | Confident | 15 Ų | 15 | 97.2 Ų | 97.2 | 11% | 0.105 | 46% | 0.463 | C | S | . | . | trans | -106.8 | 80.6 | 180 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | P209 Y246 R260 | P209-S211 PolarHBondContact O-N 2.81Å; S211-Y246 PolarHBondContact O-OH 2.91Å; S211-R260 PolarHBondContact O-NH1 2.86Å; S211-R260 PolarHBondContact O-NH2 3.4Å | ||
| 212 | P | 67.8 | Low | 73.4 | Confident | 72 Ų | 72 | 93.9 Ų | 93.9 | 47% | 0.468 | 45% | 0.446 | S | S | . | . | trans | -55.4 | 158.4 | -174.8 | 22 | -33.8 | 0 | 0 | 0 | 112.6 | Y210 | Y210-P212 HydrophobicContact CD1-CB 4.21Å; Y210-P212 HydrophobicContact CD1-CG 4.47Å; Y210-P212 HydrophobicContact CE1-CB 3.63Å; Y210-P212 HydrophobicContact CE1-CG 4.37Å; Y210-P212 WeakPolarHBondContact O-CD 3.4Å | ||
| 213 | F | 62.3 | Low | 73.9 | Confident | 93 Ų | 93 | 92 Ų | 92 | 41% | 0.408 | 43% | 0.433 | S | S | . | . | trans | -68.6 | 136.1 | 156.8 | -91.7 | -89.2 | 0 | 0 | 0 | 109.3 | T215 D216 | F213-T215 PolarHBondContact O-N 3.49Å; F213-D216 PolarHBondContact O-N 3.36Å; F213-D216 VanDerWaalsContact O-N 3.15Å | ||
| 214 | E | 60 | Low | 74.4 | Confident | 205 Ų | 205 | 81.9 Ų | 81.9 | 96% | 0.958 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -18.6 | 177.3 | -62.5 | -179.7 | 160.2 | 0 | 0 | 113.4 | ||
| 215 | T | 56.8 | Low | 74.5 | Confident | 112 Ų | 112 | 80.4 Ų | 80.4 | 69% | 0.687 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -9.3 | -177.1 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | F213 R217 | F213-T215 PolarHBondContact O-N 3.49Å; T215-R217 PolarHBondContact O-N 3.11Å |
| 216 | D | 59.3 | Low | 74.8 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | trans | -78.5 | 88.8 | 179 | -167.8 | 14.4 | 0 | 0 | 0 | 113 | F213 W218 R220 Y222 | F213-D216 PolarHBondContact O-N 3.36Å; F213-D216 VanDerWaalsContact O-N 3.15Å; D216-W218 PolarHBondContact O-N 3.15Å; D216-W218 WeakPolarHBondContact OD1-CB 3.41Å; D216-W218 PolarHBondContact OD1-N 3.46Å; D216-R220 PolarHBondContact OD2-N 3.12Å; D216-Y222 WeakPolarHBondContact OD2-CE2 3.46Å; D216-Y222 VanDerWaalsContact OD2-CZ 3.28Å; D216-Y222 PolarHBondContact OD2-OH 2.76Å | ||
| 217 | R | 52.7 | Low | 75.1 | Confident | 229 Ų | 229 | 78 Ų | 78 | 86% | 0.864 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -14.6 | 173.7 | -58.3 | -176.2 | -173.2 | -174.7 | 1.5 | 113.8 | T215 | T215-R217 PolarHBondContact O-N 3.11Š|
| 218 | W | 58.4 | Low | 75.3 | Confident | 200 Ų | 200 | 75.5 Ų | 75.5 | 76% | 0.758 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 1.7 | -166.6 | -58.7 | 100.1 | 0 | 0 | 0 | 114.7 | D216 R220 | D216-W218 PolarHBondContact O-N 3.15Å; D216-W218 WeakPolarHBondContact OD1-CB 3.41Å; D216-W218 PolarHBondContact OD1-N 3.46Å; W218-R220 HydrophobicContact CB-CG 4.08Å; W218-R220 PolarHBondContact O-N 3.03Å; W218-R220 VanDerWaalsContact O-N 3.12Å |
| 219 | Q | 61.3 | Low | 75.5 | Confident | 173 Ų | 173 | 76.4 Ų | 76.4 | 81% | 0.808 | 36% | 0.357 | S | S | * | . | trans | 47.6 | 41.8 | 178.5 | -61.4 | -174.4 | -13.3 | 0 | 0 | 112.8 | ||||
| 220 | R | 66.3 | Low | 75.9 | Confident | 141 Ų | 141 | 73.7 Ų | 73.7 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | trans | -72.9 | 134.9 | -178.6 | -72.2 | 179 | 173.8 | -158.5 | -1.6 | 109.8 | D216 W218 Y222 | D216-R220 PolarHBondContact OD2-N 3.12Å; W218-R220 HydrophobicContact CB-CG 4.08Å; W218-R220 PolarHBondContact O-N 3.03Å; W218-R220 VanDerWaalsContact O-N 3.12Å; R220-Y222 HydrophobicContact CB-CD2 4.4Å; R220-Y222 HydrophobicContact CB-CE1 4.03Å; R220-Y222 HydrophobicContact CB-CE2 3.76Å; R220-Y222 WeakPolarHBondContact O-CD2 3.44Å; R220-Y222 VanDerWaalsContact O-CE2 3.31Å; R220-Y222 WeakPolarHBondContact O-CE2 3.05Å; R220-Y222 PolarHBondContact O-N 3.17Å | ||
| 221 | Q | 74.9 | Confident | 76.2 | Confident | 122 Ų | 122 | 75.1 Ų | 75.1 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | trans | -76.9 | 88.5 | 175.7 | -66.4 | -174.9 | 2.6 | 0 | 0 | 110.2 | A182 E183 | A182-Q221 HydrophobicContact CB-CB 4.15Å; E183-Q221 HydrophobicContact CG-CB 4.14Å; E183-Q221 HydrophobicContact CG-CG 4.08Å | ||
| 222 | Y | 83.7 | Confident | 77 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 13% | 0.129 | 38% | 0.377 | C | S | . | . | trans | -78.5 | 151.1 | 170.4 | -51.4 | -77.9 | 0 | 0 | 0 | 110.9 | A182 E183 Y210 D216 R220 T241 D242 | A182-Y222 CarbonylContact C-O 3.59Å; A182-Y222 VanDerWaalsContact CA-O 3.28Å; A182-Y222 WeakPolarHBondContact CA-O 3.47Å; A182-Y222 VanDerWaalsContact O-O 3.09Å; E183-Y222 PolarHBondContact N-O 3.36Å; Y210-Y222 AromaticContact CE1-CD2 3.49Å; Y210-Y222 HydrophobicContact CE1-CD2 3.49Å; Y210-Y222 VanDerWaalsContact CE1-CD2 3.49Å; Y210-Y222 HydrophobicContact CE1-CE2 4.29Å; Y210-Y222 HydrophobicContact CE1-CG 4.29Å; Y210-Y222 AromaticContact CZ-CD2 3.5Å; Y210-Y222 VanDerWaalsContact CZ-CD2 3.5Å; Y210-Y222 AromaticContact CZ-CG 3.99Å; Y210-Y222 WeakPolarHBondContact OH-CD2 3.4Å; D216-Y222 WeakPolarHBondContact OD2-CE2 3.46Å; D216-Y222 VanDerWaalsContact OD2-CZ 3.28Å; D216-Y222 PolarHBondContact OD2-OH 2.76Å; R220-Y222 HydrophobicContact CB-CD2 4.4Å; R220-Y222 HydrophobicContact CB-CE1 4.03Å; R220-Y222 HydrophobicContact CB-CE2 3.76Å; R220-Y222 WeakPolarHBondContact O-CD2 3.44Å; R220-Y222 VanDerWaalsContact O-CE2 3.31Å; R220-Y222 WeakPolarHBondContact O-CE2 3.05Å; R220-Y222 PolarHBondContact O-N 3.17Å; Y222-T241 WeakPolarHBondContact CA-OG1 3.4Å; Y222-T241 WeakPolarHBondContact CD1-O 3.41Å; Y222-D242 HydrophobicContact CD1-CB 3.63Å; Y222-D242 HydrophobicContact CD2-CB 4.33Å; Y222-D242 HydrophobicContact CE1-CB 3.82Å; Y222-D242 HydrophobicContact CE2-CB 4.49Å; Y222-D242 HydrophobicContact CG-CB 3.89Å | ||
| 223 | G | 86.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -138.1 | 167.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A182 C240 T241 Y269 | A182-G223 WeakPolarHBondContact O-CA 3.12Å; G223-C240 WeakPolarHBondContact O-CA 3.48Å; G223-C240 PolarHBondContact O-SG 3.21Å; G223-T241 PolarHBondContact N-OG1 3.1Å; G223-T241 PolarHBondContact O-N 2.83Å; G223-T241 PolarHBondContact O-OG1 2.82Å; G223-Y269 PolarHBondContact N-OH 3.42Å | ||
| 224 | F | 91.7 | Very high | 79.3 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.009 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -92.9 | 135.9 | -179.4 | -64.5 | -65.3 | 0 | 0 | 0 | 110.4 | C166 A179 I186 Y210 V238 P239 C240 Y246 | C166-F224 WeakPolarHBondContact CB-O 3.29Å; A179-F224 HydrophobicContact CB-CB 3.52Å; A179-F224 HydrophobicContact CB-CD2 4.24Å; A179-F224 HydrophobicContact CB-CG 4.21Å; I186-F224 HydrophobicContact CD1-CD2 4.3Å; I186-F224 HydrophobicContact CD1-CE1 4.42Å; I186-F224 HydrophobicContact CD1-CE2 4.02Å; I186-F224 HydrophobicContact CD1-CZ 4.07Å; I186-F224 HydrophobicContact CG1-CD2 3.74Å; I186-F224 HydrophobicContact CG1-CE2 3.74Å; I186-F224 HydrophobicContact CG1-CG 4.3Å; I186-F224 HydrophobicContact CG1-CZ 4.31Å; Y210-F224 HydrophobicContact CD2-CZ 4.27Å; F224-V238 HydrophobicContact CB-CG1 3.75Å; F224-V238 HydrophobicContact CD1-CB 4.27Å; F224-V238 HydrophobicContact CD1-CG1 3.38Å; F224-V238 HydrophobicContact CE1-CG1 4.09Å; F224-V238 HydrophobicContact CG-CG1 3.68Å; F224-P239 WeakPolarHBondContact CA-O 3.26Å; F224-C240 HydrophobicContact CD1-CB 3.76Å; F224-C240 HydrophobicContact CE1-CB 3.9Å; F224-Y246 HydrophobicContact CE1-CD2 4.2Å |
| 225 | T | 90.8 | Very high | 80.9 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | trans | -91.2 | -43.9 | -170 | 74.7 | 0 | 0 | 0 | 0 | 112.2 | P239 T241 I266 T268 Y269 V271 | T225-P239 PolarHBondContact N-O 3.07Å; T225-P239 WeakPolarHBondContact OG1-CG 3.09Å; T225-T241 HydrophobicContact CG2-CG2 3.84Å; T225-I266 HydrophobicContact CG2-CG2 3.9Å; T225-T268 WeakPolarHBondContact CG2-O 3.32Å; T225-Y269 HydrophobicContact CG2-CD1 4.4Å; T225-V271 PolarHBondContact OG1-O 3.41Å | ||
| 226 | S | 93.2 | Very high | 82.7 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | trans | -153.1 | 177.3 | -178.8 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | A167 V238 P239 V271 P273 | A167-S226 VanDerWaalsContact CB-C 3.49Å; A167-S226 VanDerWaalsContact CB-CA 3.44Å; S226-V238 WeakPolarHBondContact O-CG1 3.45Å; S226-P239 WeakPolarHBondContact O-CD 3.26Å; S226-P239 WeakPolarHBondContact OG-CG 3.49Å; S226-V271 WeakPolarHBondContact CB-O 3.34Å; S226-V271 PolarHBondContact OG-O 3.29Å; S226-P273 WeakPolarHBondContact OG-CD 3.49Å | ||
| 227 | I | 94.6 | Very high | 84.4 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | trans | -133.2 | 129.3 | 170.5 | -60.7 | 161.4 | 0 | 0 | 0 | 107.5 | A167 F169 L177 A179 V236 V238 | A167-I227 HydrophobicContact CB-CB 4.41Å; A167-I227 HydrophobicContact CB-CD1 3.96Å; A167-I227 HydrophobicContact CB-CG1 3.75Å; F169-I227 HydrophobicContact CB-CB 4.03Å; F169-I227 HydrophobicContact CB-CD1 4.13Å; F169-I227 HydrophobicContact CB-CG2 3.62Å; F169-I227 HydrophobicContact CD1-CG2 4.32Å; F169-I227 HydrophobicContact CG-CG2 4.04Å; L177-I227 HydrophobicContact CB-CD1 4.13Å; A179-I227 HydrophobicContact CB-CD1 4.08Å; A179-I227 HydrophobicContact CB-CG1 4.23Å; I227-V236 HydrophobicContact CG2-CB 4.08Å; I227-V236 HydrophobicContact CG2-CG1 4.08Å; I227-V238 HydrophobicContact CG1-CG1 4.27Å; I227-V238 HydrophobicContact CG1-CG2 4.23Å; I227-V238 HydrophobicContact CG2-CG2 4.41Å | ||
| 228 | S | 93.6 | Very high | 86.4 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 156.6 | 165.3 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | V236 F237 P273 | S228-V236 CarbonylContact O-C 3.58Å; S228-V236 VanDerWaalsContact O-CA 3.26Å; S228-V236 WeakPolarHBondContact O-CA 3.31Å; S228-F237 PolarHBondContact N-O 2.95Å; S228-F237 PolarHBondContact O-N 3.31Å; S228-P273 WeakPolarHBondContact CB-O 3.42Å; S228-P273 PolarHBondContact OG-O 2.77Å |
| 229 | S | 93.7 | Very high | 88 | Confident | 20 Ų | 20 | 41 Ų | 41 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 155 | 176.7 | 84.8 | 0 | 0 | 0 | 0 | 110.3 | K117 N233 F235 V275 | K117-S229 PolarHBondContact NZ-OG 3.11Å; S229-N233 PolarHBondContact OG-OD1 3.04Å; S229-F235 WeakPolarHBondContact CA-O 3.31Å; S229-V275 WeakPolarHBondContact O-CG2 3.38Å |
| 230 | D | 92.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | trans | -66.4 | 166.1 | 161.1 | 84.6 | -69.2 | 0 | 0 | 0 | 110.8 | T232 N233 K234 F235 F237 V275 | D230-T232 PolarHBondContact O-N 3.39Å; D230-T232 WeakPolarHBondContact OD2-CA 3.43Å; D230-T232 VanDerWaalsContact OD2-CB 3.29Å; D230-T232 WeakPolarHBondContact OD2-CB 3.38Å; D230-T232 PolarHBondContact OD2-N 2.78Å; D230-T232 PolarHBondContact OD2-OG1 3.36Å; D230-N233 PolarHBondContact O-N 3.19Å; D230-N233 PolarHBondContact OD1-N 3.04Å; D230-K234 WeakPolarHBondContact OD1-CA 3.46Å; D230-K234 PolarHBondContact OD1-N 3.11Å; D230-F235 PolarHBondContact N-O 2.56Å; D230-F235 VanDerWaalsContact N-O 3.1Å; D230-F235 PolarHBondContact OD1-N 3.14Å; D230-F237 HydrophobicContact CB-CE2 4.21Å; D230-V275 HydrophobicContact CB-CG1 4.31Å | ||
| 231 | P | 88 | Confident | 90.6 | Very high | 65 Ų | 65 | 26.8 Ų | 26.8 | 42% | 0.422 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.4 | 179.5 | -26.3 | 37.3 | 0 | 0 | 0 | 114.2 | P277 | P231-P277 WeakPolarHBondContact CG-O 3.45Š|
| 232 | T | 88.5 | Confident | 91.2 | Very high | 101 Ų | 101 | 22.8 Ų | 22.8 | 62% | 0.62 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 0.4 | -178.9 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | D230 K234 | D230-T232 PolarHBondContact O-N 3.39Å; D230-T232 WeakPolarHBondContact OD2-CA 3.43Å; D230-T232 VanDerWaalsContact OD2-CB 3.29Å; D230-T232 WeakPolarHBondContact OD2-CB 3.38Å; D230-T232 PolarHBondContact OD2-N 2.78Å; D230-T232 PolarHBondContact OD2-OG1 3.36Å; T232-K234 PolarHBondContact O-N 3.45Å; T232-K234 VanDerWaalsContact OG1-CB 3.26Å; T232-K234 WeakPolarHBondContact OG1-CB 3.31Å |
| 233 | N | 88.5 | Confident | 91.5 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 12% | 0.123 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 52.7 | 30.1 | -173.1 | -66 | -8.6 | 0 | 0 | 0 | 113.3 | K117 R171 S229 D230 A250 | K117-N233 PolarHBondContact NZ-OD1 2.77Å; R171-N233 PolarHBondContact O-ND2 3.2Å; R171-N233 VanDerWaalsContact O-ND2 3.13Å; S229-N233 PolarHBondContact OG-OD1 3.04Å; D230-N233 PolarHBondContact O-N 3.19Å; D230-N233 PolarHBondContact OD1-N 3.04Å; N233-A250 WeakPolarHBondContact O-CB 3.22Å |
| 234 | K | 90 | Very high | 91.8 | Very high | 98 Ų | 98 | 22 Ų | 22 | 43% | 0.426 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -85.1 | -37.9 | 176.9 | 178.8 | -178 | 176.7 | -170.7 | 0 | 112 | D230 T232 A250 L251 | D230-K234 WeakPolarHBondContact OD1-CA 3.46Å; D230-K234 PolarHBondContact OD1-N 3.11Å; T232-K234 PolarHBondContact O-N 3.45Å; T232-K234 VanDerWaalsContact OG1-CB 3.26Å; T232-K234 WeakPolarHBondContact OG1-CB 3.31Å; K234-A250 WeakPolarHBondContact O-CB 3.31Å; K234-A250 PolarHBondContact O-N 2.85Å; K234-L251 HydrophobicContact CB-CD1 4.39Å; K234-L251 HydrophobicContact CG-CD1 4.03Å; K234-L251 HydrophobicContact CG-CG 4.4Å |
| 235 | F | 93.7 | Very high | 91.9 | Very high | 29 Ų | 29 | 22 Ų | 22 | 13% | 0.127 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.9 | -177.7 | -58.1 | -60 | 0 | 0 | 0 | 110.5 | S229 D230 F237 Q247 Y248 I258 Y296 | S229-F235 WeakPolarHBondContact CA-O 3.31Å; D230-F235 PolarHBondContact N-O 2.56Å; D230-F235 VanDerWaalsContact N-O 3.1Å; D230-F235 PolarHBondContact OD1-N 3.14Å; F235-F237 HydrophobicContact CB-CE2 4.13Å; F235-F237 HydrophobicContact CB-CZ 4.11Å; F235-Q247 HydrophobicContact CB-CG 4.3Å; F235-Q247 HydrophobicContact CD1-CG 4.29Å; F235-Q247 HydrophobicContact CG-CG 4.43Å; F235-Y248 WeakPolarHBondContact CA-O 3.47Å; F235-I258 HydrophobicContact CD1-CD1 3.78Å; F235-I258 HydrophobicContact CE1-CD1 3.57Å; F235-Y296 HydrophobicContact CD2-CE2 4.39Å |
| 236 | V | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.4 | 164 | -73.2 | 0 | 0 | 0 | 0 | 109.7 | F169 L177 W208 I227 S228 Q247 Y248 A250 | F169-V236 HydrophobicContact CD1-CG1 3.61Å; F169-V236 HydrophobicContact CE1-CG1 3.44Å; F169-V236 VanDerWaalsContact CE1-CG1 3.44Å; F169-V236 HydrophobicContact CG-CG1 4.49Å; F169-V236 HydrophobicContact CZ-CG1 4.25Å; L177-V236 HydrophobicContact CD2-CG1 4.5Å; L177-V236 HydrophobicContact CD2-CG2 4.12Å; W208-V236 HydrophobicContact CH2-CG2 4.29Å; W208-V236 HydrophobicContact CZ3-CG2 4.05Å; I227-V236 HydrophobicContact CG2-CB 4.08Å; I227-V236 HydrophobicContact CG2-CG1 4.08Å; S228-V236 CarbonylContact O-C 3.58Å; S228-V236 VanDerWaalsContact O-CA 3.26Å; S228-V236 WeakPolarHBondContact O-CA 3.31Å; V236-Q247 WeakPolarHBondContact O-CA 3.23Å; V236-Y248 PolarHBondContact N-O 3.37Å; V236-Y248 VanDerWaalsContact N-O 3.14Å; V236-Y248 PolarHBondContact O-N 3.11Å; V236-A250 HydrophobicContact CG1-CB 4.06Å |
| 237 | F | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.4 | 177.9 | -56.7 | -85.2 | 0 | 0 | 0 | 107.7 | S228 D230 F235 I245 Y246 Q247 F261 V275 L282 Y296 | S228-F237 PolarHBondContact N-O 2.95Å; S228-F237 PolarHBondContact O-N 3.31Å; D230-F237 HydrophobicContact CB-CE2 4.21Å; F235-F237 HydrophobicContact CB-CE2 4.13Å; F235-F237 HydrophobicContact CB-CZ 4.11Å; F237-I245 HydrophobicContact CB-CG2 4.06Å; F237-Y246 CarbonylContact C-O 3.42Å; F237-Y246 WeakPolarHBondContact CA-O 3.1Å; F237-Q247 HydrophobicContact CD1-CB 4.14Å; F237-Q247 HydrophobicContact CD1-CG 4.11Å; F237-Q247 HydrophobicContact CE1-CB 4.14Å; F237-Q247 HydrophobicContact CE1-CG 3.72Å; F237-Q247 HydrophobicContact CZ-CG 4.36Å; F237-F261 HydrophobicContact CD1-CD2 4.46Å; F237-F261 AromaticContact CD1-CE2 3.94Å; F237-F261 HydrophobicContact CD1-CE2 3.94Å; F237-F261 AromaticContact CE1-CE2 3.81Å; F237-F261 HydrophobicContact CE1-CE2 3.81Å; F237-F261 HydrophobicContact CE1-CZ 4.41Å; F237-V275 HydrophobicContact CD2-CG2 3.44Å; F237-V275 VanDerWaalsContact CD2-CG2 3.44Å; F237-V275 HydrophobicContact CE2-CG2 3.52Å; F237-V275 HydrophobicContact CG-CG2 4.46Å; F237-L282 HydrophobicContact CB-CD1 4.03Å; F237-L282 HydrophobicContact CB-CD2 4.47Å; F237-L282 HydrophobicContact CD1-CD1 4.28Å; F237-L282 HydrophobicContact CD1-CD2 3.81Å; F237-L282 HydrophobicContact CD2-CD1 4.23Å; F237-L282 HydrophobicContact CE1-CD2 4.34Å; F237-L282 HydrophobicContact CG-CD1 3.91Å; F237-L282 HydrophobicContact CG-CD2 4.24Å; F237-Y296 HydrophobicContact CE1-CD1 4.32Å; F237-Y296 HydrophobicContact CE1-CD2 4.37Å; F237-Y296 AromaticContact CE1-CG 3.93Å; F237-Y296 HydrophobicContact CE1-CG 3.93Å; F237-Y296 HydrophobicContact CE2-CD1 4.46Å; F237-Y296 AromaticContact CZ-CD1 3.76Å; F237-Y296 HydrophobicContact CZ-CD1 3.76Å; F237-Y296 AromaticContact CZ-CD2 3.83Å; F237-Y296 HydrophobicContact CZ-CD2 3.83Å; F237-Y296 HydrophobicContact CZ-CE1 4.13Å; F237-Y296 HydrophobicContact CZ-CE2 4.22Å; F237-Y296 AromaticContact CZ-CG 3.6Å; F237-Y296 HydrophobicContact CZ-CG 3.6Å |
| 238 | V | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 100.5 | -173.8 | -165 | 0 | 0 | 0 | 0 | 108.8 | I186 F224 S226 I227 Y246 Y248 | I186-V238 HydrophobicContact CD1-CB 4.19Å; I186-V238 HydrophobicContact CD1-CG1 3.98Å; I186-V238 HydrophobicContact CD1-CG2 3.88Å; I186-V238 HydrophobicContact CG1-CG1 4.41Å; F224-V238 HydrophobicContact CB-CG1 3.75Å; F224-V238 HydrophobicContact CD1-CB 4.27Å; F224-V238 HydrophobicContact CD1-CG1 3.38Å; F224-V238 HydrophobicContact CE1-CG1 4.09Å; F224-V238 HydrophobicContact CG-CG1 3.68Å; S226-V238 WeakPolarHBondContact O-CG1 3.45Å; I227-V238 HydrophobicContact CG1-CG1 4.27Å; I227-V238 HydrophobicContact CG1-CG2 4.23Å; I227-V238 HydrophobicContact CG2-CG2 4.41Å; V238-Y246 PolarHBondContact N-O 2.91Å; V238-Y246 PolarHBondContact O-N 3.49Å; V238-Y248 HydrophobicContact CB-CE2 4.37Å; V238-Y248 HydrophobicContact CG2-CD2 4.03Å; V238-Y248 HydrophobicContact CG2-CE2 4.23Å |
| 239 | P | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 140.4 | 170.5 | 28.2 | -39.1 | 0 | 0 | 0 | 111.2 | F224 T225 S226 I245 I266 P273 | F224-P239 WeakPolarHBondContact CA-O 3.26Å; T225-P239 PolarHBondContact N-O 3.07Å; T225-P239 WeakPolarHBondContact OG1-CG 3.09Å; S226-P239 WeakPolarHBondContact O-CD 3.26Å; S226-P239 WeakPolarHBondContact OG-CG 3.49Å; P239-I245 HydrophobicContact CB-CG1 4.4Å; P239-I266 HydrophobicContact CB-CD1 3.81Å; P239-P273 HydrophobicContact CB-CG 4.21Å; P239-P273 HydrophobicContact CG-CG 3.65Å |
| 240 | C | 91.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 154.2 | 175.3 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | G223 F224 D242 G243 T244 Y246 I266 | G223-C240 WeakPolarHBondContact O-CA 3.48Å; G223-C240 PolarHBondContact O-SG 3.21Å; F224-C240 HydrophobicContact CD1-CB 3.76Å; F224-C240 HydrophobicContact CE1-CB 3.9Å; C240-D242 VanDerWaalsContact CB-OD1 3.26Å; C240-D242 WeakPolarHBondContact CB-OD1 3.24Å; C240-D242 PolarHBondContact O-N 3.14Å; C240-G243 PolarHBondContact O-N 3.01Å; C240-G243 VanDerWaalsContact O-N 3.17Å; C240-T244 PolarHBondContact N-O 3.24Å; C240-Y246 HydrophobicContact CB-CD2 4.02Å; C240-Y246 HydrophobicContact CB-CE2 3.79Å; C240-I266 WeakPolarHBondContact O-CB 3.35Å; C240-I266 WeakPolarHBondContact O-CG2 3.35Å |
| 241 | T | 90.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 8.3 | 179.5 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | Y222 G223 T225 G243 I266 Y269 | Y222-T241 WeakPolarHBondContact CA-OG1 3.4Å; Y222-T241 WeakPolarHBondContact CD1-O 3.41Å; G223-T241 PolarHBondContact N-OG1 3.1Å; G223-T241 PolarHBondContact O-N 2.83Å; G223-T241 PolarHBondContact O-OG1 2.82Å; T225-T241 HydrophobicContact CG2-CG2 3.84Å; T241-G243 VanDerWaalsContact C-N 3.35Å; T241-I266 CarbonylContact C-O 3.45Å; T241-I266 VanDerWaalsContact CA-O 3.26Å; T241-I266 WeakPolarHBondContact CA-O 3.18Å; T241-Y269 HydrophobicContact CG2-CD1 4.39Å; T241-Y269 HydrophobicContact CG2-CD2 4.3Å; T241-Y269 HydrophobicContact CG2-CE1 4.1Å; T241-Y269 HydrophobicContact CG2-CE2 3.98Å |
| 242 | D | 88.1 | Confident | 91.4 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 21% | 0.209 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -9.5 | 167.6 | 74.8 | -25.7 | 0 | 0 | 0 | 112.7 | Y210 Y222 C240 T244 Y246 | Y210-D242 WeakPolarHBondContact OH-CB 3.28Å; Y210-D242 PolarHBondContact OH-OD2 2.67Å; Y222-D242 HydrophobicContact CD1-CB 3.63Å; Y222-D242 HydrophobicContact CD2-CB 4.33Å; Y222-D242 HydrophobicContact CE1-CB 3.82Å; Y222-D242 HydrophobicContact CE2-CB 4.49Å; Y222-D242 HydrophobicContact CG-CB 3.89Å; C240-D242 VanDerWaalsContact CB-OD1 3.26Å; C240-D242 WeakPolarHBondContact CB-OD1 3.24Å; C240-D242 PolarHBondContact O-N 3.14Å; D242-T244 WeakPolarHBondContact OD1-CA 3.38Å; D242-T244 VanDerWaalsContact OD1-CB 3.27Å; D242-T244 WeakPolarHBondContact OD1-CB 3.49Å; D242-T244 PolarHBondContact OD1-N 3.01Å; D242-T244 PolarHBondContact OD1-OG1 2.87Å; D242-T244 VanDerWaalsContact OD2-CB 3.3Å; D242-T244 WeakPolarHBondContact OD2-CB 3.35Å; D242-T244 PolarHBondContact OD2-OG1 3.37Å; D242-Y246 PolarHBondContact OD2-OH 2.88Å; D242-Y246 VanDerWaalsContact OD2-OH 3.08Å |
| 243 | G | 89.3 | Confident | 91.2 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 12% | 0.124 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 92.9 | 3.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C240 T241 A264 | C240-G243 PolarHBondContact O-N 3.01Å; C240-G243 VanDerWaalsContact O-N 3.17Å; T241-G243 VanDerWaalsContact C-N 3.35Å; G243-A264 WeakPolarHBondContact CA-O 3.48Å |
| 244 | T | 91.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -101.7 | 141 | 179.9 | -48.8 | 0 | 0 | 0 | 0 | 110.9 | C240 D242 Y246 R260 F261 V262 | C240-T244 PolarHBondContact N-O 3.24Å; D242-T244 WeakPolarHBondContact OD1-CA 3.38Å; D242-T244 VanDerWaalsContact OD1-CB 3.27Å; D242-T244 WeakPolarHBondContact OD1-CB 3.49Å; D242-T244 PolarHBondContact OD1-N 3.01Å; D242-T244 PolarHBondContact OD1-OG1 2.87Å; D242-T244 VanDerWaalsContact OD2-CB 3.3Å; D242-T244 WeakPolarHBondContact OD2-CB 3.35Å; D242-T244 PolarHBondContact OD2-OG1 3.37Å; T244-Y246 HydrophobicContact CG2-CD2 4.04Å; T244-Y246 HydrophobicContact CG2-CE1 4.36Å; T244-Y246 HydrophobicContact CG2-CE2 3.79Å; T244-Y246 HydrophobicContact CG2-CG 4.41Å; T244-R260 HydrophobicContact CG2-CB 3.75Å; T244-R260 HydrophobicContact CG2-CG 4.24Å; T244-F261 WeakPolarHBondContact CA-O 3.46Å; T244-V262 HydrophobicContact CG2-CG1 4.48Å |
| 245 | I | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116 | 164.9 | -45.8 | 171.3 | 0 | 0 | 0 | 108.3 | F237 P239 F261 I266 L282 C284 W294 | F237-I245 HydrophobicContact CB-CG2 4.06Å; P239-I245 HydrophobicContact CB-CG1 4.4Å; I245-F261 HydrophobicContact CB-CB 4.22Å; I245-F261 HydrophobicContact CB-CD2 4.42Å; I245-F261 PolarHBondContact N-O 3.04Å; I245-F261 WeakPolarHBondContact O-CD2 3.41Å; I245-F261 PolarHBondContact O-N 2.9Å; I245-I266 HydrophobicContact CG1-CD1 4.03Å; I245-L282 HydrophobicContact CD1-CD2 4.09Å; I245-L282 HydrophobicContact CG2-CD2 4.14Å; I245-C284 HydrophobicContact CD1-CB 3.54Å; I245-W294 HydrophobicContact CD1-CE3 4.48Å; I245-W294 HydrophobicContact CD1-CH2 3.91Å; I245-W294 HydrophobicContact CD1-CZ3 3.9Å |
| 246 | Y | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 135.2 | -178 | -69 | -94.8 | 0 | 0 | 0 | 111.1 | Y210 S211 F224 F237 V238 C240 D242 T244 Y248 P257 R260 | Y210-Y246 HydrophobicContact CE2-CE2 4.39Å; S211-Y246 PolarHBondContact O-OH 2.91Å; F224-Y246 HydrophobicContact CE1-CD2 4.2Å; F237-Y246 CarbonylContact C-O 3.42Å; F237-Y246 WeakPolarHBondContact CA-O 3.1Å; V238-Y246 PolarHBondContact N-O 2.91Å; V238-Y246 PolarHBondContact O-N 3.49Å; C240-Y246 HydrophobicContact CB-CD2 4.02Å; C240-Y246 HydrophobicContact CB-CE2 3.79Å; D242-Y246 PolarHBondContact OD2-OH 2.88Å; D242-Y246 VanDerWaalsContact OD2-OH 3.08Å; T244-Y246 HydrophobicContact CG2-CD2 4.04Å; T244-Y246 HydrophobicContact CG2-CE1 4.36Å; T244-Y246 HydrophobicContact CG2-CE2 3.79Å; T244-Y246 HydrophobicContact CG2-CG 4.41Å; Y246-Y248 VanDerWaalsContact CB-CE2 3.5Å; Y246-Y248 HydrophobicContact CG-CE2 4.43Å; Y246-P257 HydrophobicContact CD1-CB 3.81Å; Y246-P257 HydrophobicContact CD1-CG 3.92Å; Y246-P257 HydrophobicContact CE1-CG 4.35Å; Y246-R260 HydrophobicContact CD1-CG 3.99Å; Y246-R260 HydrophobicContact CE1-CG 4.07Å |
| 247 | Q | 94.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.033 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.5 | 175.3 | -176.3 | 179.9 | -4.2 | 0 | 0 | 110.6 | F235 V236 F237 P257 I258 N259 F261 | F235-Q247 HydrophobicContact CB-CG 4.3Å; F235-Q247 HydrophobicContact CD1-CG 4.29Å; F235-Q247 HydrophobicContact CG-CG 4.43Å; V236-Q247 WeakPolarHBondContact O-CA 3.23Å; F237-Q247 HydrophobicContact CD1-CB 4.14Å; F237-Q247 HydrophobicContact CD1-CG 4.11Å; F237-Q247 HydrophobicContact CE1-CB 4.14Å; F237-Q247 HydrophobicContact CE1-CG 3.72Å; F237-Q247 HydrophobicContact CZ-CG 4.36Å; Q247-P257 CarbonylContact O-C 3.17Å; Q247-P257 WeakPolarHBondContact O-CA 3.4Å; Q247-I258 PolarHBondContact O-N 2.83Å; Q247-N259 HydrophobicContact CB-CB 4.05Å; Q247-N259 PolarHBondContact N-O 3.02Å; Q247-N259 PolarHBondContact O-N 3.38Å; Q247-F261 HydrophobicContact CB-CE2 4.03Å |
| 248 | Y | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 157.4 | 177.3 | -61.8 | -88.9 | 0 | 0 | 0 | 112.3 | I186 W208 F235 V236 V238 Y246 A250 P255 P257 | I186-Y248 HydrophobicContact CD1-CD2 4.19Å; I186-Y248 HydrophobicContact CD1-CE2 3.68Å; W208-Y248 HydrophobicContact CD2-CD1 4.46Å; W208-Y248 AromaticContact CE3-CD1 3.87Å; W208-Y248 HydrophobicContact CE3-CD1 3.87Å; W208-Y248 HydrophobicContact CE3-CD2 4.11Å; W208-Y248 HydrophobicContact CE3-CE1 4.27Å; W208-Y248 HydrophobicContact CE3-CE2 4.48Å; W208-Y248 AromaticContact CE3-CG 3.78Å; W208-Y248 HydrophobicContact CE3-CG 3.78Å; W208-Y248 HydrophobicContact CZ3-CD1 4.19Å; W208-Y248 HydrophobicContact CZ3-CD2 4.07Å; W208-Y248 AromaticContact CZ3-CG 3.69Å; W208-Y248 HydrophobicContact CZ3-CG 3.69Å; F235-Y248 WeakPolarHBondContact CA-O 3.47Å; V236-Y248 PolarHBondContact N-O 3.37Å; V236-Y248 VanDerWaalsContact N-O 3.14Å; V236-Y248 PolarHBondContact O-N 3.11Å; V238-Y248 HydrophobicContact CB-CE2 4.37Å; V238-Y248 HydrophobicContact CG2-CD2 4.03Å; V238-Y248 HydrophobicContact CG2-CE2 4.23Å; Y246-Y248 VanDerWaalsContact CB-CE2 3.5Å; Y246-Y248 HydrophobicContact CG-CE2 4.43Å; Y248-A250 PolarHBondContact O-N 2.88Å; Y248-P255 WeakPolarHBondContact CE1-O 3.48Å; Y248-P257 HydrophobicContact CD1-CB 4.26Å; Y248-P257 HydrophobicContact CE1-CB 3.85Å; Y248-P257 HydrophobicContact CE1-CG 4.4Å |
| 249 | S | 92.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 105.5 | 171.4 | -167 | 0 | 0 | 0 | 0 | 110.4 | L251 R252 L253 | S249-L251 PolarHBondContact O-N 2.93Å; S249-R252 PolarHBondContact OG-N 2.91Å; S249-L253 WeakPolarHBondContact O-CA 3.25Å; S249-L253 PolarHBondContact O-N 3.12Å |
| 250 | A | 88.2 | Confident | 90.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -25.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R171 N233 K234 V236 Y248 L253 | R171-A250 WeakPolarHBondContact CD-O 3.38Å; R171-A250 PolarHBondContact NE-O 2.92Å; R171-A250 PolarHBondContact NH1-O 3.14Å; N233-A250 WeakPolarHBondContact O-CB 3.22Å; K234-A250 WeakPolarHBondContact O-CB 3.31Å; K234-A250 PolarHBondContact O-N 2.85Å; V236-A250 HydrophobicContact CG1-CB 4.06Å; Y248-A250 PolarHBondContact O-N 2.88Å; A250-L253 VanDerWaalsContact O-CD2 3.3Å; A250-L253 WeakPolarHBondContact O-CD2 3.37Å |
| 251 | L | 87.4 | Confident | 90.4 | Very high | 95 Ų | 95 | 40.5 Ų | 40.5 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -50.6 | 179.3 | -59.6 | -176.6 | 0 | 0 | 0 | 113 | K234 S249 | K234-L251 HydrophobicContact CB-CD1 4.39Å; K234-L251 HydrophobicContact CG-CD1 4.03Å; K234-L251 HydrophobicContact CG-CG 4.4Å; S249-L251 PolarHBondContact O-N 2.93Å |
| 252 | R | 87.5 | Confident | 90.4 | Very high | 194 Ų | 194 | 43 Ų | 43 | 73% | 0.732 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -27 | -178.1 | -62.4 | 179.5 | 177.1 | 171.1 | -2.7 | 112.6 | S249 D254 | S249-R252 PolarHBondContact OG-N 2.91Å; R252-D254 VanDerWaalsContact CB-CG 3.45Å; R252-D254 WeakPolarHBondContact CB-OD1 3.45Å; R252-D254 WeakPolarHBondContact CB-OD2 3.21Å; R252-D254 WeakPolarHBondContact CD-OD2 3.46Å |
| 253 | L | 84.4 | Confident | 90.4 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | trans | 62.8 | 29.4 | -174.7 | -56.4 | 165.7 | 0 | 0 | 0 | 113.3 | Y175 L177 V188 W208 S249 A250 | Y175-L253 HydrophobicContact CD1-CD1 3.98Å; Y175-L253 HydrophobicContact CD2-CD1 4.1Å; Y175-L253 HydrophobicContact CE1-CD1 3.89Å; Y175-L253 HydrophobicContact CE2-CD1 4.01Å; Y175-L253 HydrophobicContact CG-CD1 4.08Å; L177-L253 HydrophobicContact CD1-CD2 4.23Å; V188-L253 HydrophobicContact CG1-CD1 4.09Å; V188-L253 HydrophobicContact CG1-CD2 4.02Å; W208-L253 HydrophobicContact CH2-CD2 4.45Å; W208-L253 HydrophobicContact CZ2-CB 4.1Å; W208-L253 HydrophobicContact CZ2-CD2 4Å; W208-L253 PolarHBondContact NE1-O 3.17Å; S249-L253 WeakPolarHBondContact O-CA 3.25Å; S249-L253 PolarHBondContact O-N 3.12Å; A250-L253 VanDerWaalsContact O-CD2 3.3Å; A250-L253 WeakPolarHBondContact O-CD2 3.37Å | ||
| 254 | D | 85.3 | Confident | 90.5 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | trans | -65.4 | 140.9 | 179.1 | -59.5 | -34.1 | 0 | 0 | 0 | 111.3 | R252 E256 | R252-D254 VanDerWaalsContact CB-CG 3.45Å; R252-D254 WeakPolarHBondContact CB-OD1 3.45Å; R252-D254 WeakPolarHBondContact CB-OD2 3.21Å; R252-D254 WeakPolarHBondContact CD-OD2 3.46Å; D254-E256 VanDerWaalsContact C-N 3.32Å; D254-E256 PolarHBondContact O-N 2.77Å | ||
| 255 | P | 88.4 | Confident | 90.5 | Very high | 56 Ų | 56 | 45 Ų | 45 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -75.7 | -16.5 | 179.1 | 31.7 | -36.1 | 0 | 0 | 0 | 114.4 | W208 Y248 | W208-P255 HydrophobicContact CB-CB 4.29Å; W208-P255 VanDerWaalsContact CD1-CA 3.41Å; W208-P255 HydrophobicContact CG-CB 4.23Å; Y248-P255 WeakPolarHBondContact CE1-O 3.48Å |
| 256 | E | 89 | Confident | 90.4 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 54% | 0.542 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -89.2 | 136.1 | -179.5 | -68.4 | -54.4 | 138.4 | 0 | 0 | 111.7 | D254 I258 | D254-E256 VanDerWaalsContact C-N 3.32Å; D254-E256 PolarHBondContact O-N 2.77Å; E256-I258 PolarHBondContact O-N 2.8Å |
| 257 | P | 91.1 | Very high | 90 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 14% | 0.136 | 27% | 0.266 | C | S | . | . | trans | -71.3 | 129.6 | 175.8 | 29.7 | -33.1 | 0 | 0 | 0 | 110.5 | Y246 Q247 Y248 N259 | Y246-P257 HydrophobicContact CD1-CB 3.81Å; Y246-P257 HydrophobicContact CD1-CG 3.92Å; Y246-P257 HydrophobicContact CE1-CG 4.35Å; Q247-P257 CarbonylContact O-C 3.17Å; Q247-P257 WeakPolarHBondContact O-CA 3.4Å; Y248-P257 HydrophobicContact CD1-CB 4.26Å; Y248-P257 HydrophobicContact CE1-CB 3.85Å; Y248-P257 HydrophobicContact CE1-CG 4.4Å; P257-N259 VanDerWaalsContact C-N 3.28Å; P257-N259 PolarHBondContact O-N 2.97Å | ||
| 258 | I | 92 | Very high | 89.6 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 48% | 0.477 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -63.1 | -40 | 172.4 | -54.3 | 177.2 | 0 | 0 | 0 | 110.2 | F235 Q247 E256 | F235-I258 HydrophobicContact CD1-CD1 3.78Å; F235-I258 HydrophobicContact CE1-CD1 3.57Å; Q247-I258 PolarHBondContact O-N 2.83Å; E256-I258 PolarHBondContact O-N 2.8Å |
| 259 | N | 91.5 | Very high | 89.1 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 161.8 | -174.5 | -153.2 | 4.8 | 0 | 0 | 0 | 112.2 | Q247 P257 F261 N300 | Q247-N259 HydrophobicContact CB-CB 4.05Å; Q247-N259 PolarHBondContact N-O 3.02Å; Q247-N259 PolarHBondContact O-N 3.38Å; P257-N259 VanDerWaalsContact C-N 3.28Å; P257-N259 PolarHBondContact O-N 2.97Å; N259-F261 HydrophobicContact CB-CZ 4.38Å; N259-N300 PolarHBondContact ND2-OD1 3.28Å; N259-N300 PolarHBondContact OD1-ND2 3.1Å; N259-N300 PolarHBondContact OD1-OD1 2.88Å; N259-N300 VanDerWaalsContact OD1-OD1 3.07Å |
| 260 | R | 92.4 | Very high | 88.7 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 119.7 | -180 | -60.7 | -173.5 | -168.8 | -149 | 1.9 | 109.6 | S211 T244 Y246 N300 | S211-R260 PolarHBondContact O-NH1 2.86Å; S211-R260 PolarHBondContact O-NH2 3.4Å; T244-R260 HydrophobicContact CG2-CB 3.75Å; T244-R260 HydrophobicContact CG2-CG 4.24Å; Y246-R260 HydrophobicContact CD1-CG 3.99Å; Y246-R260 HydrophobicContact CE1-CG 4.07Å; R260-N300 WeakPolarHBondContact O-CB 3.23Å; R260-N300 PolarHBondContact O-ND2 2.94Å |
| 261 | F | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.1 | 175.4 | -55.9 | -75.5 | 0 | 0 | 0 | 110 | F237 T244 I245 Q247 N259 L282 W294 Y296 W299 | F237-F261 HydrophobicContact CD1-CD2 4.46Å; F237-F261 AromaticContact CD1-CE2 3.94Å; F237-F261 HydrophobicContact CD1-CE2 3.94Å; F237-F261 AromaticContact CE1-CE2 3.81Å; F237-F261 HydrophobicContact CE1-CE2 3.81Å; F237-F261 HydrophobicContact CE1-CZ 4.41Å; T244-F261 WeakPolarHBondContact CA-O 3.46Å; I245-F261 HydrophobicContact CB-CB 4.22Å; I245-F261 HydrophobicContact CB-CD2 4.42Å; I245-F261 PolarHBondContact N-O 3.04Å; I245-F261 WeakPolarHBondContact O-CD2 3.41Å; I245-F261 PolarHBondContact O-N 2.9Å; Q247-F261 HydrophobicContact CB-CE2 4.03Å; N259-F261 HydrophobicContact CB-CZ 4.38Å; F261-L282 HydrophobicContact CD2-CD2 3.89Å; F261-L282 HydrophobicContact CE2-CD2 4.28Å; F261-L282 HydrophobicContact CG-CD2 4.36Å; F261-W294 HydrophobicContact CB-CD2 4.34Å; F261-W294 HydrophobicContact CB-CG 4.26Å; F261-W294 HydrophobicContact CD1-CB 4.08Å; F261-W294 AromaticContact CD1-CD1 3.72Å; F261-W294 AromaticContact CD1-CG 3.97Å; F261-W294 HydrophobicContact CD1-CG 3.97Å; F261-W294 HydrophobicContact CG-CG 4.33Å; F261-Y296 VanDerWaalsContact CZ-CB 3.47Å; F261-W299 WeakPolarHBondContact CE1-O 3.5Å |
| 262 | V | 91.6 | Very high | 88.4 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | trans | -120.6 | 157.8 | -177.2 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | T244 W294 N300 | T244-V262 HydrophobicContact CG2-CG1 4.48Å; V262-W294 PolarHBondContact O-NE1 3.13Å; V262-W294 VanDerWaalsContact O-NE1 3.14Å; V262-N300 PolarHBondContact N-O 2.98Å | ||
| 263 | G | 88.7 | Confident | 88.6 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | trans | 124.2 | -21 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L292 | G263-L292 VanDerWaalsContact O-CD1 3.29Å; G263-L292 WeakPolarHBondContact O-CD1 3.2Å | ||
| 264 | A | 90.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | trans | -76.7 | 142.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G243 I266 L292 W294 | G243-A264 WeakPolarHBondContact CA-O 3.48Å; A264-I266 HydrophobicContact CB-CD1 3.99Å; A264-I266 HydrophobicContact CB-CG1 3.72Å; A264-L292 HydrophobicContact CB-CD1 3.98Å; A264-W294 HydrophobicContact CB-CH2 4.05Å; A264-W294 HydrophobicContact CB-CZ2 4.47Å | ||
| 265 | T | 91.7 | Very high | 89.5 | Confident | 42 Ų | 42 | 45 Ų | 45 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | trans | -90.6 | 102 | 164.6 | -53.2 | 0 | 0 | 0 | 0 | 107.5 | R267 S286 E287 | T265-R267 HydrophobicContact CG2-CG 4.28Å; T265-S286 PolarHBondContact N-OG 3.08Å; T265-E287 HydrophobicContact CG2-CB 4.07Å; T265-E287 VanDerWaalsContact CG2-OE2 3.29Å; T265-E287 WeakPolarHBondContact CG2-OE2 3.31Å; T265-E287 WeakPolarHBondContact O-CB 3.39Å; T265-E287 PolarHBondContact O-N 2.56Å | ||
| 266 | I | 91 | Very high | 89.7 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | trans | -114.3 | 106.3 | 178.8 | -52.6 | 177 | 0 | 0 | 0 | 106.8 | T225 P239 C240 T241 I245 A264 V271 | T225-I266 HydrophobicContact CG2-CG2 3.9Å; P239-I266 HydrophobicContact CB-CD1 3.81Å; C240-I266 WeakPolarHBondContact O-CB 3.35Å; C240-I266 WeakPolarHBondContact O-CG2 3.35Å; T241-I266 CarbonylContact C-O 3.45Å; T241-I266 VanDerWaalsContact CA-O 3.26Å; T241-I266 WeakPolarHBondContact CA-O 3.18Å; I245-I266 HydrophobicContact CG1-CD1 4.03Å; A264-I266 HydrophobicContact CB-CD1 3.99Å; A264-I266 HydrophobicContact CB-CG1 3.72Å; I266-V271 HydrophobicContact CG2-CB 4.27Å; I266-V271 HydrophobicContact CG2-CG2 4.09Å | ||
| 267 | R | 85.5 | Confident | 89.7 | Confident | 153 Ų | 153 | 39.3 Ų | 39.3 | 58% | 0.577 | 21% | 0.207 | S | C | * | . | trans | -125.2 | -15.4 | 174.4 | -57.3 | -175.1 | -160.7 | -77.2 | 0.1 | 113.4 | T265 E287 | T265-R267 HydrophobicContact CG2-CG 4.28Å; R267-E287 WeakPolarHBondContact CB-OE2 3.36Å; R267-E287 WeakPolarHBondContact CD-OE2 3.5Å; R267-E287 WeakPolarHBondContact CG-OE2 3.4Å; R267-E287 IonicContact NE-OE2 3.96Å; R267-E287 PolarHBondContact NE-OE2 3.23Å | ||
| 268 | T | 85.1 | Confident | 89.5 | Confident | 46 Ų | 46 | 42 Ų | 42 | 28% | 0.282 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -96.5 | 160.4 | 177.7 | 73.6 | 0 | 0 | 0 | 0 | 110.4 | T225 Y270 | T225-T268 WeakPolarHBondContact CG2-O 3.32Å; T268-Y270 VanDerWaalsContact C-N 3.26Å; T268-Y270 PolarHBondContact O-N 3.04Å |
| 269 | Y | 84.5 | Confident | 89.3 | Confident | 46 Ų | 46 | 38 Ų | 38 | 18% | 0.18 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -87.7 | 8.8 | 174.6 | -72.9 | -91 | 0 | 0 | 0 | 113.4 | C166 Y181 A182 G223 T225 T241 | C166-Y269 HydrophobicContact CB-CD1 4.31Å; C166-Y269 VanDerWaalsContact SG-CD1 3.51Å; Y181-Y269 HydrophobicContact CD2-CD1 4.06Å; Y181-Y269 HydrophobicContact CD2-CD2 4.16Å; Y181-Y269 AromaticContact CD2-CE1 3.63Å; Y181-Y269 HydrophobicContact CD2-CE1 3.63Å; Y181-Y269 AromaticContact CD2-CE2 3.76Å; Y181-Y269 HydrophobicContact CD2-CE2 3.76Å; Y181-Y269 HydrophobicContact CD2-CG 4.3Å; Y181-Y269 AromaticContact CD2-CZ 3.45Å; Y181-Y269 VanDerWaalsContact CD2-CZ 3.45Å; Y181-Y269 HydrophobicContact CE2-CD1 4.43Å; Y181-Y269 AromaticContact CE2-CD2 3.72Å; Y181-Y269 HydrophobicContact CE2-CD2 3.72Å; Y181-Y269 HydrophobicContact CE2-CE1 4.01Å; Y181-Y269 AromaticContact CE2-CE2 3.21Å; Y181-Y269 HydrophobicContact CE2-CE2 3.21Å; Y181-Y269 HydrophobicContact CE2-CG 4.3Å; Y181-Y269 AromaticContact CE2-CZ 3.37Å; Y181-Y269 HydrophobicContact CG-CE1 4.37Å; Y181-Y269 AromaticContact CZ-CE2 3.94Å; A182-Y269 PolarHBondContact N-OH 2.96Å; G223-Y269 PolarHBondContact N-OH 3.42Å; T225-Y269 HydrophobicContact CG2-CD1 4.4Å; T241-Y269 HydrophobicContact CG2-CD1 4.39Å; T241-Y269 HydrophobicContact CG2-CD2 4.3Å; T241-Y269 HydrophobicContact CG2-CE1 4.1Å; T241-Y269 HydrophobicContact CG2-CE2 3.98Å |
| 270 | Y | 82.2 | Confident | 89.3 | Confident | 71 Ų | 71 | 37 Ų | 37 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | trans | -111 | 46.1 | -174 | -60.1 | -78.6 | 0 | 0 | 0 | 111.4 | F18 F68 R111 T268 C314 | F18-Y270 HydrophobicContact CD1-CD1 4.28Å; F18-Y270 HydrophobicContact CD1-CE1 4.26Å; F18-Y270 HydrophobicContact CE1-CE1 4.32Å; F68-Y270 HydrophobicContact CD1-CE1 4.4Å; R111-Y270 VanDerWaalsContact NH1-CZ 3.32Å; R111-Y270 PolarHBondContact NH1-OH 3.24Å; T268-Y270 VanDerWaalsContact C-N 3.26Å; T268-Y270 PolarHBondContact O-N 3.04Å; Y270-C314 CarbonylContact O-C 3.47Å; Y270-C314 WeakPolarHBondContact O-CA 3.43Å; Y270-C314 WeakPolarHBondContact O-CB 3.37Å | ||
| 271 | V | 82.8 | Confident | 89.4 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | trans | -120.4 | 117.5 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | T225 S226 I266 P273 C284 C314 | T225-V271 PolarHBondContact OG1-O 3.41Å; S226-V271 WeakPolarHBondContact CB-O 3.34Å; S226-V271 PolarHBondContact OG-O 3.29Å; I266-V271 HydrophobicContact CG2-CB 4.27Å; I266-V271 HydrophobicContact CG2-CG2 4.09Å; V271-P273 WeakPolarHBondContact O-CD 3.19Å; V271-C284 WeakPolarHBondContact CG1-SG 3.33Å; V271-C314 WeakPolarHBondContact CA-O 3.25Å | ||
| 272 | Y | 87.1 | Confident | 89.4 | Confident | 23 Ų | 23 | 36 Ų | 36 | 9% | 0.09 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -115.2 | 89 | -177.8 | -61.8 | -91.4 | 0 | 0 | 0 | 111.2 | F68 C314 V316 | F68-Y272 PolarHBondContact O-OH 2.86Å; Y272-C314 PolarHBondContact N-O 3.3Å; Y272-C314 VanDerWaalsContact N-O 3.1Å; Y272-V316 WeakPolarHBondContact O-CG2 3.43Å |
| 273 | P | 92 | Very high | 89.6 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | trans | -72.2 | 149 | 175.2 | 26.1 | -24.3 | 0 | 0 | 0 | 111 | S226 S228 P239 V271 L282 A283 C284 | S226-P273 WeakPolarHBondContact OG-CD 3.49Å; S228-P273 WeakPolarHBondContact CB-O 3.42Å; S228-P273 PolarHBondContact OG-O 2.77Å; P239-P273 HydrophobicContact CB-CG 4.21Å; P239-P273 HydrophobicContact CG-CG 3.65Å; V271-P273 WeakPolarHBondContact O-CD 3.19Å; P273-L282 HydrophobicContact CB-CD1 4.16Å; P273-A283 CarbonylContact C-O 3.59Å; P273-A283 WeakPolarHBondContact CA-O 3.21Å; P273-A283 VanDerWaalsContact CB-O 3.22Å; P273-A283 WeakPolarHBondContact CB-O 3.17Å; P273-C284 HydrophobicContact CB-CB 3.92Å | ||
| 274 | T | 94.5 | Very high | 89.8 | Confident | 27 Ų | 27 | 30.4 Ų | 30.4 | 17% | 0.166 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 144.2 | -176.3 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | A283 V316 W318 L324 | T274-A283 HydrophobicContact CG2-CB 4.16Å; T274-A283 PolarHBondContact N-O 3.25Å; T274-A283 PolarHBondContact O-N 3.33Å; T274-V316 WeakPolarHBondContact CB-O 3.41Å; T274-V316 HydrophobicContact CG2-CB 4.12Å; T274-V316 HydrophobicContact CG2-CG2 3.88Å; T274-V316 WeakPolarHBondContact CG2-O 3.43Å; T274-W318 HydrophobicContact CG2-CG 4.13Å; T274-W318 PolarHBondContact O-NE1 2.87Å; T274-L324 HydrophobicContact CG2-CD1 4.21Å |
| 275 | V | 94.3 | Very high | 89.9 | Confident | 13 Ų | 13 | 30.1 Ų | 30.1 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.2 | 177 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | S229 D230 F237 L282 Y296 W318 | S229-V275 WeakPolarHBondContact O-CG2 3.38Å; D230-V275 HydrophobicContact CB-CG1 4.31Å; F237-V275 HydrophobicContact CD2-CG2 3.44Å; F237-V275 VanDerWaalsContact CD2-CG2 3.44Å; F237-V275 HydrophobicContact CE2-CG2 3.52Å; F237-V275 HydrophobicContact CG-CG2 4.46Å; V275-L282 HydrophobicContact CG2-CD1 4.01Å; V275-Y296 HydrophobicContact CG1-CD1 4.44Å; V275-Y296 HydrophobicContact CG1-CE1 3.6Å; V275-W318 VanDerWaalsContact C-CD1 3.42Å |
| 276 | C | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | trans | -65.1 | 132.3 | 177.7 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | F278 F281 W318 | C276-F278 VanDerWaalsContact C-N 3.26Å; C276-F278 PolarHBondContact O-N 2.82Å; C276-F278 VanDerWaalsContact O-N 3.13Å; C276-F278 WeakPolarHBondContact SG-CZ 3.43Å; C276-F281 HydrophobicContact CB-CB 3.82Å; C276-F281 HydrophobicContact CB-CD2 4.49Å; C276-F281 WeakPolarHBondContact CB-O 3.3Å; C276-F281 PolarHBondContact N-O 3.41Å; C276-W318 HydrophobicContact CB-CD2 3.98Å; C276-W318 HydrophobicContact CB-CG 4.19Å; C276-W318 HydrophobicContact CB-CZ2 4.26Å | ||
| 277 | P | 88.7 | Confident | 90 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 33% | 0.325 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -13.1 | -167.4 | 20.4 | -30.4 | 0 | 0 | 0 | 116.2 | P231 N319 | P231-P277 WeakPolarHBondContact CG-O 3.45Å; P277-N319 WeakPolarHBondContact CG-O 3.39Å |
| 278 | F | 86 | Confident | 90.1 | Very high | 79 Ų | 79 | 28.5 Ų | 28.5 | 35% | 0.346 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | -2.6 | -175 | 56.6 | -99.2 | 0 | 0 | 0 | 114.2 | C276 I320 M369 | C276-F278 VanDerWaalsContact C-N 3.26Å; C276-F278 PolarHBondContact O-N 2.82Å; C276-F278 VanDerWaalsContact O-N 3.13Å; C276-F278 WeakPolarHBondContact SG-CZ 3.43Å; F278-I320 WeakPolarHBondContact CD1-O 3.38Å; F278-M369 HydrophobicContact CD1-SD 4.31Å; F278-M369 HydrophobicContact CD2-CE 4.24Å; F278-M369 HydrophobicContact CD2-CG 4.38Å; F278-M369 HydrophobicContact CD2-SD 3.74Å; F278-M369 HydrophobicContact CE1-SD 3.88Å; F278-M369 HydrophobicContact CE2-CE 3.33Å; F278-M369 HydrophobicContact CE2-CG 4.34Å; F278-M369 HydrophobicContact CE2-SD 3.28Å; F278-M369 WeakPolarHBondContact CE2-SD 3.26Å; F278-M369 HydrophobicContact CG-SD 4.27Å; F278-M369 HydrophobicContact CZ-CE 3.56Å; F278-M369 HydrophobicContact CZ-SD 3.35Å; F278-M369 WeakPolarHBondContact CZ-SD 3.46Å |
| 279 | A | 88.8 | Confident | 90.3 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -142.1 | 154.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F281 | A279-F281 HydrophobicContact CB-CD2 3.58Å; A279-F281 HydrophobicContact CB-CE2 3.69Å; A279-F281 HydrophobicContact CB-CG 4.42Å; A279-F281 PolarHBondContact O-N 3.11Å |
| 280 | P | 91.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -78 | 47.3 | -174.5 | 33.4 | -38.1 | 0 | 0 | 0 | 113.2 | N295 Y296 E297 | P280-N295 CarbonylContact O-C 3.47Å; P280-N295 VanDerWaalsContact O-CA 3.28Å; P280-N295 WeakPolarHBondContact O-CA 3.42Å; P280-Y296 VanDerWaalsContact C-CD1 3.43Å; P280-Y296 VanDerWaalsContact CA-CZ 3.48Å; P280-Y296 HydrophobicContact CB-CD1 4.36Å; P280-Y296 HydrophobicContact CB-CD2 4.41Å; P280-Y296 HydrophobicContact CB-CE1 3.94Å; P280-Y296 HydrophobicContact CB-CE2 3.97Å; P280-Y296 VanDerWaalsContact O-CD1 3.29Å; P280-Y296 WeakPolarHBondContact O-CD1 3.37Å; P280-Y296 PolarHBondContact O-N 2.81Å; P280-E297 HydrophobicContact CB-CB 4.26Å; P280-E297 HydrophobicContact CB-CG 3.66Å; P280-E297 HydrophobicContact CG-CG 4.44Å; P280-E297 WeakPolarHBondContact CG-OE2 3.44Å |
| 281 | F | 93.3 | Very high | 91.1 | Very high | 43 Ų | 43 | 22.8 Ų | 22.8 | 19% | 0.189 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.9 | 179.9 | -58.4 | -48.2 | 0 | 0 | 0 | 111.1 | C276 A279 I293 W294 N295 M303 W318 | C276-F281 HydrophobicContact CB-CB 3.82Å; C276-F281 HydrophobicContact CB-CD2 4.49Å; C276-F281 WeakPolarHBondContact CB-O 3.3Å; C276-F281 PolarHBondContact N-O 3.41Å; A279-F281 HydrophobicContact CB-CD2 3.58Å; A279-F281 HydrophobicContact CB-CE2 3.69Å; A279-F281 HydrophobicContact CB-CG 4.42Å; A279-F281 PolarHBondContact O-N 3.11Å; F281-I293 HydrophobicContact CB-CG2 3.97Å; F281-I293 HydrophobicContact CD1-CG2 4.37Å; F281-I293 HydrophobicContact CG-CG2 4.36Å; F281-W294 WeakPolarHBondContact CA-O 3.32Å; F281-N295 HydrophobicContact CD1-CB 4.36Å; F281-N295 HydrophobicContact CE1-CB 4.36Å; F281-M303 HydrophobicContact CD1-SD 4.02Å; F281-M303 HydrophobicContact CE1-CE 3.79Å; F281-M303 HydrophobicContact CE1-SD 3.48Å; F281-M303 WeakPolarHBondContact CE1-SD 3.38Å; F281-M303 HydrophobicContact CZ-CE 4.39Å; F281-M303 HydrophobicContact CZ-SD 4.36Å; F281-W318 HydrophobicContact CB-CZ2 4.27Å |
| 282 | L | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.3 | 169.8 | 175.5 | 68.6 | 0 | 0 | 0 | 107.5 | F237 I245 F261 P273 V275 I293 W294 Y296 | F237-L282 HydrophobicContact CB-CD1 4.03Å; F237-L282 HydrophobicContact CB-CD2 4.47Å; F237-L282 HydrophobicContact CD1-CD1 4.28Å; F237-L282 HydrophobicContact CD1-CD2 3.81Å; F237-L282 HydrophobicContact CD2-CD1 4.23Å; F237-L282 HydrophobicContact CE1-CD2 4.34Å; F237-L282 HydrophobicContact CG-CD1 3.91Å; F237-L282 HydrophobicContact CG-CD2 4.24Å; I245-L282 HydrophobicContact CD1-CD2 4.09Å; I245-L282 HydrophobicContact CG2-CD2 4.14Å; F261-L282 HydrophobicContact CD2-CD2 3.89Å; F261-L282 HydrophobicContact CE2-CD2 4.28Å; F261-L282 HydrophobicContact CG-CD2 4.36Å; P273-L282 HydrophobicContact CB-CD1 4.16Å; V275-L282 HydrophobicContact CG2-CD1 4.01Å; L282-I293 CarbonylContact O-C 3.57Å; L282-I293 VanDerWaalsContact O-CA 3.24Å; L282-I293 WeakPolarHBondContact O-CA 3.36Å; L282-W294 HydrophobicContact CD2-CE3 4.48Å; L282-W294 HydrophobicContact CG-CE3 4.47Å; L282-W294 PolarHBondContact N-O 2.82Å; L282-W294 PolarHBondContact O-N 2.89Å; L282-Y296 HydrophobicContact CB-CD1 4.2Å |
| 283 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 141.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P273 T274 L292 I293 V316 W318 L324 | P273-A283 CarbonylContact C-O 3.59Å; P273-A283 WeakPolarHBondContact CA-O 3.21Å; P273-A283 VanDerWaalsContact CB-O 3.22Å; P273-A283 WeakPolarHBondContact CB-O 3.17Å; T274-A283 HydrophobicContact CG2-CB 4.16Å; T274-A283 PolarHBondContact N-O 3.25Å; T274-A283 PolarHBondContact O-N 3.33Å; A283-L292 CarbonylContact C-O 3.59Å; A283-L292 VanDerWaalsContact CA-O 3.31Å; A283-L292 WeakPolarHBondContact CA-O 3.34Å; A283-I293 HydrophobicContact CB-CG1 4.19Å; A283-V316 HydrophobicContact CB-CG2 4.44Å; A283-W318 HydrophobicContact CB-CZ2 3.85Å; A283-L324 HydrophobicContact CB-CD1 4.2Å; A283-L324 HydrophobicContact CB-CD2 4.16Å |
| 284 | C | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 140.3 | 174.2 | -162 | 0 | 0 | 0 | 0 | 110.7 | I245 V271 P273 T291 L292 W294 | I245-C284 HydrophobicContact CD1-CB 3.54Å; V271-C284 WeakPolarHBondContact CG1-SG 3.33Å; P273-C284 HydrophobicContact CB-CB 3.92Å; C284-T291 WeakPolarHBondContact O-CA 3.19Å; C284-T291 WeakPolarHBondContact O-CG2 3.48Å; C284-L292 PolarHBondContact N-O 3.3Å; C284-L292 PolarHBondContact O-N 3.49Å; C284-W294 HydrophobicContact CB-CH2 3.93Å; C284-W294 HydrophobicContact CB-CZ3 3.54Å |
| 285 | G | 92.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 164.6 | 166 | 0 | 0 | 0 | 0 | 0 | 112.1 | V313 | G285-V313 WeakPolarHBondContact CA-O 3.35Å |
| 286 | S | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -143.3 | 146.6 | 179.4 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | T265 N288 G289 Q290 G312 V313 | T265-S286 PolarHBondContact N-OG 3.08Å; S286-N288 WeakPolarHBondContact CB-OD1 3.28Å; S286-N288 PolarHBondContact O-N 3.31Å; S286-N288 PolarHBondContact OG-OD1 3.13Å; S286-G289 PolarHBondContact O-N 3.37Å; S286-G289 VanDerWaalsContact O-N 3.13Å; S286-Q290 VanDerWaalsContact CB-O 3.32Å; S286-Q290 WeakPolarHBondContact CB-O 3.28Å; S286-Q290 PolarHBondContact N-O 2.78Å; S286-G312 WeakPolarHBondContact O-CA 3.38Å; S286-V313 PolarHBondContact O-N 2.81Å | ||
| 287 | E | 91 | Very high | 91.6 | Very high | 81 Ų | 81 | 27.6 Ų | 27.6 | 38% | 0.379 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26 | -178 | -174 | -179.5 | -158.6 | 0 | 0 | 112.9 | T265 R267 G289 G312 | T265-E287 HydrophobicContact CG2-CB 4.07Å; T265-E287 VanDerWaalsContact CG2-OE2 3.29Å; T265-E287 WeakPolarHBondContact CG2-OE2 3.31Å; T265-E287 WeakPolarHBondContact O-CB 3.39Å; T265-E287 PolarHBondContact O-N 2.56Å; R267-E287 WeakPolarHBondContact CB-OE2 3.36Å; R267-E287 WeakPolarHBondContact CD-OE2 3.5Å; R267-E287 WeakPolarHBondContact CG-OE2 3.4Å; R267-E287 IonicContact NE-OE2 3.96Å; R267-E287 PolarHBondContact NE-OE2 3.23Å; E287-G289 PolarHBondContact O-N 3.01Å; E287-G312 VanDerWaalsContact O-CA 3.25Å; E287-G312 WeakPolarHBondContact O-CA 3.5Å; E287-G312 PolarHBondContact O-N 3.4Å |
| 288 | N | 89 | Confident | 91.5 | Very high | 83 Ų | 83 | 30.4 Ų | 30.4 | 44% | 0.444 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 15.9 | 176.7 | 71.9 | -17.3 | 0 | 0 | 0 | 114.6 | S286 Q290 | S286-N288 WeakPolarHBondContact CB-OD1 3.28Å; S286-N288 PolarHBondContact O-N 3.31Å; S286-N288 PolarHBondContact OG-OD1 3.13Å; N288-Q290 PolarHBondContact ND2-OE1 3.39Å; N288-Q290 PolarHBondContact O-N 2.68Å; N288-Q290 WeakPolarHBondContact OD1-CB 3.12Å; N288-Q290 PolarHBondContact OD1-N 3.08Å |
| 289 | G | 88.3 | Confident | 91.3 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 73.3 | 5.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | S286 E287 V311 | S286-G289 PolarHBondContact O-N 3.37Å; S286-G289 VanDerWaalsContact O-N 3.13Å; E287-G289 PolarHBondContact O-N 3.01Å; G289-V311 WeakPolarHBondContact CA-O 3.24Å |
| 290 | Q | 90.8 | Very high | 91.1 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 19% | 0.187 | 16% | 0.162 | C | C | . | . | trans | -89.5 | 151.7 | 173.5 | -61.6 | -178 | -38.7 | 0 | 0 | 111.3 | S286 N288 T305 M306 D307 | S286-Q290 VanDerWaalsContact CB-O 3.32Å; S286-Q290 WeakPolarHBondContact CB-O 3.28Å; S286-Q290 PolarHBondContact N-O 2.78Å; N288-Q290 PolarHBondContact ND2-OE1 3.39Å; N288-Q290 PolarHBondContact O-N 2.68Å; N288-Q290 WeakPolarHBondContact OD1-CB 3.12Å; N288-Q290 PolarHBondContact OD1-N 3.08Å; Q290-T305 HydrophobicContact CB-CG2 4.2Å; Q290-T305 HydrophobicContact CG-CG2 4.16Å; Q290-M306 CarbonylContact C-O 3.57Å; Q290-M306 VanDerWaalsContact CA-O 3.3Å; Q290-M306 WeakPolarHBondContact CA-O 3.46Å; Q290-D307 PolarHBondContact NE2-OD1 2.86Å | ||
| 291 | T | 92 | Very high | 91 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.7 | 161.5 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | C284 M306 V316 T326 | C284-T291 WeakPolarHBondContact O-CA 3.19Å; C284-T291 WeakPolarHBondContact O-CG2 3.48Å; T291-M306 VanDerWaalsContact CB-CE 3.5Å; T291-M306 HydrophobicContact CG2-CE 3.28Å; T291-M306 PolarHBondContact N-O 2.72Å; T291-M306 WeakPolarHBondContact O-CA 3.48Å; T291-M306 WeakPolarHBondContact O-CB 3.46Å; T291-M306 PolarHBondContact O-N 2.98Å; T291-V316 HydrophobicContact CG2-CG1 3.84Å; T291-T326 HydrophobicContact CG2-CG2 3.83Å; T291-T326 VanDerWaalsContact OG1-CG2 3.25Å; T291-T326 WeakPolarHBondContact OG1-CG2 3.48Å |
| 292 | L | 92.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 145.3 | -177.2 | -65.3 | 171.6 | 0 | 0 | 0 | 110.1 | G263 A264 A283 C284 W294 P302 T305 | G263-L292 VanDerWaalsContact O-CD1 3.29Å; G263-L292 WeakPolarHBondContact O-CD1 3.2Å; A264-L292 HydrophobicContact CB-CD1 3.98Å; A283-L292 CarbonylContact C-O 3.59Å; A283-L292 VanDerWaalsContact CA-O 3.31Å; A283-L292 WeakPolarHBondContact CA-O 3.34Å; C284-L292 PolarHBondContact N-O 3.3Å; C284-L292 PolarHBondContact O-N 3.49Å; L292-W294 HydrophobicContact CB-CE3 4.27Å; L292-W294 HydrophobicContact CB-CH2 3.29Å; L292-W294 HydrophobicContact CB-CZ2 3.86Å; L292-W294 HydrophobicContact CB-CZ3 3.51Å; L292-W294 HydrophobicContact CD1-CH2 3.78Å; L292-W294 HydrophobicContact CD1-CZ2 3.87Å; L292-W294 HydrophobicContact CG-CH2 4.19Å; L292-W294 WeakPolarHBondContact O-CZ3 3.45Å; L292-P302 HydrophobicContact CB-CB 4.28Å; L292-P302 HydrophobicContact CD2-CB 3.94Å; L292-P302 HydrophobicContact CD2-CG 4.2Å; L292-T305 HydrophobicContact CD2-CG2 3.72Å; L292-T305 VanDerWaalsContact CD2-OG1 3.24Å; L292-T305 WeakPolarHBondContact CD2-OG1 3.41Å |
| 293 | I | 93.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.1 | 174.1 | -57.1 | 171.3 | 0 | 0 | 0 | 109 | M1 F281 L282 A283 P302 M303 Y304 M306 W318 L324 | M1-I293 HydrophobicContact CG-CD1 4.25Å; F281-I293 HydrophobicContact CB-CG2 3.97Å; F281-I293 HydrophobicContact CD1-CG2 4.37Å; F281-I293 HydrophobicContact CG-CG2 4.36Å; L282-I293 CarbonylContact O-C 3.57Å; L282-I293 VanDerWaalsContact O-CA 3.24Å; L282-I293 WeakPolarHBondContact O-CA 3.36Å; A283-I293 HydrophobicContact CB-CG1 4.19Å; I293-P302 CarbonylContact O-C 3.18Å; I293-M303 WeakPolarHBondContact O-CA 3.31Å; I293-M303 WeakPolarHBondContact O-CB 3.42Å; I293-M303 PolarHBondContact O-N 2.89Å; I293-Y304 HydrophobicContact CB-CD2 4.28Å; I293-Y304 HydrophobicContact CD1-CD2 4.39Å; I293-Y304 HydrophobicContact CG2-CD2 4.36Å; I293-Y304 PolarHBondContact N-O 2.79Å; I293-Y304 PolarHBondContact O-N 2.88Å; I293-Y304 VanDerWaalsContact O-N 3.11Å; I293-M306 HydrophobicContact CD1-CE 3.74Å; I293-M306 HydrophobicContact CD1-SD 3.85Å; I293-M306 HydrophobicContact CG1-CE 3.92Å; I293-W318 HydrophobicContact CD1-CH2 3.96Å; I293-W318 HydrophobicContact CD1-CZ2 4.24Å; I293-W318 HydrophobicContact CG1-CZ2 4.49Å; I293-L324 HydrophobicContact CD1-CD2 4.24Å |
| 294 | W | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 152.9 | 172.5 | -62 | -105.1 | 0 | 0 | 0 | 110.4 | I245 F261 V262 A264 F281 L282 C284 L292 N300 | I245-W294 HydrophobicContact CD1-CE3 4.48Å; I245-W294 HydrophobicContact CD1-CH2 3.91Å; I245-W294 HydrophobicContact CD1-CZ3 3.9Å; F261-W294 HydrophobicContact CB-CD2 4.34Å; F261-W294 HydrophobicContact CB-CG 4.26Å; F261-W294 HydrophobicContact CD1-CB 4.08Å; F261-W294 AromaticContact CD1-CD1 3.72Å; F261-W294 AromaticContact CD1-CG 3.97Å; F261-W294 HydrophobicContact CD1-CG 3.97Å; F261-W294 HydrophobicContact CG-CG 4.33Å; V262-W294 PolarHBondContact O-NE1 3.13Å; V262-W294 VanDerWaalsContact O-NE1 3.14Å; A264-W294 HydrophobicContact CB-CH2 4.05Å; A264-W294 HydrophobicContact CB-CZ2 4.47Å; F281-W294 WeakPolarHBondContact CA-O 3.32Å; L282-W294 HydrophobicContact CD2-CE3 4.48Å; L282-W294 HydrophobicContact CG-CE3 4.47Å; L282-W294 PolarHBondContact N-O 2.82Å; L282-W294 PolarHBondContact O-N 2.89Å; C284-W294 HydrophobicContact CB-CH2 3.93Å; C284-W294 HydrophobicContact CB-CZ3 3.54Å; L292-W294 HydrophobicContact CB-CE3 4.27Å; L292-W294 HydrophobicContact CB-CH2 3.29Å; L292-W294 HydrophobicContact CB-CZ2 3.86Å; L292-W294 HydrophobicContact CB-CZ3 3.51Å; L292-W294 HydrophobicContact CD1-CH2 3.78Å; L292-W294 HydrophobicContact CD1-CZ2 3.87Å; L292-W294 HydrophobicContact CG-CH2 4.19Å; L292-W294 WeakPolarHBondContact O-CZ3 3.45Å; W294-N300 PolarHBondContact NE1-O 3.14Å |
| 295 | N | 92.7 | Very high | 89.8 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.053 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 102 | 159.5 | -176.8 | -49.9 | 0 | 0 | 0 | 108.3 | P280 F281 E297 K298 W299 M303 | P280-N295 CarbonylContact O-C 3.47Å; P280-N295 VanDerWaalsContact O-CA 3.28Å; P280-N295 WeakPolarHBondContact O-CA 3.42Å; F281-N295 HydrophobicContact CD1-CB 4.36Å; F281-N295 HydrophobicContact CE1-CB 4.36Å; N295-E297 PolarHBondContact O-N 2.88Å; N295-E297 VanDerWaalsContact O-N 3.12Å; N295-E297 PolarHBondContact OD1-N 3.11Å; N295-E297 VanDerWaalsContact OD1-N 3.16Å; N295-K298 HydrophobicContact CB-CB 4.33Å; N295-K298 PolarHBondContact O-N 2.9Å; N295-K298 PolarHBondContact OD1-N 2.77Å; N295-W299 HydrophobicContact CB-CE3 3.88Å; N295-W299 HydrophobicContact CB-CZ3 4.06Å; N295-W299 PolarHBondContact O-N 2.92Å; N295-M303 HydrophobicContact CB-CE 4.41Å; N295-M303 HydrophobicContact CB-SD 4.24Å |
| 296 | Y | 92.1 | Very high | 89.5 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 8% | 0.078 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.8 | -169.2 | 65.8 | -109 | 0 | 0 | 0 | 114.4 | F235 F237 F261 V275 P280 L282 | F235-Y296 HydrophobicContact CD2-CE2 4.39Å; F237-Y296 HydrophobicContact CE1-CD1 4.32Å; F237-Y296 HydrophobicContact CE1-CD2 4.37Å; F237-Y296 AromaticContact CE1-CG 3.93Å; F237-Y296 HydrophobicContact CE1-CG 3.93Å; F237-Y296 HydrophobicContact CE2-CD1 4.46Å; F237-Y296 AromaticContact CZ-CD1 3.76Å; F237-Y296 HydrophobicContact CZ-CD1 3.76Å; F237-Y296 AromaticContact CZ-CD2 3.83Å; F237-Y296 HydrophobicContact CZ-CD2 3.83Å; F237-Y296 HydrophobicContact CZ-CE1 4.13Å; F237-Y296 HydrophobicContact CZ-CE2 4.22Å; F237-Y296 AromaticContact CZ-CG 3.6Å; F237-Y296 HydrophobicContact CZ-CG 3.6Å; F261-Y296 VanDerWaalsContact CZ-CB 3.47Å; V275-Y296 HydrophobicContact CG1-CD1 4.44Å; V275-Y296 HydrophobicContact CG1-CE1 3.6Å; P280-Y296 VanDerWaalsContact C-CD1 3.43Å; P280-Y296 VanDerWaalsContact CA-CZ 3.48Å; P280-Y296 HydrophobicContact CB-CD1 4.36Å; P280-Y296 HydrophobicContact CB-CD2 4.41Å; P280-Y296 HydrophobicContact CB-CE1 3.94Å; P280-Y296 HydrophobicContact CB-CE2 3.97Å; P280-Y296 VanDerWaalsContact O-CD1 3.29Å; P280-Y296 WeakPolarHBondContact O-CD1 3.37Å; P280-Y296 PolarHBondContact O-N 2.81Å; L282-Y296 HydrophobicContact CB-CD1 4.2Å |
| 297 | E | 90.6 | Very high | 89.1 | Confident | 136 Ų | 136 | 44.7 Ų | 44.7 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -14.5 | 174.3 | -67 | -177.7 | 158.7 | 0 | 0 | 113.1 | P280 N295 | P280-E297 HydrophobicContact CB-CB 4.26Å; P280-E297 HydrophobicContact CB-CG 3.66Å; P280-E297 HydrophobicContact CG-CG 4.44Å; P280-E297 WeakPolarHBondContact CG-OE2 3.44Å; N295-E297 PolarHBondContact O-N 2.88Å; N295-E297 VanDerWaalsContact O-N 3.12Å; N295-E297 PolarHBondContact OD1-N 3.11Å; N295-E297 VanDerWaalsContact OD1-N 3.16Å |
| 298 | K | 85.4 | Confident | 88.3 | Confident | 110 Ų | 110 | 42.3 Ų | 42.3 | 48% | 0.478 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -43.1 | -171.2 | -67.1 | -171 | 176.2 | -170.7 | 0 | 114.9 | N295 | N295-K298 HydrophobicContact CB-CB 4.33Å; N295-K298 PolarHBondContact O-N 2.9Å; N295-K298 PolarHBondContact OD1-N 2.77Å |
| 299 | W | 82.9 | Confident | 88.1 | Confident | 102 Ų | 102 | 39.1 Ų | 39.1 | 39% | 0.386 | 20% | 0.196 | S | C | . | . | trans | -144.2 | 142.9 | -166.7 | -47 | -58.8 | 0 | 0 | 0 | 113.1 | F261 N295 M303 | F261-W299 WeakPolarHBondContact CE1-O 3.5Å; N295-W299 HydrophobicContact CB-CE3 3.88Å; N295-W299 HydrophobicContact CB-CZ3 4.06Å; N295-W299 PolarHBondContact O-N 2.92Å; W299-M303 HydrophobicContact CE3-CB 4.24Å; W299-M303 HydrophobicContact CE3-CG 4.39Å; W299-M303 HydrophobicContact CH2-CE 3.93Å; W299-M303 HydrophobicContact CZ3-CB 4.15Å; W299-M303 HydrophobicContact CZ3-CE 3.46Å; W299-M303 VanDerWaalsContact CZ3-CE 3.46Å; W299-M303 HydrophobicContact CZ3-CG 3.79Å; W299-M303 HydrophobicContact CZ3-SD 4.08Å | ||
| 300 | N | 84.9 | Confident | 87.9 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -88.2 | -14.3 | 178 | -64.4 | 13.1 | 0 | 0 | 0 | 112.5 | N259 R260 V262 W294 | N259-N300 PolarHBondContact ND2-OD1 3.28Å; N259-N300 PolarHBondContact OD1-ND2 3.1Å; N259-N300 PolarHBondContact OD1-OD1 2.88Å; N259-N300 VanDerWaalsContact OD1-OD1 3.07Å; R260-N300 WeakPolarHBondContact O-CB 3.23Å; R260-N300 PolarHBondContact O-ND2 2.94Å; V262-N300 PolarHBondContact N-O 2.98Å; W294-N300 PolarHBondContact NE1-O 3.14Å |
| 301 | S | 88.7 | Confident | 87.7 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -89.3 | 151.5 | 172.8 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | M303 | S301-M303 PolarHBondContact O-N 3.05Š|
| 302 | P | 89 | Confident | 87.5 | Confident | 26 Ų | 26 | 51.8 Ų | 51.8 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | trans | -64.9 | 131.7 | 177.8 | 26.4 | -33.9 | 0 | 0 | 0 | 110.9 | L292 I293 | L292-P302 HydrophobicContact CB-CB 4.28Å; L292-P302 HydrophobicContact CD2-CB 3.94Å; L292-P302 HydrophobicContact CD2-CG 4.2Å; I293-P302 CarbonylContact O-C 3.18Å | ||
| 303 | M | 88.7 | Confident | 87.4 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -76.5 | -37.1 | 173.8 | 178 | -169.7 | -136.1 | 0 | 0 | 111.2 | F281 I293 N295 W299 S301 | F281-M303 HydrophobicContact CD1-SD 4.02Å; F281-M303 HydrophobicContact CE1-CE 3.79Å; F281-M303 HydrophobicContact CE1-SD 3.48Å; F281-M303 WeakPolarHBondContact CE1-SD 3.38Å; F281-M303 HydrophobicContact CZ-CE 4.39Å; F281-M303 HydrophobicContact CZ-SD 4.36Å; I293-M303 WeakPolarHBondContact O-CA 3.31Å; I293-M303 WeakPolarHBondContact O-CB 3.42Å; I293-M303 PolarHBondContact O-N 2.89Å; N295-M303 HydrophobicContact CB-CE 4.41Å; N295-M303 HydrophobicContact CB-SD 4.24Å; W299-M303 HydrophobicContact CE3-CB 4.24Å; W299-M303 HydrophobicContact CE3-CG 4.39Å; W299-M303 HydrophobicContact CH2-CE 3.93Å; W299-M303 HydrophobicContact CZ3-CB 4.15Å; W299-M303 HydrophobicContact CZ3-CE 3.46Å; W299-M303 VanDerWaalsContact CZ3-CE 3.46Å; W299-M303 HydrophobicContact CZ3-CG 3.79Å; W299-M303 HydrophobicContact CZ3-SD 4.08Å; S301-M303 PolarHBondContact O-N 3.05Å |
| 304 | Y | 85.8 | Confident | 87.2 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.1 | 175.9 | -54.7 | -64.7 | 0 | 0 | 0 | 111.2 | I293 | I293-Y304 HydrophobicContact CB-CD2 4.28Å; I293-Y304 HydrophobicContact CD1-CD2 4.39Å; I293-Y304 HydrophobicContact CG2-CD2 4.36Å; I293-Y304 PolarHBondContact N-O 2.79Å; I293-Y304 PolarHBondContact O-N 2.88Å; I293-Y304 VanDerWaalsContact O-N 3.11Å |
| 305 | T | 88.3 | Confident | 87.1 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 14% | 0.135 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.9 | 167.9 | -56 | 0 | 0 | 0 | 0 | 108.9 | Q290 L292 S353 | Q290-T305 HydrophobicContact CB-CG2 4.2Å; Q290-T305 HydrophobicContact CG-CG2 4.16Å; L292-T305 HydrophobicContact CD2-CG2 3.72Å; L292-T305 VanDerWaalsContact CD2-OG1 3.24Å; L292-T305 WeakPolarHBondContact CD2-OG1 3.41Å; T305-S353 WeakPolarHBondContact O-CB 3.5Å |
| 306 | M | 86 | Confident | 87.2 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110.1 | -179.8 | -57.9 | -179.8 | -59.2 | 0 | 0 | 111 | M1 Q290 T291 I293 L324 T326 W336 S353 | M1-M306 HydrophobicContact CB-SD 3.84Å; M1-M306 HydrophobicContact CG-SD 3.68Å; Q290-M306 CarbonylContact C-O 3.57Å; Q290-M306 VanDerWaalsContact CA-O 3.3Å; Q290-M306 WeakPolarHBondContact CA-O 3.46Å; T291-M306 VanDerWaalsContact CB-CE 3.5Å; T291-M306 HydrophobicContact CG2-CE 3.28Å; T291-M306 PolarHBondContact N-O 2.72Å; T291-M306 WeakPolarHBondContact O-CA 3.48Å; T291-M306 WeakPolarHBondContact O-CB 3.46Å; T291-M306 PolarHBondContact O-N 2.98Å; I293-M306 HydrophobicContact CD1-CE 3.74Å; I293-M306 HydrophobicContact CD1-SD 3.85Å; I293-M306 HydrophobicContact CG1-CE 3.92Å; M306-L324 HydrophobicContact CE-CD2 3.41Å; M306-L324 VanDerWaalsContact CE-CD2 3.41Å; M306-L324 HydrophobicContact SD-CD2 4.25Å; M306-T326 HydrophobicContact CE-CG2 4.49Å; M306-W336 HydrophobicContact CB-CH2 4.13Å; M306-W336 HydrophobicContact CB-CZ2 4.23Å; M306-W336 HydrophobicContact CB-CZ3 4.3Å; M306-W336 HydrophobicContact SD-CD2 4.05Å; M306-W336 HydrophobicContact SD-CE3 4.16Å; M306-W336 HydrophobicContact SD-CG 4.23Å; M306-S353 VanDerWaalsContact CA-CB 3.46Å; M306-S353 VanDerWaalsContact CA-OG 3.32Å; M306-S353 WeakPolarHBondContact CA-OG 3.28Å; M306-S353 WeakPolarHBondContact CB-OG 3.25Å; M306-S353 WeakPolarHBondContact CG-OG 3.36Å |
| 307 | D | 84.3 | Confident | 87.3 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | trans | -98 | 141.5 | -178.3 | -54.5 | -80.8 | 0 | 0 | 0 | 110.6 | Q290 W336 | Q290-D307 PolarHBondContact NE2-OD1 2.86Å; D307-W336 WeakPolarHBondContact O-CH2 3.23Å | ||
| 308 | G | 75.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | trans | 160.6 | -27.1 | 169 | 0 | 0 | 0 | 0 | 0 | 116.1 | R334 | G308-R334 VanDerWaalsContact O-CZ 3.31Å; G308-R334 PolarHBondContact O-NE 2.59Å; G308-R334 PolarHBondContact O-NH2 2.83Å | ||
| 309 | H | 85.1 | Confident | 87.7 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | trans | -73.5 | 149.2 | 169.1 | -69.6 | -80.1 | 0 | 0 | 0 | 109.9 | V311 V313 T326 S328 D330 S332 | H309-V311 WeakPolarHBondContact CB-O 3.48Å; H309-V313 HydrophobicContact CB-CG2 4.03Å; H309-T326 PolarHBondContact NE2-OG1 2.98Å; H309-S328 WeakPolarHBondContact ND1-CB 3.26Å; H309-D330 IonicContact CE1-OD1 3.08Å; H309-D330 IonicContact ND1-OD1 3.68Å; H309-D330 PolarHBondContact ND1-OD1 3.01Å; H309-D330 VanDerWaalsContact ND1-OD1 3.08Å; H309-D330 IonicContact ND1-OD2 3.98Å; H309-S332 PolarHBondContact CE1-O 3.23Å; H309-S332 VanDerWaalsContact CE1-O 3.31Å; H309-S332 PolarHBondContact ND1-OG 3.06Å | ||
| 310 | R | 82.9 | Confident | 87.8 | Confident | 235 Ų | 235 | 37.4 Ų | 37.4 | 89% | 0.887 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -90.5 | -26.5 | 178.3 | -63 | 178 | 179.5 | -90.4 | 1.2 | 111.2 | D330 | R310-D330 PolarHBondContact N-OD2 3.14Š|
| 311 | V | 86.2 | Confident | 87.8 | Confident | 70 Ų | 70 | 37.7 Ų | 37.7 | 42% | 0.424 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -120.6 | 169.3 | 179.6 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | G289 H309 S328 D329 D330 | G289-V311 WeakPolarHBondContact CA-O 3.24Å; H309-V311 WeakPolarHBondContact CB-O 3.48Å; V311-S328 PolarHBondContact O-OG 3.49Å; V311-D329 HydrophobicContact CG1-CB 3.91Å; V311-D330 HydrophobicContact CB-CB 4.22Å; V311-D330 HydrophobicContact CG2-CB 3.98Å; V311-D330 PolarHBondContact N-OD2 2.91Å |
| 312 | G | 87.8 | Confident | 87.6 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | trans | -50 | 144.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | S286 E287 S328 D329 | S286-G312 WeakPolarHBondContact O-CA 3.38Å; E287-G312 VanDerWaalsContact O-CA 3.25Å; E287-G312 WeakPolarHBondContact O-CA 3.5Å; E287-G312 PolarHBondContact O-N 3.4Å; G312-S328 VanDerWaalsContact O-CA 3.28Å; G312-S328 WeakPolarHBondContact O-CA 3.27Å; G312-S328 WeakPolarHBondContact O-CB 3.45Å; G312-S328 PolarHBondContact O-OG 3.03Å; G312-D329 PolarHBondContact O-N 2.93Å | ||
| 313 | V | 91 | Very high | 87.5 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 110.5 | 176.3 | 179.2 | 0 | 0 | 0 | 0 | 109 | G285 S286 H309 V316 C327 | G285-V313 WeakPolarHBondContact CA-O 3.35Å; S286-V313 PolarHBondContact O-N 2.81Å; H309-V313 HydrophobicContact CB-CG2 4.03Å; V313-V316 HydrophobicContact CG1-CG1 3.79Å; V313-C327 CarbonylContact C-O 3.59Å; V313-C327 WeakPolarHBondContact CA-O 3.39Å; V313-C327 WeakPolarHBondContact CG1-O 3.4Å |
| 314 | C | 90.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -46.8 | -175.9 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | L17 Y270 V271 Y272 C327 | L17-C314 PolarHBondContact O-SG 3.34Å; Y270-C314 CarbonylContact O-C 3.47Å; Y270-C314 WeakPolarHBondContact O-CA 3.43Å; Y270-C314 WeakPolarHBondContact O-CB 3.37Å; V271-C314 WeakPolarHBondContact CA-O 3.25Å; Y272-C314 PolarHBondContact N-O 3.3Å; Y272-C314 VanDerWaalsContact N-O 3.1Å; C314-C327 PolarHBondContact N-O 2.93Å; C314-C327 PolarHBondContact SG-O 3.27Å |
| 315 | S | 91.3 | Very high | 88 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.6 | -170.4 | -160.1 | 0 | 0 | 0 | 0 | 112.3 | A20 C327 | A20-S315 PolarHBondContact N-OG 2.89Å; A20-S315 PolarHBondContact O-OG 2.85Å; S315-C327 PolarHBondContact N-O 3.04Å; S315-C327 WeakPolarHBondContact O-CB 3.29Å; S315-C327 PolarHBondContact O-N 3.07Å |
| 316 | V | 93.7 | Very high | 88.2 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.4 | 175.9 | -68 | 0 | 0 | 0 | 0 | 110.7 | Y272 T274 A283 T291 V313 L324 V325 T326 | Y272-V316 WeakPolarHBondContact O-CG2 3.43Å; T274-V316 WeakPolarHBondContact CB-O 3.41Å; T274-V316 HydrophobicContact CG2-CB 4.12Å; T274-V316 HydrophobicContact CG2-CG2 3.88Å; T274-V316 WeakPolarHBondContact CG2-O 3.43Å; A283-V316 HydrophobicContact CB-CG2 4.44Å; T291-V316 HydrophobicContact CG2-CG1 3.84Å; V313-V316 HydrophobicContact CG1-CG1 3.79Å; V316-L324 HydrophobicContact CB-CD1 4.25Å; V316-V325 WeakPolarHBondContact CA-O 3.2Å; V316-T326 HydrophobicContact CG1-CG2 3.91Å |
| 317 | S | 94.4 | Very high | 88.4 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 129.6 | 179.6 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | A20 F22 L324 V325 | A20-S317 WeakPolarHBondContact O-CB 3.31Å; F22-S317 WeakPolarHBondContact CD2-O 3.43Å; F22-S317 WeakPolarHBondContact CE2-O 3.38Å; F22-S317 PolarHBondContact N-OG 3.49Å; S317-L324 CarbonylContact O-C 3.53Å; S317-L324 WeakPolarHBondContact O-CA 3.33Å; S317-L324 WeakPolarHBondContact O-CD1 3.19Å; S317-V325 PolarHBondContact N-O 3.24Å; S317-V325 VanDerWaalsContact N-O 3.12Å; S317-V325 PolarHBondContact O-N 2.88Å |
| 318 | W | 93.1 | Very high | 88.6 | Confident | 23 Ų | 23 | 25.2 Ų | 25.2 | 9% | 0.087 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 148.1 | 169.5 | -62.3 | 100.8 | 0 | 0 | 0 | 111.1 | M1 T274 V275 C276 F281 A283 I293 G322 Q323 L324 | M1-W318 HydrophobicContact CE-CH2 4.42Å; M1-W318 HydrophobicContact CE-CZ3 3.99Å; T274-W318 HydrophobicContact CG2-CG 4.13Å; T274-W318 PolarHBondContact O-NE1 2.87Å; V275-W318 VanDerWaalsContact C-CD1 3.42Å; C276-W318 HydrophobicContact CB-CD2 3.98Å; C276-W318 HydrophobicContact CB-CG 4.19Å; C276-W318 HydrophobicContact CB-CZ2 4.26Å; F281-W318 HydrophobicContact CB-CZ2 4.27Å; A283-W318 HydrophobicContact CB-CZ2 3.85Å; I293-W318 HydrophobicContact CD1-CH2 3.96Å; I293-W318 HydrophobicContact CD1-CZ2 4.24Å; I293-W318 HydrophobicContact CG1-CZ2 4.49Å; W318-G322 WeakPolarHBondContact CZ3-O 3.37Å; W318-Q323 CarbonylContact C-O 3.51Å; W318-Q323 WeakPolarHBondContact CA-O 3.36Å; W318-L324 HydrophobicContact CD2-CB 4.23Å; W318-L324 HydrophobicContact CD2-CD1 3.94Å; W318-L324 HydrophobicContact CE3-CB 3.73Å; W318-L324 HydrophobicContact CE3-CD1 4.33Å; W318-L324 HydrophobicContact CE3-CG 4.49Å; W318-L324 HydrophobicContact CG-CD1 4.22Å; W318-L324 HydrophobicContact CH2-CB 4.3Å; W318-L324 HydrophobicContact CH2-CD2 4.08Å; W318-L324 HydrophobicContact CZ2-CD1 4.46Å; W318-L324 HydrophobicContact CZ2-CD2 4.14Å; W318-L324 HydrophobicContact CZ3-CB 3.77Å; W318-L324 HydrophobicContact CZ3-CD2 4.4Å |
| 319 | N | 90.9 | Very high | 89 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | trans | -96 | 169.5 | 157.5 | 77.9 | 12.9 | 0 | 0 | 0 | 111.7 | F22 P277 Y321 G322 Q323 | F22-N319 HydrophobicContact CB-CB 3.99Å; F22-N319 HydrophobicContact CD1-CB 3.89Å; F22-N319 HydrophobicContact CD2-CB 3.82Å; F22-N319 HydrophobicContact CE1-CB 4.3Å; F22-N319 HydrophobicContact CE2-CB 4.21Å; F22-N319 HydrophobicContact CG-CB 3.64Å; F22-N319 HydrophobicContact CZ-CB 4.45Å; P277-N319 WeakPolarHBondContact CG-O 3.39Å; N319-Y321 PolarHBondContact O-N 2.76Å; N319-Y321 VanDerWaalsContact O-N 3.08Å; N319-Y321 PolarHBondContact OD1-N 2.88Å; N319-G322 PolarHBondContact O-N 2.9Å; N319-G322 PolarHBondContact OD1-N 3.37Å; N319-Q323 PolarHBondContact N-O 3.44Å; N319-Q323 PolarHBondContact ND2-OE1 3.39Å; N319-Q323 PolarHBondContact OD1-N 2.87Å | ||
| 320 | I | 86.6 | Confident | 88.7 | Confident | 31 Ų | 31 | 27.4 Ų | 27.4 | 16% | 0.159 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.9 | -177.4 | 58.5 | 159.5 | 0 | 0 | 0 | 115.1 | Y26 W29 F278 | Y26-I320 HydrophobicContact CD1-CD1 3.29Å; Y26-I320 HydrophobicContact CE1-CD1 3.73Å; Y26-I320 HydrophobicContact CG-CD1 4.01Å; W29-I320 HydrophobicContact CB-CD1 3.77Å; W29-I320 HydrophobicContact CB-CG1 3.64Å; W29-I320 HydrophobicContact CG-CD1 4.41Å; W29-I320 HydrophobicContact CG-CG1 4.44Å; F278-I320 WeakPolarHBondContact CD1-O 3.38Å |
| 321 | Y | 84.5 | Confident | 88.5 | Confident | 75 Ų | 75 | 17.8 Ų | 17.8 | 29% | 0.294 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -0.5 | 177.5 | -66.6 | -69.3 | 0 | 0 | 0 | 113.5 | W29 N319 | W29-Y321 HydrophobicContact CB-CD2 4.47Å; W29-Y321 HydrophobicContact CB-CE2 4.3Å; W29-Y321 AromaticContact CD1-CE2 3.75Å; W29-Y321 AromaticContact CD2-CD2 3.57Å; W29-Y321 HydrophobicContact CD2-CD2 3.57Å; W29-Y321 AromaticContact CD2-CE2 3.57Å; W29-Y321 HydrophobicContact CD2-CE2 3.57Å; W29-Y321 AromaticContact CE2-CD2 3.94Å; W29-Y321 AromaticContact CE2-CE2 3.65Å; W29-Y321 AromaticContact CE3-CD2 3.66Å; W29-Y321 HydrophobicContact CE3-CD2 3.66Å; W29-Y321 HydrophobicContact CE3-CE2 4.16Å; W29-Y321 AromaticContact CG-CD2 3.96Å; W29-Y321 HydrophobicContact CG-CD2 3.96Å; W29-Y321 AromaticContact CG-CE2 3.63Å; W29-Y321 HydrophobicContact CG-CE2 3.63Å; W29-Y321 HydrophobicContact CH2-CD2 4.43Å; W29-Y321 HydrophobicContact CZ2-CD2 4.35Å; W29-Y321 HydrophobicContact CZ2-CE2 4.28Å; W29-Y321 HydrophobicContact CZ3-CD2 4.11Å; W29-Y321 AromaticContact NE1-CE2 3.73Å; N319-Y321 PolarHBondContact O-N 2.76Å; N319-Y321 VanDerWaalsContact O-N 3.08Å; N319-Y321 PolarHBondContact OD1-N 2.88Å |
| 322 | G | 84.9 | Confident | 88.5 | Confident | 3 Ų | 3 | 15.2 Ų | 15.2 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 90.2 | 11.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | W318 N319 P338 | W318-G322 WeakPolarHBondContact CZ3-O 3.37Å; N319-G322 PolarHBondContact O-N 2.9Å; N319-G322 PolarHBondContact OD1-N 3.37Å; G322-P338 WeakPolarHBondContact O-CD 3.31Å |
| 323 | Q | 87.4 | Confident | 88.5 | Confident | 12 Ų | 12 | 15 Ų | 15 | 6% | 0.056 | 8% | 0.078 | C | C | . | . | trans | -70.7 | 145.6 | 159.8 | -57 | 174.5 | -28.6 | 0 | 0 | 108.5 | W318 N319 I335 W336 A337 | W318-Q323 CarbonylContact C-O 3.51Å; W318-Q323 WeakPolarHBondContact CA-O 3.36Å; N319-Q323 PolarHBondContact N-O 3.44Å; N319-Q323 PolarHBondContact ND2-OE1 3.39Å; N319-Q323 PolarHBondContact OD1-N 2.87Å; Q323-I335 HydrophobicContact CB-CG2 4.47Å; Q323-W336 CarbonylContact C-O 3.53Å; Q323-W336 VanDerWaalsContact CA-O 3.26Å; Q323-W336 WeakPolarHBondContact CA-O 3.48Å; Q323-A337 HydrophobicContact CG-CB 4.33Å | ||
| 324 | L | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.5 | -179.2 | 172.3 | 65.3 | 0 | 0 | 0 | 108.3 | M1 T274 A283 I293 M306 V316 S317 W318 T326 W336 | M1-L324 HydrophobicContact CE-CB 4.11Å; T274-L324 HydrophobicContact CG2-CD1 4.21Å; A283-L324 HydrophobicContact CB-CD1 4.2Å; A283-L324 HydrophobicContact CB-CD2 4.16Å; I293-L324 HydrophobicContact CD1-CD2 4.24Å; M306-L324 HydrophobicContact CE-CD2 3.41Å; M306-L324 VanDerWaalsContact CE-CD2 3.41Å; M306-L324 HydrophobicContact SD-CD2 4.25Å; V316-L324 HydrophobicContact CB-CD1 4.25Å; S317-L324 CarbonylContact O-C 3.53Å; S317-L324 WeakPolarHBondContact O-CA 3.33Å; S317-L324 WeakPolarHBondContact O-CD1 3.19Å; W318-L324 HydrophobicContact CD2-CB 4.23Å; W318-L324 HydrophobicContact CD2-CD1 3.94Å; W318-L324 HydrophobicContact CE3-CB 3.73Å; W318-L324 HydrophobicContact CE3-CD1 4.33Å; W318-L324 HydrophobicContact CE3-CG 4.49Å; W318-L324 HydrophobicContact CG-CD1 4.22Å; W318-L324 HydrophobicContact CH2-CB 4.3Å; W318-L324 HydrophobicContact CH2-CD2 4.08Å; W318-L324 HydrophobicContact CZ2-CD1 4.46Å; W318-L324 HydrophobicContact CZ2-CD2 4.14Å; W318-L324 HydrophobicContact CZ3-CB 3.77Å; W318-L324 HydrophobicContact CZ3-CD2 4.4Å; L324-T326 HydrophobicContact CG-CG2 4.44Å; L324-W336 HydrophobicContact CB-CB 4.28Å; L324-W336 PolarHBondContact N-O 3.47Å; L324-W336 PolarHBondContact O-N 3.25Å |
| 325 | V | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 141.4 | 165.5 | 66 | 0 | 0 | 0 | 0 | 109.8 | A20 F22 L32 V316 S317 W333 R334 | A20-V325 HydrophobicContact CB-CG1 4.27Å; F22-V325 HydrophobicContact CD2-CG1 4.12Å; F22-V325 HydrophobicContact CE2-CB 3.82Å; F22-V325 HydrophobicContact CE2-CG1 3.73Å; F22-V325 HydrophobicContact CZ-CB 4.23Å; F22-V325 HydrophobicContact CZ-CG1 4.47Å; L32-V325 HydrophobicContact CD1-CB 4.48Å; L32-V325 HydrophobicContact CD1-CG1 3.79Å; L32-V325 HydrophobicContact CD2-CB 4.26Å; L32-V325 HydrophobicContact CD2-CG1 4.43Å; L32-V325 HydrophobicContact CD2-CG2 3.83Å; V316-V325 WeakPolarHBondContact CA-O 3.2Å; S317-V325 PolarHBondContact N-O 3.24Å; S317-V325 VanDerWaalsContact N-O 3.12Å; S317-V325 PolarHBondContact O-N 2.88Å; V325-W333 HydrophobicContact CG2-CE3 3.79Å; V325-W333 HydrophobicContact CG2-CZ3 4.37Å; V325-R334 CarbonylContact C-O 3.59Å; V325-R334 VanDerWaalsContact CA-O 3.31Å; V325-R334 WeakPolarHBondContact CA-O 3.34Å |
| 326 | T | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.6 | 166.1 | 63.6 | 0 | 0 | 0 | 0 | 108.9 | T291 M306 H309 V316 L324 W333 R334 W336 | T291-T326 HydrophobicContact CG2-CG2 3.83Å; T291-T326 VanDerWaalsContact OG1-CG2 3.25Å; T291-T326 WeakPolarHBondContact OG1-CG2 3.48Å; M306-T326 HydrophobicContact CE-CG2 4.49Å; H309-T326 PolarHBondContact NE2-OG1 2.98Å; V316-T326 HydrophobicContact CG1-CG2 3.91Å; L324-T326 HydrophobicContact CG-CG2 4.44Å; T326-W333 CarbonylContact O-C 3.58Å; T326-W333 VanDerWaalsContact O-CA 3.23Å; T326-W333 WeakPolarHBondContact O-CA 3.48Å; T326-W333 WeakPolarHBondContact O-CB 3.26Å; T326-R334 PolarHBondContact N-O 2.98Å; T326-R334 PolarHBondContact O-N 2.84Å; T326-W336 VanDerWaalsContact CG2-NE1 3.29Å; T326-W336 PolarHBondContact OG1-NE1 3.06Å |
| 327 | C | 90.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 142 | -177.7 | -169.8 | 0 | 0 | 0 | 0 | 108.8 | L17 A20 V313 C314 S315 | L17-C327 WeakPolarHBondContact CB-SG 3.1Å; L17-C327 VanDerWaalsContact CD1-SG 3.57Å; A20-C327 HydrophobicContact CB-CB 3.94Å; V313-C327 CarbonylContact C-O 3.59Å; V313-C327 WeakPolarHBondContact CA-O 3.39Å; V313-C327 WeakPolarHBondContact CG1-O 3.4Å; C314-C327 PolarHBondContact N-O 2.93Å; C314-C327 PolarHBondContact SG-O 3.27Å; S315-C327 PolarHBondContact N-O 3.04Å; S315-C327 WeakPolarHBondContact O-CB 3.29Å; S315-C327 PolarHBondContact O-N 3.07Å |
| 328 | S | 87.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 169.7 | -174.8 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | H309 V311 G312 D330 S332 | H309-S328 WeakPolarHBondContact ND1-CB 3.26Å; V311-S328 PolarHBondContact O-OG 3.49Å; G312-S328 VanDerWaalsContact O-CA 3.28Å; G312-S328 WeakPolarHBondContact O-CA 3.27Å; G312-S328 WeakPolarHBondContact O-CB 3.45Å; G312-S328 PolarHBondContact O-OG 3.03Å; S328-D330 VanDerWaalsContact C-N 3.28Å; S328-D330 CarbonylContact C-O 3.58Å; S328-D330 WeakPolarHBondContact CB-O 3.42Å; S328-D330 WeakPolarHBondContact CB-OD1 3.42Å; S328-D330 PolarHBondContact OG-N 3.11Å; S328-D330 VanDerWaalsContact OG-N 3.11Å; S328-S332 PolarHBondContact N-O 3.08Å |
| 329 | D | 83.5 | Confident | 85.5 | Confident | 70 Ų | 70 | 19.2 Ų | 19.2 | 37% | 0.374 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -75.8 | -17.9 | 165 | -50.3 | -35.4 | 0 | 0 | 0 | 111.4 | V311 G312 | V311-D329 HydrophobicContact CG1-CB 3.91Å; G312-D329 PolarHBondContact O-N 2.93Å |
| 330 | D | 80 | Confident | 84.3 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -68 | 133 | 151 | 63.7 | 53.8 | 0 | 0 | 0 | 107.6 | H309 R310 V311 S328 S332 | H309-D330 IonicContact CE1-OD1 3.08Å; H309-D330 IonicContact ND1-OD1 3.68Å; H309-D330 PolarHBondContact ND1-OD1 3.01Å; H309-D330 VanDerWaalsContact ND1-OD1 3.08Å; H309-D330 IonicContact ND1-OD2 3.98Å; R310-D330 PolarHBondContact N-OD2 3.14Å; V311-D330 HydrophobicContact CB-CB 4.22Å; V311-D330 HydrophobicContact CG2-CB 3.98Å; V311-D330 PolarHBondContact N-OD2 2.91Å; S328-D330 VanDerWaalsContact C-N 3.28Å; S328-D330 CarbonylContact C-O 3.58Å; S328-D330 WeakPolarHBondContact CB-O 3.42Å; S328-D330 WeakPolarHBondContact CB-OD1 3.42Å; S328-D330 PolarHBondContact OG-N 3.11Å; S328-D330 VanDerWaalsContact OG-N 3.11Å; D330-S332 PolarHBondContact O-N 2.82Å; D330-S332 WeakPolarHBondContact OD1-CB 3.18Å; D330-S332 PolarHBondContact OD1-OG 3.11Å |
| 331 | P | 79.2 | Confident | 83.2 | Confident | 33 Ų | 33 | 30.3 Ų | 30.3 | 21% | 0.214 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -74.1 | 43 | -174.6 | 30.2 | -36.7 | 0 | 0 | 0 | 112.6 | R8 N9 E13 | R8-P331 WeakPolarHBondContact CA-O 3.39Å; N9-P331 PolarHBondContact N-O 3.08Å; N9-P331 VanDerWaalsContact N-O 3.13Å; E13-P331 VanDerWaalsContact O-CB 3.24Å; E13-P331 WeakPolarHBondContact O-CB 3.36Å; E13-P331 WeakPolarHBondContact O-CG 3.14Å |
| 332 | S | 84.9 | Confident | 82.2 | Confident | 16 Ų | 16 | 30 Ų | 30 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.1 | 174.9 | 93.4 | 0 | 0 | 0 | 0 | 110.4 | A7 H309 S328 D330 | A7-S332 VanDerWaalsContact O-CA 3.31Å; A7-S332 WeakPolarHBondContact O-CA 3.33Å; H309-S332 PolarHBondContact CE1-O 3.23Å; H309-S332 VanDerWaalsContact CE1-O 3.31Å; H309-S332 PolarHBondContact ND1-OG 3.06Å; S328-S332 PolarHBondContact N-O 3.08Å; D330-S332 PolarHBondContact O-N 2.82Å; D330-S332 WeakPolarHBondContact OD1-CB 3.18Å; D330-S332 PolarHBondContact OD1-OG 3.11Å |
| 333 | W | 88.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 149.6 | -178.8 | 60.3 | -79.8 | 0 | 0 | 0 | 108.7 | A7 R8 L32 M34 Y44 I54 V325 T326 I335 | A7-W333 HydrophobicContact CB-CD2 3.97Å; A7-W333 HydrophobicContact CB-CG 4.47Å; A7-W333 HydrophobicContact CB-CH2 4.33Å; A7-W333 HydrophobicContact CB-CZ2 3.62Å; A7-W333 PolarHBondContact N-O 3.18Å; A7-W333 PolarHBondContact O-N 3.08Å; A7-W333 VanDerWaalsContact O-O 3.12Å; R8-W333 PolarHBondContact O-NE1 2.91Å; R8-W333 VanDerWaalsContact O-NE1 3.08Å; L32-W333 HydrophobicContact CD2-CE3 3.77Å; L32-W333 HydrophobicContact CD2-CH2 3.82Å; L32-W333 HydrophobicContact CD2-CZ3 3.28Å; M34-W333 HydrophobicContact CE-CB 4.46Å; M34-W333 VanDerWaalsContact CE-CD1 3.49Å; M34-W333 HydrophobicContact CE-CD2 3.67Å; M34-W333 VanDerWaalsContact CE-CE2 3.44Å; M34-W333 HydrophobicContact CE-CE3 4.47Å; M34-W333 HydrophobicContact CE-CG 3.65Å; M34-W333 HydrophobicContact CE-CZ2 4.02Å; M34-W333 HydrophobicContact SD-CB 4.16Å; M34-W333 HydrophobicContact SD-CD2 3.9Å; M34-W333 HydrophobicContact SD-CE3 4.27Å; M34-W333 HydrophobicContact SD-CG 3.87Å; Y44-W333 HydrophobicContact CD1-CH2 4.23Å; Y44-W333 AromaticContact CD1-CZ2 3.73Å; Y44-W333 HydrophobicContact CD1-CZ2 3.73Å; Y44-W333 HydrophobicContact CD2-CH2 4.32Å; Y44-W333 AromaticContact CD2-CZ2 4Å; Y44-W333 HydrophobicContact CD2-CZ2 4Å; Y44-W333 AromaticContact CE1-CZ2 3.99Å; Y44-W333 HydrophobicContact CE1-CZ2 3.99Å; Y44-W333 HydrophobicContact CE2-CZ2 4.25Å; Y44-W333 AromaticContact CG-CH2 3.91Å; Y44-W333 HydrophobicContact CG-CH2 3.91Å; Y44-W333 AromaticContact CG-CZ2 3.73Å; Y44-W333 HydrophobicContact CG-CZ2 3.73Å; I54-W333 HydrophobicContact CD1-CH2 3.73Å; I54-W333 HydrophobicContact CD1-CZ2 4.29Å; I54-W333 HydrophobicContact CD1-CZ3 4.03Å; I54-W333 HydrophobicContact CG1-CH2 4.4Å; I54-W333 HydrophobicContact CG2-CH2 3.57Å; I54-W333 HydrophobicContact CG2-CZ2 3.84Å; V325-W333 HydrophobicContact CG2-CE3 3.79Å; V325-W333 HydrophobicContact CG2-CZ3 4.37Å; T326-W333 CarbonylContact O-C 3.58Å; T326-W333 VanDerWaalsContact O-CA 3.23Å; T326-W333 WeakPolarHBondContact O-CA 3.48Å; T326-W333 WeakPolarHBondContact O-CB 3.26Å; W333-I335 HydrophobicContact CE3-CG1 4.15Å; W333-I335 HydrophobicContact CH2-CD1 4.37Å; W333-I335 HydrophobicContact CZ3-CD1 3.76Å; W333-I335 HydrophobicContact CZ3-CG1 3.64Å |
| 334 | R | 88.2 | Confident | 79.7 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.8 | -169.8 | -62.4 | 176.4 | 171.9 | -105.3 | -1.7 | 110.2 | S5 V6 G308 V325 T326 W336 | S5-R334 WeakPolarHBondContact O-CA 3.21Å; V6-R334 HydrophobicContact CG1-CG 4.23Å; V6-R334 HydrophobicContact CG2-CG 4.21Å; G308-R334 VanDerWaalsContact O-CZ 3.31Å; G308-R334 PolarHBondContact O-NE 2.59Å; G308-R334 PolarHBondContact O-NH2 2.83Å; V325-R334 CarbonylContact C-O 3.59Å; V325-R334 VanDerWaalsContact CA-O 3.31Å; V325-R334 WeakPolarHBondContact CA-O 3.34Å; T326-R334 PolarHBondContact N-O 2.98Å; T326-R334 PolarHBondContact O-N 2.84Å; R334-W336 HydrophobicContact CB-CZ2 4.23Å |
| 335 | I | 87.3 | Confident | 78.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.8 | 170.6 | -55.9 | -178.4 | 0 | 0 | 0 | 108.5 | L4 S5 T46 A49 I54 Q323 W333 | L4-I335 HydrophobicContact CD1-CG2 4.3Å; L4-I335 PolarHBondContact N-O 2.93Å; S5-I335 PolarHBondContact O-N 3.19Å; T46-I335 HydrophobicContact CG2-CD1 3.52Å; A49-I335 HydrophobicContact CB-CD1 3.68Å; A49-I335 HydrophobicContact CB-CG2 4.28Å; I54-I335 HydrophobicContact CD1-CD1 3.59Å; I54-I335 HydrophobicContact CD1-CG1 4.21Å; I54-I335 HydrophobicContact CG1-CD1 3.95Å; Q323-I335 HydrophobicContact CB-CG2 4.47Å; W333-I335 HydrophobicContact CE3-CG1 4.15Å; W333-I335 HydrophobicContact CH2-CD1 4.37Å; W333-I335 HydrophobicContact CZ3-CD1 3.76Å; W333-I335 HydrophobicContact CZ3-CG1 3.64Å |
| 336 | W | 87.1 | Confident | 76.6 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.011 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.2 | 177.4 | -53.6 | 85.4 | 0 | 0 | 0 | 110.4 | M1 L2 C3 M306 D307 Q323 L324 T326 R334 S353 | M1-W336 HydrophobicContact CB-CB 4.17Å; M1-W336 HydrophobicContact CB-CE3 4.19Å; M1-W336 HydrophobicContact CE-CB 3.91Å; L2-W336 CarbonylContact O-C 3.56Å; L2-W336 WeakPolarHBondContact O-CA 3.29Å; C3-W336 HydrophobicContact CB-CD2 4.34Å; C3-W336 HydrophobicContact CB-CE3 3.78Å; C3-W336 HydrophobicContact CB-CH2 4Å; C3-W336 HydrophobicContact CB-CZ3 3.59Å; M306-W336 HydrophobicContact CB-CH2 4.13Å; M306-W336 HydrophobicContact CB-CZ2 4.23Å; M306-W336 HydrophobicContact CB-CZ3 4.3Å; M306-W336 HydrophobicContact SD-CD2 4.05Å; M306-W336 HydrophobicContact SD-CE3 4.16Å; M306-W336 HydrophobicContact SD-CG 4.23Å; D307-W336 WeakPolarHBondContact O-CH2 3.23Å; Q323-W336 CarbonylContact C-O 3.53Å; Q323-W336 VanDerWaalsContact CA-O 3.26Å; Q323-W336 WeakPolarHBondContact CA-O 3.48Å; L324-W336 HydrophobicContact CB-CB 4.28Å; L324-W336 PolarHBondContact N-O 3.47Å; L324-W336 PolarHBondContact O-N 3.25Å; T326-W336 VanDerWaalsContact CG2-NE1 3.29Å; T326-W336 PolarHBondContact OG1-NE1 3.06Å; R334-W336 HydrophobicContact CB-CZ2 4.23Å; W336-S353 WeakPolarHBondContact CZ3-OG 3.34Å |
| 337 | A | 83.2 | Confident | 74.9 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 L2 L4 Q323 C339 | M1-A337 CarbonylContact C-O 3.6Å; M1-A337 WeakPolarHBondContact CA-O 3.37Å; M1-A337 VanDerWaalsContact SD-C 3.58Å; L2-A337 PolarHBondContact N-O 3.37Å; L2-A337 PolarHBondContact O-N 3.12Å; L4-A337 HydrophobicContact CD1-CB 3.55Å; L4-A337 HydrophobicContact CD2-CB 4.03Å; L4-A337 HydrophobicContact CG-CB 3.71Å; Q323-A337 HydrophobicContact CG-CB 4.33Å; A337-C339 PolarHBondContact O-N 2.92Å |
| 338 | P | 76.1 | Confident | 73.2 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 29% | 0.292 | 29% | 0.293 | S | S | . | . | trans | -69.4 | 115 | 171.4 | 28.2 | -33.3 | 0 | 0 | 0 | 109.4 | M1 G322 W340 | M1-P338 HydrophobicContact SD-CB 4.13Å; G322-P338 WeakPolarHBondContact O-CD 3.31Å; P338-W340 HydrophobicContact CB-CZ2 4Å | ||
| 339 | C | 69.5 | Low | 71.4 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | trans | -100.4 | 133.7 | 171.8 | -168 | 0 | 0 | 0 | 0 | 110.3 | L2 A337 V345 | L2-C339 HydrophobicContact CB-CB 4.12Å; L2-C339 HydrophobicContact CD1-CB 3.46Å; L2-C339 VanDerWaalsContact CD1-CB 3.46Å; L2-C339 WeakPolarHBondContact CD1-SG 3.32Å; L2-C339 HydrophobicContact CG-CB 3.72Å; A337-C339 PolarHBondContact O-N 2.92Å; C339-V345 HydrophobicContact CB-CG2 3.9Å | ||
| 340 | W | 64.6 | Low | 69.5 | Low | 202 Ų | 202 | 70.4 Ų | 70.4 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | trans | -109.3 | -7.4 | 178.9 | -47.1 | 94.9 | 0 | 0 | 0 | 112.4 | P338 A342 | P338-W340 HydrophobicContact CB-CZ2 4Å; W340-A342 PolarHBondContact O-N 2.84Å | ||
| 341 | D | 63 | Low | 68.1 | Low | 65 Ų | 65 | 75.6 Ų | 75.6 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | trans | -88 | 107.9 | 178.9 | -170.4 | -19.4 | 0 | 0 | 0 | 111 | K343 L344 V345 | D341-K343 PolarHBondContact O-N 2.83Å; D341-K343 WeakPolarHBondContact OD1-CB 3.33Å; D341-K343 PolarHBondContact OD1-N 2.91Å; D341-L344 HydrophobicContact CB-CB 3.96Å; D341-L344 PolarHBondContact O-N 3.31Å; D341-V345 WeakPolarHBondContact O-CG2 3.4Å; D341-V345 PolarHBondContact O-N 2.94Å | ||
| 342 | A | 64 | Low | 66.3 | Low | 70 Ų | 70 | 74.7 Ų | 74.7 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65 | -19.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | W340 K346 | W340-A342 PolarHBondContact O-N 2.84Å; A342-K346 VanDerWaalsContact O-CG 3.26Å; A342-K346 WeakPolarHBondContact O-CG 3.36Å; A342-K346 PolarHBondContact O-N 3.22Å |
| 343 | K | 61 | Low | 64.4 | Low | 148 Ų | 148 | 74.3 Ų | 74.3 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -76.5 | -50.9 | 171.9 | -65.7 | -176.1 | 177.3 | -177.1 | 0 | 110.3 | D341 V345 K346 E347 | D341-K343 PolarHBondContact O-N 2.83Å; D341-K343 WeakPolarHBondContact OD1-CB 3.33Å; D341-K343 PolarHBondContact OD1-N 2.91Å; K343-V345 PolarHBondContact O-N 2.78Å; K343-K346 CarbonylContact O-C 3.47Å; K343-K346 WeakPolarHBondContact O-CA 3.35Å; K343-K346 WeakPolarHBondContact O-CB 3.26Å; K343-K346 PolarHBondContact O-N 2.92Å; K343-E347 WeakPolarHBondContact O-CG 3.22Å; K343-E347 PolarHBondContact O-N 2.87Å |
| 344 | L | 60 | Low | 62.3 | Low | 70 Ų | 70 | 77.7 Ų | 77.7 | 37% | 0.366 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -31.3 | -178 | -145.3 | 140.6 | 0 | 0 | 0 | 111.7 | L2 D341 N348 | L2-L344 HydrophobicContact CD1-CD2 3.36Å; D341-L344 HydrophobicContact CB-CB 3.96Å; D341-L344 PolarHBondContact O-N 3.31Å; L344-N348 WeakPolarHBondContact CD2-ND2 3.41Å; L344-N348 WeakPolarHBondContact O-CB 3.34Å; L344-N348 PolarHBondContact O-N 2.98Å; L344-N348 VanDerWaalsContact O-N 3.08Å; L344-N348 PolarHBondContact O-ND2 3.27Å |
| 345 | V | 60 | Low | 59.9 | Low | 36 Ų | 36 | 84.5 Ų | 84.5 | 22% | 0.218 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.5 | -29.2 | 170.3 | 171.8 | 0 | 0 | 0 | 0 | 113.7 | C339 D341 K343 C352 V354 | C339-V345 HydrophobicContact CB-CG2 3.9Å; D341-V345 WeakPolarHBondContact O-CG2 3.4Å; D341-V345 PolarHBondContact O-N 2.94Å; K343-V345 PolarHBondContact O-N 2.78Å; V345-C352 HydrophobicContact CG1-CB 4.42Å; V345-V354 HydrophobicContact CG1-CG2 4.06Å |
| 346 | K | 57.8 | Low | 57.5 | Low | 144 Ų | 144 | 91 Ų | 91 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -78.4 | -37.7 | 174.2 | -79.2 | 175.4 | -179.9 | -175.2 | 0 | 112.4 | A342 K343 R349 | A342-K346 VanDerWaalsContact O-CG 3.26Å; A342-K346 WeakPolarHBondContact O-CG 3.36Å; A342-K346 PolarHBondContact O-N 3.22Å; K343-K346 CarbonylContact O-C 3.47Å; K343-K346 WeakPolarHBondContact O-CA 3.35Å; K343-K346 WeakPolarHBondContact O-CB 3.26Å; K343-K346 PolarHBondContact O-N 2.92Å; K346-R349 WeakPolarHBondContact O-CG 3.43Å |
| 347 | E | 56.4 | Low | 54.7 | Low | 143 Ų | 143 | 95.8 Ų | 95.8 | 67% | 0.668 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -72.7 | -42.4 | -178.9 | -71.8 | 166.8 | -170.6 | 0 | 0 | 111.5 | K343 R349 | K343-E347 WeakPolarHBondContact O-CG 3.22Å; K343-E347 PolarHBondContact O-N 2.87Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 2.88Å |
| 348 | N | 55.2 | Low | 51.9 | Low | 59 Ų | 59 | 105.1 Ų | 105.1 | 32% | 0.316 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 37.6 | -179.5 | -62.1 | -80.3 | 0 | 0 | 0 | 112.5 | L2 L344 D350 Y351 C352 | L2-N348 HydrophobicContact CD2-CB 3.93Å; L344-N348 WeakPolarHBondContact CD2-ND2 3.41Å; L344-N348 WeakPolarHBondContact O-CB 3.34Å; L344-N348 PolarHBondContact O-N 2.98Å; L344-N348 VanDerWaalsContact O-N 3.08Å; L344-N348 PolarHBondContact O-ND2 3.27Å; N348-D350 PolarHBondContact O-N 3.04Å; N348-D350 VanDerWaalsContact O-N 3.14Å; N348-Y351 CarbonylContact O-C 3.58Å; N348-Y351 WeakPolarHBondContact O-CA 3.41Å; N348-Y351 PolarHBondContact O-N 2.84Å; N348-C352 WeakPolarHBondContact O-CB 3.47Å; N348-C352 PolarHBondContact O-N 2.88Å; N348-C352 PolarHBondContact O-SG 3.08Å; N348-C352 VanDerWaalsContact O-SG 3.34Å |
| 349 | R | 49.3 | Very low | 49.7 | Very low | 175 Ų | 175 | 109.7 Ų | 109.7 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -52 | -38.7 | -174.6 | -98.6 | 175.1 | 174.6 | -166.7 | -1.7 | 113.8 | K346 E347 Y351 C352 | K346-R349 WeakPolarHBondContact O-CG 3.43Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 2.88Å; R349-Y351 PolarHBondContact O-N 2.91Å; R349-C352 CarbonylContact O-C 3.55Å; R349-C352 PolarHBondContact O-N 2.94Å; R349-C352 VanDerWaalsContact O-N 3.1Å |
| 350 | D | 45 | Very low | 47.8 | Very low | 157 Ų | 157 | 115.1 Ų | 115.1 | 84% | 0.84 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -70 | -18 | 179.9 | -50.7 | -34.5 | 0 | 0 | 0 | 113.4 | N348 | N348-D350 PolarHBondContact O-N 3.04Å; N348-D350 VanDerWaalsContact O-N 3.14Å |
| 351 | Y | 49.5 | Very low | 46 | Very low | 131 Ų | 131 | 110.7 Ų | 110.7 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -109.7 | 1 | 174.4 | -53.6 | -85.3 | 0 | 0 | 0 | 112.3 | C3 N348 R349 | C3-Y351 WeakPolarHBondContact CB-O 3.38Å; C3-Y351 PolarHBondContact N-O 2.82Å; N348-Y351 CarbonylContact O-C 3.58Å; N348-Y351 WeakPolarHBondContact O-CA 3.41Å; N348-Y351 PolarHBondContact O-N 2.84Å; R349-Y351 PolarHBondContact O-N 2.91Å |
| 352 | C | 42 | Very low | 44.4 | Very low | 14 Ų | 14 | 114.4 Ų | 114.4 | 10% | 0.095 | 56% | 0.559 | C | S | . | * | trans | -106.4 | 94.6 | 177 | -80.4 | 0 | 0 | 0 | 0 | 110.2 | L2 V345 N348 R349 V354 | L2-C352 WeakPolarHBondContact CD2-SG 3.36Å; V345-C352 HydrophobicContact CG1-CB 4.42Å; N348-C352 WeakPolarHBondContact O-CB 3.47Å; N348-C352 PolarHBondContact O-N 2.88Å; N348-C352 PolarHBondContact O-SG 3.08Å; N348-C352 VanDerWaalsContact O-SG 3.34Å; R349-C352 CarbonylContact O-C 3.55Å; R349-C352 PolarHBondContact O-N 2.94Å; R349-C352 VanDerWaalsContact O-N 3.1Å; C352-V354 VanDerWaalsContact C-N 3.32Å; C352-V354 HydrophobicContact CB-CG2 4.12Å; C352-V354 PolarHBondContact O-N 3.24Å | ||
| 353 | S | 45.5 | Very low | 42.8 | Very low | 8 Ų | 8 | 121 Ų | 121 | 6% | 0.056 | 57% | 0.569 | C | S | . | * | trans | -72.3 | 91.4 | 165.1 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | T305 M306 W336 | T305-S353 WeakPolarHBondContact O-CB 3.5Å; M306-S353 VanDerWaalsContact CA-CB 3.46Å; M306-S353 VanDerWaalsContact CA-OG 3.32Å; M306-S353 WeakPolarHBondContact CA-OG 3.28Å; M306-S353 WeakPolarHBondContact CB-OG 3.25Å; M306-S353 WeakPolarHBondContact CG-OG 3.36Å; W336-S353 WeakPolarHBondContact CZ3-OG 3.34Å | ||
| 354 | V | 43.6 | Very low | 41.2 | Very low | 72 Ų | 72 | 121.6 Ų | 121.6 | 44% | 0.436 | 58% | 0.578 | S | S | . | * | trans | -128.3 | 69.6 | 178.2 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | V345 C352 Q356 | V345-V354 HydrophobicContact CG1-CG2 4.06Å; C352-V354 VanDerWaalsContact C-N 3.32Å; C352-V354 HydrophobicContact CB-CG2 4.12Å; C352-V354 PolarHBondContact O-N 3.24Å; V354-Q356 HydrophobicContact CG1-CB 4.01Å; V354-Q356 PolarHBondContact O-N 3.28Å | ||
| 355 | R | 37.6 | Very low | 39.6 | Very low | 183 Ų | 183 | 123 Ų | 123 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | trans | -82.8 | 73.6 | 147.7 | -75.8 | -173.2 | 174.9 | -176.2 | 1 | 108.6 | L357 | R355-L357 PolarHBondContact O-N 3.04Š| ||
| 356 | Q | 37.6 | Very low | 37.9 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 65% | 0.645 | 62% | 0.62 | S | S | * | * | trans | -71.8 | 110.5 | 162.9 | -179.1 | 177.4 | -3.5 | 0 | 0 | 107.2 | V354 K358 | V354-Q356 HydrophobicContact CG1-CB 4.01Å; V354-Q356 PolarHBondContact O-N 3.28Å; Q356-K358 PolarHBondContact O-N 2.97Å | ||
| 357 | L | 27.3 | Very low | 36.5 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | trans | -61.1 | 122 | 166.1 | -78.3 | 166.5 | 0 | 0 | 0 | 107.9 | R355 F359 | R355-L357 PolarHBondContact O-N 3.04Å; L357-F359 VanDerWaalsContact C-N 3.32Å; L357-F359 HydrophobicContact CB-CD2 3.93Å; L357-F359 HydrophobicContact CB-CE2 3.39Å; L357-F359 HydrophobicContact CB-CZ 3.95Å; L357-F359 HydrophobicContact CD1-CE2 4.12Å; L357-F359 HydrophobicContact CD1-CZ 4.18Å; L357-F359 HydrophobicContact CG-CE2 4.38Å; L357-F359 WeakPolarHBondContact O-CD2 3.31Å; L357-F359 PolarHBondContact O-N 3.25Å | ||
| 358 | K | 25.9 | Very low | 34.9 | Very low | 206 Ų | 206 | 132.6 Ų | 132.6 | 90% | 0.896 | 62% | 0.617 | S | S | * | * | trans | -77.7 | 83.3 | -174.2 | -167.9 | -173.4 | -177.6 | -168.3 | 0 | 108.9 | Q356 | Q356-K358 PolarHBondContact O-N 2.97Š| ||
| 359 | F | 29.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 62% | 0.618 | 62% | 0.62 | S | S | * | * | trans | -83 | 154.8 | 173.6 | -69.8 | -68.3 | 0 | 0 | 0 | 111.8 | L357 | L357-F359 VanDerWaalsContact C-N 3.32Å; L357-F359 HydrophobicContact CB-CD2 3.93Å; L357-F359 HydrophobicContact CB-CE2 3.39Å; L357-F359 HydrophobicContact CB-CZ 3.95Å; L357-F359 HydrophobicContact CD1-CE2 4.12Å; L357-F359 HydrophobicContact CD1-CZ 4.18Å; L357-F359 HydrophobicContact CG-CE2 4.38Å; L357-F359 WeakPolarHBondContact O-CD2 3.31Å; L357-F359 PolarHBondContact O-N 3.25Å | ||
| 360 | D | 28.4 | Very low | 32.3 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 62% | 0.62 | S | S | * | * | trans | -62.4 | 153.4 | -168.3 | -149.1 | -11 | 0 | 0 | 0 | 112.8 | D362 | D360-D362 PolarHBondContact O-N 2.92Š| ||
| 361 | S | 28.4 | Very low | 31.4 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -76.8 | 84.9 | -167.1 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 362 | D | 29.4 | Very low | 30.2 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 63% | 0.625 | S | S | * | * | trans | -153 | 140.1 | 157.3 | -127.1 | -24.9 | 0 | 0 | 0 | 115.5 | D360 | D360-D362 PolarHBondContact O-N 2.92Š| ||
| 363 | R | 28.8 | Very low | 29.4 | Very low | 209 Ų | 209 | 142 Ų | 142 | 79% | 0.789 | 66% | 0.656 | S | S | * | * | trans | 63.9 | 66.7 | 171.1 | -52.1 | -177.6 | -176.7 | -166.3 | -0.3 | 118.4 | V365 | R363-V365 PolarHBondContact O-N 3.07Å; R363-V365 VanDerWaalsContact O-N 3.13Å | ||
| 364 | I | 27.7 | Very low | 28.5 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 82% | 0.821 | 70% | 0.697 | S | S | * | * | trans | -69.3 | 102.2 | 159.5 | -59.2 | 175.6 | 0 | 0 | 0 | 110.1 | R366 | I364-R366 HydrophobicContact CG2-CG 4.46Å; I364-R366 PolarHBondContact O-N 2.81Å | ||
| 365 | V | 25.9 | Very low | 27.7 | Very low | 101 Ų | 101 | 159.7 Ų | 159.7 | 61% | 0.612 | 72% | 0.72 | S | S | * | * | trans | -80.9 | 106.2 | 170.8 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | R363 I367 | R363-V365 PolarHBondContact O-N 3.07Å; R363-V365 VanDerWaalsContact O-N 3.13Å; V365-I367 HydrophobicContact CG1-CG1 4.32Å; V365-I367 PolarHBondContact O-N 2.82Å; V365-I367 VanDerWaalsContact O-N 3.12Å | ||
| 366 | R | 25.3 | Very low | 27.3 | Very low | 230 Ų | 230 | 156.3 Ų | 156.3 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | trans | -74.9 | 93.7 | 175.1 | -71.4 | -179.9 | 176.3 | 163.9 | -1 | 111 | I364 R368 | I364-R366 HydrophobicContact CG2-CG 4.46Å; I364-R366 PolarHBondContact O-N 2.81Å; R366-R368 PolarHBondContact O-N 3.2Å | ||
| 367 | I | 28.3 | Very low | 26.7 | Very low | 84 Ų | 84 | 161.2 Ų | 161.2 | 43% | 0.431 | 74% | 0.737 | S | S | . | * | trans | -74.1 | 108.2 | 169.7 | -58 | 177.7 | 0 | 0 | 0 | 108.7 | V365 M369 | V365-I367 HydrophobicContact CG1-CG1 4.32Å; V365-I367 PolarHBondContact O-N 2.82Å; V365-I367 VanDerWaalsContact O-N 3.12Å; I367-M369 PolarHBondContact O-N 2.76Å | ||
| 368 | R | 23.5 | Very low | 27 | Very low | 209 Ų | 209 | 163.5 Ų | 163.5 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | trans | -94.3 | 87.4 | -175.3 | -163.2 | 179.1 | -168.6 | 179.5 | 3 | 110.6 | R366 | R366-R368 PolarHBondContact O-N 3.2Š| ||
| 369 | M | 24.6 | Very low | 27.4 | Very low | 76 Ų | 76 | 162.5 Ų | 162.5 | 37% | 0.374 | 75% | 0.748 | S | S | . | * | trans | -67 | 136.3 | 173.2 | -79.4 | -172.6 | -96.3 | 0 | 0 | 111.6 | F278 I367 | F278-M369 HydrophobicContact CD1-SD 4.31Å; F278-M369 HydrophobicContact CD2-CE 4.24Å; F278-M369 HydrophobicContact CD2-CG 4.38Å; F278-M369 HydrophobicContact CD2-SD 3.74Å; F278-M369 HydrophobicContact CE1-SD 3.88Å; F278-M369 HydrophobicContact CE2-CE 3.33Å; F278-M369 HydrophobicContact CE2-CG 4.34Å; F278-M369 HydrophobicContact CE2-SD 3.28Å; F278-M369 WeakPolarHBondContact CE2-SD 3.26Å; F278-M369 HydrophobicContact CG-SD 4.27Å; F278-M369 HydrophobicContact CZ-CE 3.56Å; F278-M369 HydrophobicContact CZ-SD 3.35Å; F278-M369 WeakPolarHBondContact CZ-SD 3.46Å; I367-M369 PolarHBondContact O-N 2.76Å | ||
| 370 | K | 23.8 | Very low | 27.3 | Very low | 155 Ų | 155 | 164.4 Ų | 164.4 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | -96.8 | 108.3 | 173.8 | -70 | -180 | 177.4 | 178.1 | 0 | 109.4 | Y372 | K370-Y372 HydrophobicContact CB-CE2 4.44Š| ||
| 371 | T | 25.9 | Very low | 27.6 | Very low | 117 Ų | 117 | 161.9 Ų | 161.9 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 131.8 | 169.1 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 372 | Y | 25.4 | Very low | 27.7 | Very low | 185 Ų | 185 | 160.2 Ų | 160.2 | 73% | 0.725 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 127.2 | 175 | -72.8 | -99.7 | 0 | 0 | 0 | 109.5 | K370 | K370-Y372 HydrophobicContact CB-CE2 4.44Š|
| 373 | R | 25.1 | Very low | 28 | Very low | 202 Ų | 202 | 160.4 Ų | 160.4 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 118.6 | 169 | -85.4 | -176 | 170.6 | 178.9 | -3.4 | 109.9 | ||
| 374 | F | 26 | Very low | 28.2 | Very low | 207 Ų | 207 | 157 Ų | 157 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 131.3 | 162.6 | -119.4 | -94.3 | 0 | 0 | 0 | 109.2 | ||
| 375 | R | 26.8 | Very low | 28.5 | Very low | 244 Ų | 244 | 154.8 Ų | 154.8 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 116.8 | 164.4 | -80.6 | -176.2 | 172.5 | 177.1 | -2.1 | 108.2 | ||
| 376 | S | 29.4 | Very low | 29 | Very low | 112 Ų | 112 | 159.7 Ų | 159.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 122.1 | 159.5 | 51 | 0 | 0 | 0 | 0 | 108.6 | ||
| 377 | R | 26 | Very low | 29.2 | Very low | 240 Ų | 240 | 151.8 Ų | 151.8 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 122.7 | 157.9 | -93.6 | 179.7 | 166 | 162.4 | -5.2 | 106.7 | ||
| 378 | D | 32.7 | Very low | 29.5 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -162.8 | 146 | 151.9 | -99.9 | -35.3 | 0 | 0 | 0 | 111.3 | ||||
| 379 | Q | 34.7 | Very low | 29.7 | Very low | 186 Ų | 186 | 159 Ų | 159 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 70.4 | 88.6 | 168.6 | -60.4 | 175.8 | 17.2 | 0 | 0 | 118.4 | ||||
| 380 | L | 27.5 | Very low | 29.9 | Very low | 180 Ų | 180 | 158.9 Ų | 158.9 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | trans | -92.8 | 126.8 | 138.9 | -87.7 | 93 | 0 | 0 | 0 | 108.5 | ||||
| 381 | A | 34.6 | Very low | 30 | Very low | 102 Ų | 102 | 164 Ų | 164 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -177.6 | 121.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 382 | G | 30.8 | Very low | 30.1 | Very low | 74 Ų | 74 | 162.9 Ų | 162.9 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | trans | 58.2 | 152.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 383 | T | 35 | Very low | 30 | Very low | 145 Ų | 145 | 159.3 Ų | 159.3 | 89% | 0.89 | 85% | 0.85 | S | S | * | * | cis | -156.8 | 176 | -6.6 | 9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 384 | T | 34.3 | Very low | 30.1 | Very low | 138 Ų | 138 | 155.1 Ų | 155.1 | 85% | 0.847 | 85% | 0.852 | S | S | * | * | trans | -71.2 | 170.3 | -165.1 | 32.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 385 | P | 33.9 | Very low | 30 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 74% | 0.74 | 85% | 0.849 | S | S | * | * | trans | -105.5 | 161.3 | -155 | 40.2 | -35.2 | 0 | 0 | 0 | 115.4 | ||||
| 386 | E | 34.7 | Very low | 30 | Very low | 204 Ų | 204 | 148.1 Ų | 148.1 | 95% | 0.953 | 84% | 0.841 | S | S | * | * | trans | -173 | 163.1 | 143.9 | -113.1 | 171.5 | -152.8 | 0 | 0 | 112.3 | ||||
| 387 | G | 30.8 | Very low | 29.8 | Very low | 64 Ų | 64 | 148.6 Ų | 148.6 | 66% | 0.66 | 84% | 0.839 | S | S | * | * | trans | 98.6 | 91.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 388 | H | 34 | Very low | 29.7 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | 64.7 | 104.1 | 141.6 | -66.5 | -72.9 | 0 | 0 | 0 | 123.8 | ||||
| 389 | R | 27.2 | Very low | 29.3 | Very low | 257 Ų | 257 | 146 Ų | 146 | 97% | 0.97 | 83% | 0.833 | S | S | * | * | trans | -0 | 109.9 | 141 | -64.3 | 177.5 | 175.7 | 175.1 | -1.3 | 118.3 | ||||
| 390 | G | 30.3 | Very low | 28.9 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -126.3 | 125.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A392 | G390-A392 PolarHBondContact O-N 3.34Š| ||
| 391 | R | 24.2 | Very low | 28.8 | Very low | 263 Ų | 263 | 139 Ų | 139 | 99% | 0.992 | 81% | 0.805 | S | S | * | * | trans | -88.6 | 102.9 | -173.4 | -151.4 | -180 | -167.4 | 177.7 | 2.5 | 109.7 | ||||
| 392 | A | 28.1 | Very low | 28.4 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -121.3 | 136.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G390 S394 | G390-A392 PolarHBondContact O-N 3.34Å; A392-S394 PolarHBondContact O-N 3.33Å | ||
| 393 | A | 23.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 118.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 394 | S | 27.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 117.8 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | A392 S396 | A392-S394 PolarHBondContact O-N 3.33Å; S394-S396 PolarHBondContact O-N 2.82Å |
| 395 | K | 24.4 | Very low | 27.3 | Very low | 199 Ų | 199 | 144.4 Ų | 144.4 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 118.7 | 165.7 | -73.6 | -179.1 | 176.4 | 178.6 | 0 | 108.4 | T397 | K395-T397 PolarHBondContact O-N 3.26Å; K395-T397 VanDerWaalsContact O-N 3.09Å |
| 396 | S | 25.5 | Very low | 27 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -80.9 | 89.2 | -173.8 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | S394 K398 | S394-S396 PolarHBondContact O-N 2.82Å; S396-K398 PolarHBondContact O-N 2.91Å; S396-K398 VanDerWaalsContact O-N 3.14Å | ||
| 397 | T | 26.2 | Very low | 26.8 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -74.5 | 100.1 | 168.2 | -47.6 | 0 | 0 | 0 | 0 | 110.1 | K395 L399 | K395-T397 PolarHBondContact O-N 3.26Å; K395-T397 VanDerWaalsContact O-N 3.09Å; T397-L399 PolarHBondContact O-N 3.12Å; T397-L399 VanDerWaalsContact O-N 3.11Å | ||
| 398 | K | 24.5 | Very low | 26.8 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 98.2 | 176.2 | -81.9 | -175.7 | 175.1 | 176.8 | 0 | 111.6 | S396 I400 | S396-K398 PolarHBondContact O-N 2.91Å; S396-K398 VanDerWaalsContact O-N 3.14Å; K398-I400 PolarHBondContact O-N 3.12Å | ||
| 399 | L | 24.5 | Very low | 26.5 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -70.3 | 100.2 | 165.1 | -94.4 | 138.5 | 0 | 0 | 0 | 110.6 | T397 T401 | T397-L399 PolarHBondContact O-N 3.12Å; T397-L399 VanDerWaalsContact O-N 3.11Å; L399-T401 PolarHBondContact O-N 3.01Å | ||
| 400 | I | 26.1 | Very low | 26.7 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 67% | 0.672 | 79% | 0.791 | S | S | * | * | trans | -82.4 | 109.8 | 170.5 | -59.1 | 178.6 | 0 | 0 | 0 | 108.6 | K398 V402 | K398-I400 PolarHBondContact O-N 3.12Å; I400-V402 HydrophobicContact CG2-CG2 4.04Å | ||
| 401 | T | 24.7 | Very low | 26.5 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 55% | 0.552 | 79% | 0.787 | S | S | * | * | trans | -92.4 | 118.4 | 171.3 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | L399 | L399-T401 PolarHBondContact O-N 3.01Š| ||
| 402 | V | 26.4 | Very low | 26.6 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | trans | -106 | 119.6 | 170.7 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | I400 | I400-V402 HydrophobicContact CG2-CG2 4.04Š| ||
| 403 | N | 23.7 | Very low | 26.6 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -86.7 | 135.7 | 178.4 | -153.7 | 11.4 | 0 | 0 | 0 | 109 | ||||
| 404 | L | 28 | Very low | 26.9 | Very low | 133 Ų | 133 | 148 Ų | 148 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | -139.8 | 113.9 | 176.9 | -79.4 | 175.3 | 0 | 0 | 0 | 110.8 | ||||
| 405 | E | 25.8 | Very low | 26.9 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -73.1 | 157.3 | -175.8 | -62.3 | 178.2 | 150 | 0 | 0 | 113.3 | ||||
| 406 | S | 26.1 | Very low | 27.1 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -93 | 135.7 | -177.6 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 407 | R | 30.7 | Very low | 27.3 | Very low | 240 Ų | 240 | 148.5 Ų | 148.5 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -131.3 | 132.5 | 149.1 | -73.9 | -164.1 | 175.5 | -163.4 | -1.8 | 111.5 | ||||
| 408 | R | 30.8 | Very low | 27.4 | Very low | 236 Ų | 236 | 150.4 Ų | 150.4 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -23.3 | 139.7 | -178.7 | -65.3 | 167 | 172.5 | 162 | -3.5 | 117.6 | ||||
| 409 | A | 27.2 | Very low | 27.9 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 130.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 410 | L | 31.3 | Very low | 28.4 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 145.7 | 174.9 | -96.5 | 158.7 | 0 | 0 | 0 | 110.3 | ||
| 411 | T | 27.7 | Very low | 28.7 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 140.1 | -171.4 | -28.1 | 0 | 0 | 0 | 0 | 115.2 | D413 | T411-D413 HydrophobicContact CG2-CB 4.4Š|
| 412 | L | 26.4 | Very low | 29 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -107.2 | 63.3 | 169.5 | -152.6 | 154.1 | 0 | 0 | 0 | 109.8 | L415 | L412-L415 HydrophobicContact CD2-CD1 4.42Š| ||
| 413 | D | 28.1 | Very low | 29.1 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -89.7 | 115.8 | 164.6 | -89.6 | -38.9 | 0 | 0 | 0 | 108.9 | T411 | T411-D413 HydrophobicContact CG2-CB 4.4Š| ||
| 414 | K | 29.9 | Very low | 29.5 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 142.2 | 80.9 | 162.3 | -81.8 | 167.2 | -178.3 | -176.8 | 0 | 111 | ||||
| 415 | L | 27.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 145 Ų | 145 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -128.8 | 35.9 | 164.8 | -99.5 | 170.8 | 0 | 0 | 0 | 112 | L412 | L412-L415 HydrophobicContact CD2-CD1 4.42Š| ||
| 416 | F | 28.1 | Very low | 29.6 | Very low | 210 Ų | 210 | 143 Ų | 143 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -147.2 | 128.7 | 167.6 | -69.8 | -73.4 | 0 | 0 | 0 | 109.9 | ||
| 417 | G | 29.3 | Very low | 29.6 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | 116.3 | 80.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 418 | N | 29 | Very low | 29.5 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 44.6 | 139.3 | 145.3 | -58.1 | -7.9 | 0 | 0 | 0 | 123.6 | ||||
| 419 | P | 34.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -84.4 | 179.7 | 167.6 | 41.3 | -38.3 | 0 | 0 | 0 | 111.4 | ||||
| 420 | P | 34.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | cis | -148 | -172.2 | 24.5 | 45.3 | -24.3 | 0 | 0 | 0 | 119.3 | ||||
| 421 | N | 31.8 | Very low | 29.6 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 92.7 | 120.1 | 152.3 | -68.9 | -8.6 | 0 | 0 | 0 | 123.2 | ||||
| 422 | S | 32.1 | Very low | 29.7 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 66.6 | 101.7 | 137.4 | 61.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 423 | S | 28.3 | Very low | 29.8 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | 52.8 | 108.4 | 122.9 | 66.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 424 | N | 31.6 | Very low | 30 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | 164.1 | 119.4 | 102 | -87.7 | -21.6 | 0 | 0 | 0 | 114.4 | |||||
| 425 | T | 27.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | 36.8 | 132 | 132.2 | 7.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 426 | L | 28.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 104.5 | 118 | 139.6 | -67.4 | 165.7 | 0 | 0 | 0 | 122.5 | ||||
| 427 | Q | 26.9 | Very low | 30.1 | Very low | 169 Ų | 169 | 128.1 Ų | 128.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 66 | 107.3 | 134.8 | -74.8 | 176.7 | -25.4 | 0 | 0 | 123.8 | ||||
| 428 | A | 28.3 | Very low | 30.1 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | 42.7 | 125.6 | 117.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 429 | S | 30.5 | Very low | 30.1 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | -177.6 | 172.5 | 105.6 | 43.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 430 | N | 28 | Very low | 29.9 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -77.7 | 167.2 | -167.2 | -54.7 | -54.2 | 0 | 0 | 0 | 115.1 | ||||
| 431 | I | 33.9 | Very low | 29.5 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -166.2 | 163.7 | 134.8 | -95.9 | 147.7 | 0 | 0 | 0 | 110.1 | ||||
| 432 | N | 28.8 | Very low | 29.2 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -97.6 | 171.2 | -151.6 | -71 | -49.9 | 0 | 0 | 0 | 118.6 | ||||
| 433 | L | 28.3 | Very low | 28.9 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -41.4 | -178.7 | 159.8 | -69.2 | 155.9 | 0 | 0 | 0 | 116.6 | ||||
| 434 | P | 32.7 | Very low | 28.9 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -143 | 171.6 | 13.6 | 34.6 | -10.5 | 0 | 0 | 0 | 120.5 | ||||
| 435 | D | 26.4 | Very low | 28.8 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 20 | 152.9 | 143.5 | -57 | -31 | 0 | 0 | 0 | 127.9 | ||||
| 436 | S | 28.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 152.4 | 153.4 | 80.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 437 | S | 32.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | cis | -150 | -167.8 | 2.4 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 438 | E | 27.7 | Very low | 28.8 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -81.9 | 172.1 | -162 | -57.9 | 170.8 | 114.1 | 0 | 0 | 118.4 | ||||
| 439 | S | 29 | Very low | 29 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 91.9 | 163.7 | 153.4 | 88.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 440 | M | 30.5 | Very low | 29 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | cis | -130.7 | -137.1 | 9.4 | -125.9 | -149.5 | -168.1 | 0 | 0 | 115.1 | ||||
| 441 | L | 26.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -130.1 | 160 | -162.6 | -73.5 | 157.3 | 0 | 0 | 0 | 112.9 | ||||
| 442 | L | 26.2 | Very low | 29 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | 23.9 | 136.2 | 147.1 | -79.7 | 128.7 | 0 | 0 | 0 | 120.4 | ||||
| 443 | S | 26.8 | Very low | 29 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | 176.6 | 151.2 | 74.9 | 44.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 444 | S | 26.4 | Very low | 29.2 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 63.9 | 157.6 | 139.5 | 62.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 445 | M | 31.2 | Very low | 29 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 86.6 | 140.1 | 164.9 | -60.9 | -174.8 | 172.9 | 0 | 0 | 117.1 | ||||
| 446 | E | 27.9 | Very low | 29.3 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | cis | -176.6 | 172.2 | -29.9 | -125.2 | 174.6 | 169.5 | 0 | 0 | 104.7 | ||||
| 447 | E | 25 | Very low | 29.3 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -81.4 | 147.9 | -164.9 | -55.4 | 178 | 133.9 | 0 | 0 | 115.2 | ||||
| 448 | C | 29.8 | Very low | 29.2 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -167.4 | 134.5 | 139 | -102 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 449 | P | 31.1 | Very low | 29.3 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -97.7 | 145 | 176.7 | 36.1 | -31.8 | 0 | 0 | 0 | 113 | ||||
| 450 | G | 31.8 | Very low | 29.1 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -172.8 | 128.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 451 | S | 29.4 | Very low | 29.1 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -48.5 | 155.1 | 164.5 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 452 | S | 31.1 | Very low | 29.2 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | cis | -169 | 156.8 | 14.6 | 30.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 453 | Q | 30.5 | Very low | 29.2 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | 45.1 | 108.1 | 151.4 | -62.7 | -177.7 | 14.6 | 0 | 0 | 120.1 | ||||
| 454 | S | 30.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 88% | 0.881 | 84% | 0.837 | S | S | * | * | -164.1 | 171.8 | 121.9 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 455 | T | 28.5 | Very low | 29.8 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 88% | 0.877 | 84% | 0.842 | S | S | * | * | trans | -96.4 | 130.4 | -156.6 | 51 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 456 | A | 33.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 153 Ų | 153 | 90% | 0.901 | 84% | 0.835 | S | S | * | * | trans | -152.1 | 142.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 457 | S | 28.3 | Very low | 30.9 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -121.7 | 129.1 | -169.9 | 61 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 458 | R | 30.8 | Very low | 32.2 | Very low | 248 Ų | 248 | 140 Ų | 140 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | 157.6 | 159.8 | 147.3 | -93 | 168.3 | 176.1 | -161.8 | -0.4 | 111.3 | ||||
| 459 | P | 29.4 | Very low | 33.3 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | cis | -119.7 | 160.6 | -22.7 | 36 | -21.9 | 0 | 0 | 0 | 112.7 | ||||
| 460 | R | 26.1 | Very low | 34.2 | Very low | 246 Ų | 246 | 131.7 Ų | 131.7 | 93% | 0.928 | 72% | 0.72 | S | S | * | * | trans | -69.2 | 140.6 | 177.2 | -75.7 | 177.8 | 170.9 | 167.8 | -3.4 | 112 | ||||
| 461 | S | 30.4 | Very low | 35.2 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -67.7 | 135.9 | 167.5 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | R463 | S461-R463 PolarHBondContact O-N 3.46Š| ||
| 462 | V | 27.7 | Very low | 36.1 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | trans | -77.1 | 90.6 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | R464 | V462-R464 PolarHBondContact O-N 3.29Å; V462-R464 VanDerWaalsContact O-N 3.11Å | ||
| 463 | R | 26.6 | Very low | 37 | Very low | 227 Ų | 227 | 127 Ų | 127 | 86% | 0.857 | 65% | 0.651 | S | S | * | * | trans | -66.3 | 105 | 164.4 | -78.6 | -173.6 | 172.4 | -175.7 | -1.8 | 109 | S461 C465 | S461-R463 PolarHBondContact O-N 3.46Å; R463-C465 PolarHBondContact O-N 3.44Å | ||
| 464 | R | 31.3 | Very low | 37.8 | Very low | 230 Ų | 230 | 123 Ų | 123 | 87% | 0.868 | 64% | 0.64 | S | S | * | * | trans | -63.9 | 101.6 | 166.2 | -80.9 | -177.6 | 170.5 | 175.3 | -3 | 109.4 | V462 R466 | V462-R464 PolarHBondContact O-N 3.29Å; V462-R464 VanDerWaalsContact O-N 3.11Å; R464-R466 PolarHBondContact O-N 2.82Å | ||
| 465 | C | 33.7 | Very low | 38.2 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 78% | 0.784 | 63% | 0.633 | S | S | * | * | trans | -61.7 | 118.4 | 168.2 | -78.3 | 0 | 0 | 0 | 0 | 110 | R463 T467 | R463-C465 PolarHBondContact O-N 3.44Å; C465-T467 PolarHBondContact O-N 3.3Å; C465-T467 VanDerWaalsContact O-N 3.13Å | ||
| 466 | R | 41.1 | Very low | 38.5 | Very low | 177 Ų | 177 | 125.6 Ų | 125.6 | 67% | 0.668 | 63% | 0.633 | S | S | * | * | trans | -82.5 | 81.2 | 178.5 | -71.3 | 178.7 | 166.7 | 176.3 | -6.6 | 110.3 | R464 S468 | R464-R466 PolarHBondContact O-N 2.82Å; R466-S468 PolarHBondContact O-N 2.92Å | ||
| 467 | T | 42 | Very low | 38.7 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 39% | 0.393 | 62% | 0.62 | S | S | . | * | trans | -63.9 | 125.7 | 175.7 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | R138 C465 D471 | R138-T467 PolarHBondContact NH1-O 3.24Å; R138-T467 PolarHBondContact NH2-O 3.15Å; C465-T467 PolarHBondContact O-N 3.3Å; C465-T467 VanDerWaalsContact O-N 3.13Å; T467-D471 HydrophobicContact CG2-CB 4.48Å | ||
| 468 | S | 52 | Low | 39.2 | Very low | 27 Ų | 27 | 127.1 Ų | 127.1 | 19% | 0.189 | 61% | 0.61 | C | S | . | * | trans | -60.6 | 166 | -177.2 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | R466 L470 D471 Y472 | R466-S468 PolarHBondContact O-N 2.92Å; S468-L470 PolarHBondContact O-N 3.07Å; S468-L470 PolarHBondContact OG-N 2.81Å; S468-D471 VanDerWaalsContact CB-OD2 3.26Å; S468-D471 WeakPolarHBondContact CB-OD2 3.44Å; S468-D471 PolarHBondContact N-OD2 3.43Å; S468-D471 WeakPolarHBondContact O-CB 3.4Å; S468-D471 PolarHBondContact O-N 3.41Å; S468-D471 VanDerWaalsContact O-N 3.11Å; S468-D471 PolarHBondContact OG-N 3.09Å; S468-D471 VanDerWaalsContact OG-N 3.13Å; S468-D471 PolarHBondContact OG-OD2 2.98Å; S468-Y472 PolarHBondContact O-N 3.16Å | ||
| 469 | I | 53.3 | Low | 39.7 | Very low | 7 Ų | 7 | 120.3 Ų | 120.3 | 4% | 0.036 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -59.9 | -31.5 | 174.9 | -169.4 | 168 | 0 | 0 | 0 | 112.3 | L122 D136 R138 A145 Y472 F473 | L122-I469 HydrophobicContact CD1-CD1 4.23Å; L122-I469 HydrophobicContact CD2-CB 4.23Å; L122-I469 HydrophobicContact CD2-CD1 3.9Å; L122-I469 HydrophobicContact CD2-CG1 4.48Å; D136-I469 HydrophobicContact CB-CB 4.37Å; D136-I469 HydrophobicContact CB-CG2 3.85Å; D136-I469 WeakPolarHBondContact OD2-CB 3.36Å; D136-I469 VanDerWaalsContact OD2-CG2 3.31Å; D136-I469 WeakPolarHBondContact OD2-CG2 3.37Å; D136-I469 PolarHBondContact OD2-N 2.98Å; R138-I469 VanDerWaalsContact NH2-N 3.12Å; A145-I469 HydrophobicContact CB-CD1 4.2Å; A145-I469 HydrophobicContact CB-CG2 3.69Å; I469-Y472 PolarHBondContact O-N 3.04Å; I469-F473 HydrophobicContact CD1-CE2 3.65Å; I469-F473 HydrophobicContact CD1-CZ 4.22Å; I469-F473 HydrophobicContact CG1-CD2 3.77Å; I469-F473 HydrophobicContact CG1-CE2 3.3Å; I469-F473 HydrophobicContact CG1-CZ 4Å; I469-F473 VanDerWaalsContact O-CD2 3.25Å; I469-F473 WeakPolarHBondContact O-CD2 3.35Å; I469-F473 PolarHBondContact O-N 3.43Å; I469-F473 VanDerWaalsContact O-N 3.11Å |
| 470 | L | 49.9 | Very low | 40.3 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 41% | 0.414 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.4 | -43.9 | 172.5 | -73.6 | 156.3 | 0 | 0 | 0 | 111.4 | S468 Y472 F473 T474 | S468-L470 PolarHBondContact O-N 3.07Å; S468-L470 PolarHBondContact OG-N 2.81Å; L470-Y472 PolarHBondContact O-N 3.14Å; L470-F473 PolarHBondContact O-N 3.11Å; L470-T474 WeakPolarHBondContact O-CB 3.48Å; L470-T474 VanDerWaalsContact O-CG2 3.28Å; L470-T474 WeakPolarHBondContact O-CG2 3.32Å; L470-T474 PolarHBondContact O-N 3.17Å; L470-T474 PolarHBondContact O-OG1 3.41Å |
| 471 | D | 52.6 | Low | 41.2 | Very low | 63 Ų | 63 | 112.4 Ų | 112.4 | 34% | 0.337 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -30.9 | 175.8 | -61.5 | -58 | 0 | 0 | 0 | 112.7 | T467 S468 T474 R475 | T467-D471 HydrophobicContact CG2-CB 4.48Å; S468-D471 VanDerWaalsContact CB-OD2 3.26Å; S468-D471 WeakPolarHBondContact CB-OD2 3.44Å; S468-D471 PolarHBondContact N-OD2 3.43Å; S468-D471 WeakPolarHBondContact O-CB 3.4Å; S468-D471 PolarHBondContact O-N 3.41Å; S468-D471 VanDerWaalsContact O-N 3.11Å; S468-D471 PolarHBondContact OG-N 3.09Å; S468-D471 VanDerWaalsContact OG-N 3.13Å; S468-D471 PolarHBondContact OG-OD2 2.98Å; D471-T474 WeakPolarHBondContact CA-OG1 3.24Å; D471-T474 PolarHBondContact O-OG1 3.36Å; D471-R475 WeakPolarHBondContact O-CD 3.31Å; D471-R475 VanDerWaalsContact O-CG 3.25Å; D471-R475 WeakPolarHBondContact O-CG 3.25Å |
| 472 | Y | 49.2 | Very low | 41.9 | Very low | 86 Ų | 86 | 112.8 Ų | 112.8 | 34% | 0.337 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74 | -41.7 | 177.5 | -174.1 | -98 | 0 | 0 | 0 | 112.1 | R192 S468 I469 L470 | R192-Y472 PolarHBondContact NH2-OH 2.91Å; S468-Y472 PolarHBondContact O-N 3.16Å; I469-Y472 PolarHBondContact O-N 3.04Å; L470-Y472 PolarHBondContact O-N 3.14Å |
| 473 | F | 49.6 | Very low | 42.9 | Very low | 51 Ų | 51 | 111.1 Ų | 111.1 | 22% | 0.224 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -83 | -11.8 | 179.2 | -64.2 | -41.6 | 0 | 0 | 0 | 114.9 | I146 L191 R192 I469 L470 | I146-F473 HydrophobicContact CD1-CE2 4.03Å; I146-F473 HydrophobicContact CD1-CZ 4.45Å; L191-F473 HydrophobicContact CB-CZ 4.01Å; R192-F473 HydrophobicContact CG-CD1 3.99Å; R192-F473 HydrophobicContact CG-CE1 3.66Å; I469-F473 HydrophobicContact CD1-CE2 3.65Å; I469-F473 HydrophobicContact CD1-CZ 4.22Å; I469-F473 HydrophobicContact CG1-CD2 3.77Å; I469-F473 HydrophobicContact CG1-CE2 3.3Å; I469-F473 HydrophobicContact CG1-CZ 4Å; I469-F473 VanDerWaalsContact O-CD2 3.25Å; I469-F473 WeakPolarHBondContact O-CD2 3.35Å; I469-F473 PolarHBondContact O-N 3.43Å; I469-F473 VanDerWaalsContact O-N 3.11Å; L470-F473 PolarHBondContact O-N 3.11Å |
| 474 | T | 45.9 | Very low | 44.2 | Very low | 106 Ų | 106 | 102.2 Ų | 102.2 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -6.1 | 175.8 | 48.3 | 0 | 0 | 0 | 0 | 113.8 | L470 D471 | L470-T474 WeakPolarHBondContact O-CB 3.48Å; L470-T474 VanDerWaalsContact O-CG2 3.28Å; L470-T474 WeakPolarHBondContact O-CG2 3.32Å; L470-T474 PolarHBondContact O-N 3.17Å; L470-T474 PolarHBondContact O-OG1 3.41Å; D471-T474 WeakPolarHBondContact CA-OG1 3.24Å; D471-T474 PolarHBondContact O-OG1 3.36Å |
| 475 | R | 40.9 | Very low | 45.3 | Very low | 198 Ų | 198 | 91.6 Ų | 91.6 | 75% | 0.747 | 47% | 0.471 | S | S | * | . | trans | -109.8 | 9 | -175.2 | -69.8 | -178.1 | -179.4 | -148.4 | -0.6 | 114.8 | D471 | D471-R475 WeakPolarHBondContact O-CD 3.31Å; D471-R475 VanDerWaalsContact O-CG 3.25Å; D471-R475 WeakPolarHBondContact O-CG 3.25Å | ||
| 476 | S | 33.1 | Very low | 46.3 | Very low | 125 Ų | 125 | 89.4 Ų | 89.4 | 87% | 0.874 | 44% | 0.443 | S | S | * | . | trans | -151.6 | 0 | 175.7 | 70.9 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 476 of 476 residues in 353.4 ms
(Link to these results)