| 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 | 28.8 | Very low | 46.8 | Very low | 209 Ų | 209 | 88.6 Ų | 88.6 | 100% | 1.03 | 40% | 0.401 | S | S | * | . | 0 | 114.6 | 0 | -173.3 | 173.4 | -84.5 | 0 | 0 | 105.8 | I97 | M1-I97 HydrophobicContact CB-CD1 4.32Š| |||
| 2 | K | 29.7 | Very low | 50.1 | Low | 143 Ų | 143 | 87.5 Ų | 87.5 | 62% | 0.622 | 41% | 0.408 | S | S | * | . | trans | -58.3 | 127.9 | -160.4 | -95.3 | -175.8 | 173.2 | -172.8 | 0 | 112.1 | E156 | K2-E156 IonicContact NZ-OE2 3.01Å; K2-E156 PolarHBondContact NZ-OE2 2.84Å | ||
| 3 | L | 30.8 | Very low | 53.2 | Low | 52 Ų | 52 | 81.5 Ų | 81.5 | 27% | 0.272 | 38% | 0.381 | S | S | . | . | trans | -132.4 | 49.5 | -174.4 | -115.3 | 152 | 0 | 0 | 0 | 111.3 | H100 | L3-H100 VanDerWaalsContact CB-CD2 3.47Å; L3-H100 WeakPolarHBondContact CB-CD2 3.34Å; L3-H100 VanDerWaalsContact CB-NE2 3.32Å; L3-H100 WeakPolarHBondContact CB-NE2 3.27Å; L3-H100 HydrophobicContact CD1-CB 3.23Å; L3-H100 WeakPolarHBondContact CD1-CD2 3.29Å; L3-H100 HydrophobicContact CD2-CB 3.73Å; L3-H100 WeakPolarHBondContact CD2-CE1 3.21Å; L3-H100 WeakPolarHBondContact CD2-ND1 3.46Å; L3-H100 HydrophobicContact CG-CB 3.92Å; L3-H100 PolarHBondContact O-CE1 2.84Å | ||
| 4 | E | 34.7 | Very low | 55.9 | Low | 46 Ų | 46 | 84 Ų | 84 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | trans | -146.8 | 139.2 | -171.5 | -61.8 | 168.4 | -165.3 | 0 | 0 | 109.2 | V202 G203 | E4-V202 HydrophobicContact CB-CB 3.92Å; E4-V202 HydrophobicContact CB-CG1 4.36Å; E4-V202 HydrophobicContact CB-CG2 3.47Å; E4-V202 VanDerWaalsContact CB-CG2 3.47Å; E4-V202 WeakPolarHBondContact O-CG2 3.34Å; E4-V202 VanDerWaalsContact OE2-CA 3.3Å; E4-V202 WeakPolarHBondContact OE2-CA 3.3Å; E4-V202 WeakPolarHBondContact OE2-CG1 3.3Å; E4-G203 PolarHBondContact OE2-N 2.98Å | ||
| 5 | Y | 34.9 | Very low | 58.2 | Low | 133 Ų | 133 | 83.5 Ų | 83.5 | 52% | 0.522 | 40% | 0.399 | S | S | . | . | trans | -133.5 | 170.3 | -177.8 | -58.7 | -90.3 | 0 | 0 | 0 | 110.1 | P200 D201 A223 | Y5-P200 CarbonylContact C-O 3.54Å; Y5-P200 CarbonylContact O-C 3.46Å; Y5-P200 VanDerWaalsContact O-C 3.32Å; Y5-D201 VanDerWaalsContact C-CA 3.46Å; Y5-D201 CarbonylContact O-C 3.46Å; Y5-D201 WeakPolarHBondContact O-CA 3.01Å; Y5-D201 PolarHBondContact O-N 2.03Å; Y5-A223 HydrophobicContact CD2-CB 4.02Å; Y5-A223 WeakPolarHBondContact CD2-O 3.26Å; Y5-A223 HydrophobicContact CG-CB 4.39Å | ||
| 6 | R | 42.2 | Very low | 60.2 | Low | 92 Ų | 92 | 80 Ų | 80 | 35% | 0.347 | 39% | 0.391 | S | S | . | . | -111.9 | 129.1 | -117.6 | -42 | -175.4 | -167.1 | -178.8 | -7.7 | 125.9 | Q8 K158 G199 P200 D201 Y228 | R6-Q8 HydrophobicContact CB-CG 3.6Å; R6-Q8 PolarHBondContact O-N 2.72Å; R6-K158 VanDerWaalsContact CD-CE 3.42Å; R6-K158 HydrophobicContact CG-CD 4.46Å; R6-K158 VanDerWaalsContact NE-CE 3.33Å; R6-G199 CarbonylContact C-O 3.5Å; R6-G199 CarbonylContact O-C 2.93Å; R6-P200 CarbonylContact C-O 3.58Å; R6-P200 WeakPolarHBondContact CA-O 3.46Å; R6-P200 PolarHBondContact N-O 3.16Å; R6-D201 VanDerWaalsContact CA-OD1 3.3Å; R6-D201 WeakPolarHBondContact CA-OD1 3.08Å; R6-D201 WeakPolarHBondContact CA-OD2 3.29Å; R6-D201 HydrophobicContact CB-CB 4.1Å; R6-D201 WeakPolarHBondContact CB-OD2 3.34Å; R6-D201 VanDerWaalsContact CG-CG 3.48Å; R6-D201 VanDerWaalsContact CG-OD1 3.25Å; R6-D201 WeakPolarHBondContact CG-OD1 3.32Å; R6-D201 WeakPolarHBondContact CG-OD2 3.41Å; R6-Y228 PolarHBondContact O-OH 3Å | |||
| 7 | I | 50.2 | Low | 62 | Low | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | trans | -73.9 | 86.3 | 154.6 | -56.6 | -178.7 | 0 | 0 | 0 | 108.5 | V151 G199 P200 D201 D204 | I7-V151 HydrophobicContact CD1-CG2 4Å; I7-V151 HydrophobicContact CG1-CG2 4.33Å; I7-G199 WeakPolarHBondContact CA-O 2.98Å; I7-G199 WeakPolarHBondContact CB-O 3.35Å; I7-G199 VanDerWaalsContact CG1-O 3.23Å; I7-G199 WeakPolarHBondContact CG1-O 3.32Å; I7-G199 PolarHBondContact N-O 3.03Å; I7-P200 HydrophobicContact CG1-CB 4.48Å; I7-P200 PolarHBondContact N-O 3.11Å; I7-D201 VanDerWaalsContact N-CA 3.34Å; I7-D204 HydrophobicContact CD1-CB 4.08Å; I7-D204 VanDerWaalsContact CD1-OD2 3.25Å; I7-D204 WeakPolarHBondContact CD1-OD2 3.36Å; I7-D204 HydrophobicContact CG1-CB 4.46Å; I7-D204 WeakPolarHBondContact CG1-OD2 3.28Å | ||
| 8 | Q | 53 | Low | 63.8 | Low | 76 Ų | 76 | 78.8 Ų | 78.8 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | trans | -85.8 | 131.6 | 171.5 | -60.4 | 176.2 | 45.9 | 0 | 0 | 108.4 | R6 G10 Q198 | R6-Q8 HydrophobicContact CB-CG 3.6Å; R6-Q8 PolarHBondContact O-N 2.72Å; Q8-G10 VanDerWaalsContact C-N 3.3Å; Q8-G10 PolarHBondContact O-N 3.36Å; Q8-Q198 VanDerWaalsContact O-CA 3.28Å; Q8-Q198 WeakPolarHBondContact O-CA 3.45Å; Q8-Q198 WeakPolarHBondContact O-CG 3.29Å | ||
| 9 | N | 56.6 | Low | 65.5 | Low | 86 Ų | 86 | 75.6 Ų | 75.6 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 61 | 33 | 172.7 | -45.4 | -58.6 | 0 | 0 | 0 | 114.5 | D157 Q198 | N9-D157 PolarHBondContact N-OD2 2.98Å; N9-Q198 HydrophobicContact CB-CG 4.31Å; N9-Q198 PolarHBondContact O-NE2 3.29Å |
| 10 | G | 71.5 | Confident | 67.1 | Low | 7 Ų | 7 | 72.7 Ų | 72.7 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 153.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q8 L169 | Q8-G10 VanDerWaalsContact C-N 3.3Å; Q8-G10 PolarHBondContact O-N 3.36Å; G10-L169 CarbonylContact C-O 3.58Å; G10-L169 WeakPolarHBondContact CA-O 3.43Å |
| 11 | Y | 82.4 | Confident | 68.6 | Low | 129 Ų | 129 | 69.5 Ų | 69.5 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128.3 | 176.9 | -58.7 | -82.2 | 0 | 0 | 0 | 110.2 | V13 R168 L169 I171 | Y11-V13 PolarHBondContact O-N 2.94Å; Y11-R168 CarbonylContact O-C 3.54Å; Y11-R168 VanDerWaalsContact O-CA 3.31Å; Y11-R168 WeakPolarHBondContact O-CA 3.42Å; Y11-L169 PolarHBondContact N-O 2.9Å; Y11-L169 PolarHBondContact O-N 3.13Å; Y11-I171 HydrophobicContact CE2-CD1 4.09Å |
| 12 | P | 86.8 | Confident | 71.9 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 132.8 | 170.1 | -25.8 | 35.2 | 0 | 0 | 0 | 111.1 | ||
| 13 | V | 90.2 | Very high | 75.1 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 140.7 | 178.3 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | Y11 E17 F18 T61 L152 L167 L169 | Y11-V13 PolarHBondContact O-N 2.94Å; V13-E17 HydrophobicContact CG1-CB 4.05Å; V13-F18 HydrophobicContact CB-CD2 4.42Å; V13-F18 HydrophobicContact CG1-CD2 3.62Å; V13-F18 HydrophobicContact CG1-CE2 4.27Å; V13-F18 HydrophobicContact CG2-CD2 3.88Å; V13-F18 HydrophobicContact CG2-CE2 3.96Å; V13-T61 WeakPolarHBondContact O-CG2 3.37Å; V13-L152 HydrophobicContact CG2-CD2 3.63Å; V13-L167 HydrophobicContact CB-CB 4.3Å; V13-L167 HydrophobicContact CB-CD2 3.99Å; V13-L167 HydrophobicContact CB-CG 3.85Å; V13-L167 HydrophobicContact CG1-CD2 3.75Å; V13-L167 HydrophobicContact CG1-CG 4.18Å; V13-L167 HydrophobicContact CG2-CD2 4.37Å; V13-L167 HydrophobicContact CG2-CG 3.93Å; V13-L167 PolarHBondContact N-O 2.99Å; V13-L167 VanDerWaalsContact N-O 3.11Å; V13-L169 HydrophobicContact CG2-CB 4.07Å |
| 14 | N | 91 | Very high | 78.3 | Confident | 116 Ų | 116 | 50.3 Ų | 50.3 | 62% | 0.62 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -84.1 | 150.9 | 172.1 | -63.5 | -69.1 | 0 | 0 | 0 | 111.6 | G16 E17 | N14-G16 PolarHBondContact O-N 2.89Å; N14-E17 PolarHBondContact N-OE2 3.28Å; N14-E17 VanDerWaalsContact O-CB 3.26Å; N14-E17 WeakPolarHBondContact O-CB 3.42Å; N14-E17 PolarHBondContact O-N 3.14Å; N14-E17 VanDerWaalsContact O-N 3.14Å |
| 15 | L | 89.7 | Confident | 81.2 | Confident | 77 Ų | 77 | 49.2 Ų | 49.2 | 40% | 0.403 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 130.1 | 176.4 | -170.5 | 68.2 | 0 | 0 | 0 | 110.5 | E17 N59 T61 W124 | L15-E17 VanDerWaalsContact C-N 3.34Å; L15-N59 WeakPolarHBondContact CD1-O 3.26Å; L15-T61 HydrophobicContact CB-CG2 4.26Å; L15-T61 HydrophobicContact CD1-CG2 4.25Å; L15-W124 HydrophobicContact CD2-CZ3 3.89Å |
| 16 | G | 89.9 | Confident | 83.9 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -4.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N14 G123 | N14-G16 PolarHBondContact O-N 2.89Å; G16-G123 WeakPolarHBondContact CA-O 3.41Å |
| 17 | E | 91.7 | Very high | 86.2 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -70.4 | -39.8 | 177.9 | -170.2 | 174.9 | 177 | 0 | 0 | 112 | V13 N14 L15 | V13-E17 HydrophobicContact CG1-CB 4.05Å; N14-E17 PolarHBondContact N-OE2 3.28Å; N14-E17 VanDerWaalsContact O-CB 3.26Å; N14-E17 WeakPolarHBondContact O-CB 3.42Å; N14-E17 PolarHBondContact O-N 3.14Å; N14-E17 VanDerWaalsContact O-N 3.14Å; L15-E17 VanDerWaalsContact C-N 3.34Å |
| 18 | F | 94.6 | Very high | 88 | Confident | 46 Ų | 46 | 52.1 Ų | 52.1 | 20% | 0.202 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -128.1 | 72.3 | 177.6 | -59.8 | -68.8 | 0 | 0 | 0 | 111 | V13 M20 I21 L152 L169 | V13-F18 HydrophobicContact CB-CD2 4.42Å; V13-F18 HydrophobicContact CG1-CD2 3.62Å; V13-F18 HydrophobicContact CG1-CE2 4.27Å; V13-F18 HydrophobicContact CG2-CD2 3.88Å; V13-F18 HydrophobicContact CG2-CE2 3.96Å; F18-M20 VanDerWaalsContact C-SD 3.55Å; F18-M20 HydrophobicContact CB-CE 3.75Å; F18-M20 HydrophobicContact CB-SD 4.08Å; F18-M20 HydrophobicContact CD1-CE 3.8Å; F18-M20 HydrophobicContact CG-CE 4.2Å; F18-M20 PolarHBondContact O-N 3.16Å; F18-I21 HydrophobicContact CB-CG1 3.78Å; F18-I21 PolarHBondContact O-N 3.47Å; F18-I21 VanDerWaalsContact O-N 3.17Å; F18-L152 HydrophobicContact CB-CD1 3.58Å; F18-L152 HydrophobicContact CD1-CD1 3.57Å; F18-L152 HydrophobicContact CD2-CD1 3.46Å; F18-L152 VanDerWaalsContact CD2-CD1 3.46Å; F18-L152 HydrophobicContact CD2-CD2 3.74Å; F18-L152 HydrophobicContact CD2-CG 4.26Å; F18-L152 HydrophobicContact CE1-CD1 4.02Å; F18-L152 HydrophobicContact CE2-CD1 3.97Å; F18-L152 HydrophobicContact CE2-CD2 3.86Å; F18-L152 HydrophobicContact CE2-CG 4.47Å; F18-L152 HydrophobicContact CG-CD1 3.23Å; F18-L152 HydrophobicContact CG-CD2 4.38Å; F18-L152 HydrophobicContact CG-CG 4.45Å; F18-L152 HydrophobicContact CZ-CD1 4.21Å; F18-L169 HydrophobicContact CE2-CD1 3.92Å; F18-L169 HydrophobicContact CZ-CD1 3.76Å; F18-L169 HydrophobicContact CZ-CD2 4.4Å |
| 19 | P | 96.4 | Very high | 89.7 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -4.7 | -167.9 | 28.7 | -35.8 | 0 | 0 | 0 | 114.7 | W124 I125 E126 | P19-W124 VanDerWaalsContact CB-C 3.49Å; P19-W124 WeakPolarHBondContact CB-O 3.47Å; P19-I125 VanDerWaalsContact O-CA 3.28Å; P19-I125 WeakPolarHBondContact O-CA 3.28Å; P19-E126 HydrophobicContact CB-CB 4.19Å; P19-E126 HydrophobicContact CB-CG 4.01Å; P19-E126 HydrophobicContact CG-CB 3.86Å; P19-E126 HydrophobicContact CG-CG 3.73Å; P19-E126 PolarHBondContact O-N 3.23Å; P19-E126 VanDerWaalsContact O-N 3.07Å |
| 20 | M | 97.5 | Very high | 91.4 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.4 | 176.5 | 66.6 | -69.7 | 174.7 | 0 | 0 | 113.6 | F18 T34 I35 E126 L152 F210 | F18-M20 VanDerWaalsContact C-SD 3.55Å; F18-M20 HydrophobicContact CB-CE 3.75Å; F18-M20 HydrophobicContact CB-SD 4.08Å; F18-M20 HydrophobicContact CD1-CE 3.8Å; F18-M20 HydrophobicContact CG-CE 4.2Å; F18-M20 PolarHBondContact O-N 3.16Å; M20-T34 HydrophobicContact CB-CG2 4.18Å; M20-T34 HydrophobicContact CG-CG2 3.89Å; M20-T34 CarbonylContact O-C 3.29Å; M20-T34 WeakPolarHBondContact O-CA 3.19Å; M20-I35 WeakPolarHBondContact O-CG1 3.28Å; M20-I35 PolarHBondContact O-N 3.11Å; M20-E126 VanDerWaalsContact CA-O 3.3Å; M20-E126 WeakPolarHBondContact CA-O 3.27Å; M20-E126 WeakPolarHBondContact CB-O 2.92Å; M20-L152 HydrophobicContact CE-CD1 4.29Å; M20-F210 HydrophobicContact CE-CD1 4.41Å; M20-F210 HydrophobicContact CE-CE1 3.33Å; M20-F210 HydrophobicContact CE-CE2 4.13Å; M20-F210 HydrophobicContact CE-CZ 3.14Å |
| 21 | I | 97.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 138 | -175.1 | -57.9 | -58.8 | 0 | 0 | 0 | 111 | F18 T32 L152 F154 L167 P208 F210 | F18-I21 HydrophobicContact CB-CG1 3.78Å; F18-I21 PolarHBondContact O-N 3.47Å; F18-I21 VanDerWaalsContact O-N 3.17Å; I21-T32 HydrophobicContact CG2-CG2 3.75Å; I21-L152 HydrophobicContact CD1-CB 4.24Å; I21-L152 HydrophobicContact CD1-CD1 3.94Å; I21-L152 HydrophobicContact CG1-CD1 3.78Å; I21-F154 HydrophobicContact CG2-CD2 4.49Å; I21-F154 HydrophobicContact CG2-CE2 3.74Å; I21-F154 HydrophobicContact CG2-CZ 4.44Å; I21-L167 HydrophobicContact CB-CD2 4.41Å; I21-L167 HydrophobicContact CG2-CD1 3.85Å; I21-L167 HydrophobicContact CG2-CD2 4.17Å; I21-P208 HydrophobicContact CD1-CG 3.29Å; I21-F210 HydrophobicContact CD1-CZ 4.07Å |
| 22 | V | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.8 | 175.4 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | L24 T32 G33 I35 I41 V56 Y57 A58 F118 | V22-L24 HydrophobicContact CG2-CD2 3.87Å; V22-L24 HydrophobicContact CG2-CG 4.41Å; V22-T32 WeakPolarHBondContact O-CA 3.13Å; V22-G33 WeakPolarHBondContact CG2-O 3.48Å; V22-G33 PolarHBondContact N-O 3.07Å; V22-G33 PolarHBondContact O-N 3.37Å; V22-I35 HydrophobicContact CG1-CD1 3.8Å; V22-I35 HydrophobicContact CG1-CG1 3.67Å; V22-I41 HydrophobicContact CG1-CD1 4.12Å; V22-I41 HydrophobicContact CG2-CD1 3.87Å; V22-I41 HydrophobicContact CG2-CG1 4.16Å; V22-I41 HydrophobicContact CG2-CG2 3.58Å; V22-V56 HydrophobicContact CB-CG1 3.79Å; V22-V56 HydrophobicContact CG1-CG1 4.01Å; V22-V56 HydrophobicContact CG2-CG1 3.92Å; V22-Y57 CarbonylContact C-O 3.48Å; V22-Y57 VanDerWaalsContact CA-O 3.28Å; V22-Y57 WeakPolarHBondContact CA-O 3.5Å; V22-Y57 WeakPolarHBondContact CB-O 3.44Å; V22-A58 HydrophobicContact CG1-CB 3.8Å; V22-F118 HydrophobicContact CG1-CZ 4.33Å |
| 23 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 130.3 | 165.8 | 173.4 | 67.1 | 0 | 0 | 0 | 108.3 | L25 L30 V56 Y57 L60 I63 F154 | L23-L25 HydrophobicContact CD1-CD2 3.89Å; L23-L25 HydrophobicContact CD2-CD1 4.47Å; L23-L25 HydrophobicContact CD2-CD2 3.98Å; L23-L25 HydrophobicContact CD2-CG 4.25Å; L23-L25 HydrophobicContact CG-CD2 3.9Å; L23-L25 HydrophobicContact CG-CG 4.2Å; L23-L30 HydrophobicContact CD1-CB 4.03Å; L23-L30 HydrophobicContact CD1-CD1 4.02Å; L23-L30 HydrophobicContact CD1-CD2 4.36Å; L23-L30 HydrophobicContact CD1-CG 4.38Å; L23-V56 WeakPolarHBondContact O-CA 3.43Å; L23-Y57 HydrophobicContact CD2-CD2 4.49Å; L23-Y57 PolarHBondContact N-O 2.96Å; L23-Y57 PolarHBondContact O-N 3.45Å; L23-L60 HydrophobicContact CB-CD1 4.34Å; L23-L60 HydrophobicContact CB-CD2 4.35Å; L23-L60 HydrophobicContact CD2-CD1 3.9Å; L23-I63 HydrophobicContact CD2-CB 4.05Å; L23-I63 HydrophobicContact CD2-CD1 4.18Å; L23-I63 HydrophobicContact CD2-CG1 3.79Å; L23-F154 HydrophobicContact CB-CD2 3.88Å; L23-F154 HydrophobicContact CB-CE1 4.4Å; L23-F154 HydrophobicContact CB-CE2 3.72Å; L23-F154 HydrophobicContact CB-CG 4.3Å; L23-F154 HydrophobicContact CB-CZ 4.01Å; L23-F154 HydrophobicContact CD1-CB 3.82Å; L23-F154 HydrophobicContact CD1-CD1 4.39Å; L23-F154 HydrophobicContact CD1-CD2 3.98Å; L23-F154 HydrophobicContact CD1-CG 3.83Å |
| 24 | L | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.7 | 174 | -52.5 | 179 | 0 | 0 | 0 | 108.8 | V22 L30 C31 I41 T43 E55 V56 L112 | V22-L24 HydrophobicContact CG2-CD2 3.87Å; V22-L24 HydrophobicContact CG2-CG 4.41Å; L24-L30 CarbonylContact O-C 3.5Å; L24-L30 WeakPolarHBondContact O-CA 3.43Å; L24-L30 WeakPolarHBondContact O-CB 3.46Å; L24-C31 HydrophobicContact CB-CB 4.01Å; L24-C31 WeakPolarHBondContact CB-O 3.48Å; L24-C31 HydrophobicContact CD1-CB 4.1Å; L24-C31 PolarHBondContact N-O 3.38Å; L24-C31 PolarHBondContact O-N 3.33Å; L24-I41 HydrophobicContact CD1-CG2 4.48Å; L24-I41 HydrophobicContact CD2-CG2 4.31Å; L24-T43 HydrophobicContact CD1-CG2 3.96Å; L24-T43 WeakPolarHBondContact CD1-OG1 3.3Å; L24-E55 CarbonylContact C-O 3.46Å; L24-E55 VanDerWaalsContact CA-O 3.28Å; L24-E55 WeakPolarHBondContact CA-O 3.41Å; L24-V56 HydrophobicContact CD2-CB 4.12Å; L24-V56 HydrophobicContact CD2-CG1 3.84Å; L24-V56 HydrophobicContact CD2-CG2 3.63Å; L24-L112 HydrophobicContact CD2-CD2 4.28Å |
| 25 | L | 95.8 | Very high | 94.6 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 12% | 0.12 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.8 | 175.7 | -55.7 | -178.7 | 0 | 0 | 0 | 111 | L23 L30 T53 Y54 E55 Y57 I63 | L23-L25 HydrophobicContact CD1-CD2 3.89Å; L23-L25 HydrophobicContact CD2-CD1 4.47Å; L23-L25 HydrophobicContact CD2-CD2 3.98Å; L23-L25 HydrophobicContact CD2-CG 4.25Å; L23-L25 HydrophobicContact CG-CD2 3.9Å; L23-L25 HydrophobicContact CG-CG 4.2Å; L25-L30 HydrophobicContact CD2-CB 3.54Å; L25-T53 CarbonylContact O-C 3.45Å; L25-T53 VanDerWaalsContact O-C 3.29Å; L25-T53 VanDerWaalsContact O-CA 3.31Å; L25-T53 WeakPolarHBondContact O-CA 3.38Å; L25-Y54 PolarHBondContact O-N 2.84Å; L25-Y54 VanDerWaalsContact O-N 3.17Å; L25-E55 HydrophobicContact CB-CB 4.06Å; L25-E55 PolarHBondContact N-O 3.18Å; L25-E55 PolarHBondContact O-N 3.17Å; L25-E55 VanDerWaalsContact O-N 3.1Å; L25-Y57 HydrophobicContact CD1-CD2 4.24Å; L25-Y57 HydrophobicContact CD1-CE2 3.63Å; L25-Y57 HydrophobicContact CG-CD2 4.37Å; L25-Y57 HydrophobicContact CG-CE2 4.08Å; L25-I63 HydrophobicContact CD1-CD1 4.32Å; L25-I63 HydrophobicContact CD2-CD1 3.87Å |
| 26 | G | 92.3 | Very high | 95 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | trans | -109.1 | -162.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | H29 | G26-H29 PolarHBondContact N-O 3.05Š| ||
| 27 | N | 90.7 | Very high | 95.4 | Very high | 148 Ų | 148 | 27.3 Ų | 27.3 | 79% | 0.791 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -77.7 | -34.7 | -179.2 | -58.1 | -69.4 | 0 | 0 | 0 | 112.5 | D51 | N27-D51 VanDerWaalsContact CB-OD1 3.29Å; N27-D51 WeakPolarHBondContact CB-OD1 3.31Å; N27-D51 PolarHBondContact N-OD1 2.99Å; N27-D51 PolarHBondContact N-OD2 3.41Å; N27-D51 PolarHBondContact ND2-OD1 2.96Å |
| 28 | T | 87.7 | Confident | 95.7 | Very high | 122 Ų | 122 | 24.7 Ų | 24.7 | 75% | 0.748 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -124 | -11.7 | -170.6 | 70.7 | 0 | 0 | 0 | 0 | 114 | D51 | T28-D51 WeakPolarHBondContact CA-OD2 3.41Å; T28-D51 WeakPolarHBondContact CB-OD2 3.21Å; T28-D51 PolarHBondContact N-OD2 2.77Å; T28-D51 PolarHBondContact OG1-OD2 2.74Å |
| 29 | H | 88.1 | Confident | 95.8 | Very high | 46 Ų | 46 | 23.7 Ų | 23.7 | 21% | 0.213 | 14% | 0.138 | C | C | . | . | trans | -145.5 | 169 | 179.8 | 73.5 | -76.9 | 0 | 0 | 0 | 112 | G26 D51 T53 | G26-H29 PolarHBondContact N-O 3.05Å; H29-D51 PolarHBondContact CE1-O 3.08Å; H29-D51 IonicContact CE1-OD2 3.04Å; H29-D51 IonicContact ND1-OD2 3.84Å; H29-D51 PolarHBondContact ND1-OD2 3.04Å; H29-T53 WeakPolarHBondContact NE2-CG2 3.46Å | ||
| 30 | L | 93.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 7% | 0.073 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 153.5 | 171.1 | 67 | 88.5 | 0 | 0 | 0 | 109 | L23 L24 L25 I63 F154 M164 G203 | L23-L30 HydrophobicContact CD1-CB 4.03Å; L23-L30 HydrophobicContact CD1-CD1 4.02Å; L23-L30 HydrophobicContact CD1-CD2 4.36Å; L23-L30 HydrophobicContact CD1-CG 4.38Å; L24-L30 CarbonylContact O-C 3.5Å; L24-L30 WeakPolarHBondContact O-CA 3.43Å; L24-L30 WeakPolarHBondContact O-CB 3.46Å; L25-L30 HydrophobicContact CD2-CB 3.54Å; L30-I63 HydrophobicContact CD2-CD1 4.42Å; L30-F154 HydrophobicContact CD1-CB 3.93Å; L30-M164 HydrophobicContact CD2-CG 3.87Å; L30-M164 HydrophobicContact CD2-SD 4.42Å; L30-G203 VanDerWaalsContact CD1-CA 3.45Å; L30-G203 WeakPolarHBondContact CD1-O 3.44Å; L30-G203 WeakPolarHBondContact O-CA 3.42Å |
| 31 | C | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 170.8 | 168 | -80 | 0 | 0 | 0 | 0 | 109.2 | L24 C47 T53 G203 S205 | L24-C31 HydrophobicContact CB-CB 4.01Å; L24-C31 WeakPolarHBondContact CB-O 3.48Å; L24-C31 HydrophobicContact CD1-CB 4.1Å; L24-C31 PolarHBondContact N-O 3.38Å; L24-C31 PolarHBondContact O-N 3.33Å; C31-C47 HydrophobicContact CB-CB 3.84Å; C31-C47 WeakPolarHBondContact CB-SG 3.14Å; C31-C47 WeakPolarHBondContact SG-CB 3.27Å; C31-C47 CovalentContact SG-SG 2.04Å; C31-C47 PolarHBondContact SG-SG 2.94Å; C31-T53 HydrophobicContact CB-CG2 4.19Å; C31-G203 CarbonylContact C-O 3.45Å; C31-S205 WeakPolarHBondContact CB-O 3.27Å |
| 32 | T | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 153.7 | 167.7 | -56.9 | 0 | 0 | 0 | 0 | 108.9 | I21 V22 T43 G153 F154 G203 S205 G206 | I21-T32 HydrophobicContact CG2-CG2 3.75Å; V22-T32 WeakPolarHBondContact O-CA 3.13Å; T32-T43 PolarHBondContact O-OG1 3.11Å; T32-G153 VanDerWaalsContact OG1-CA 3.23Å; T32-G153 WeakPolarHBondContact OG1-CA 3.34Å; T32-F154 HydrophobicContact CG2-CD2 4.21Å; T32-F154 PolarHBondContact OG1-N 2.83Å; T32-G203 PolarHBondContact N-O 2.69Å; T32-G203 PolarHBondContact OG1-O 3.16Å; T32-S205 PolarHBondContact N-O 2.72Å; T32-G206 CarbonylContact O-C 3.08Å; T32-G206 VanDerWaalsContact O-CA 3.28Å; T32-G206 WeakPolarHBondContact O-CA 3.2Å; T32-G206 VanDerWaalsContact O-O 3.11Å |
| 33 | G | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 172 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V22 L42 | V22-G33 WeakPolarHBondContact CG2-O 3.48Å; V22-G33 PolarHBondContact N-O 3.07Å; V22-G33 PolarHBondContact O-N 3.37Å; G33-L42 CarbonylContact C-O 3.6Å; G33-L42 VanDerWaalsContact CA-O 3.3Å; G33-L42 WeakPolarHBondContact CA-O 3.39Å |
| 34 | T | 98.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.8 | 177.1 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | M20 I36 I41 L42 P208 V216 | M20-T34 HydrophobicContact CB-CG2 4.18Å; M20-T34 HydrophobicContact CG-CG2 3.89Å; M20-T34 CarbonylContact O-C 3.29Å; M20-T34 WeakPolarHBondContact O-CA 3.19Å; T34-I36 HydrophobicContact CG2-CG2 4.38Å; T34-I36 PolarHBondContact O-N 3.42Å; T34-I41 CarbonylContact O-C 3.57Å; T34-I41 VanDerWaalsContact O-CA 3.3Å; T34-I41 WeakPolarHBondContact O-CA 3.18Å; T34-L42 PolarHBondContact N-O 3.5Å; T34-L42 PolarHBondContact O-N 2.79Å; T34-P208 WeakPolarHBondContact OG1-CB 3.48Å; T34-P208 WeakPolarHBondContact OG1-CD 3.39Å; T34-P208 VanDerWaalsContact OG1-CG 3.26Å; T34-P208 WeakPolarHBondContact OG1-CG 3.41Å; T34-V216 HydrophobicContact CG2-CG2 4.13Å |
| 35 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 113 | 171.5 | -59.7 | 168.7 | 0 | 0 | 0 | 108.7 | M20 V22 A37 I41 A58 F118 I125 I127 G128 | M20-I35 WeakPolarHBondContact O-CG1 3.28Å; M20-I35 PolarHBondContact O-N 3.11Å; V22-I35 HydrophobicContact CG1-CD1 3.8Å; V22-I35 HydrophobicContact CG1-CG1 3.67Å; I35-A37 VanDerWaalsContact CG2-O 3.31Å; I35-A37 WeakPolarHBondContact CG2-O 3.31Å; I35-I41 HydrophobicContact CB-CD1 4.14Å; I35-I41 HydrophobicContact CG1-CD1 3.5Å; I35-I41 VanDerWaalsContact CG1-CD1 3.5Å; I35-A58 HydrophobicContact CD1-CB 4.36Å; I35-F118 HydrophobicContact CD1-CD2 4.06Å; I35-F118 HydrophobicContact CD1-CE2 4.14Å; I35-F118 HydrophobicContact CD1-CG 4.48Å; I35-F118 HydrophobicContact CG1-CD2 4.3Å; I35-F118 HydrophobicContact CG1-CE2 4.18Å; I35-I125 HydrophobicContact CD1-CG2 3.56Å; I35-I127 HydrophobicContact CG2-CG1 4.39Å; I35-G128 PolarHBondContact O-N 3.35Å |
| 36 | I | 98 | Very high | 96 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 5% | 0.051 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -13.2 | 177.5 | 58.2 | 162.3 | 0 | 0 | 0 | 112.9 | T34 K40 L42 I111 I127 L130 I240 L244 | T34-I36 HydrophobicContact CG2-CG2 4.38Å; T34-I36 PolarHBondContact O-N 3.42Å; I36-K40 HydrophobicContact CD1-CB 4.38Å; I36-K40 HydrophobicContact CG1-CB 3.92Å; I36-K40 WeakPolarHBondContact CG1-O 3.46Å; I36-K40 PolarHBondContact N-O 3.39Å; I36-L42 HydrophobicContact CD1-CB 4Å; I36-L42 HydrophobicContact CD1-CD1 4.38Å; I36-L42 HydrophobicContact CG1-CB 4.18Å; I36-L42 HydrophobicContact CG2-CB 3.6Å; I36-L42 HydrophobicContact CG2-CD2 4.13Å; I36-L42 HydrophobicContact CG2-CG 4.5Å; I36-I111 HydrophobicContact CD1-CD1 3.84Å; I36-I111 HydrophobicContact CD1-CG1 4.04Å; I36-I111 HydrophobicContact CD1-CG2 4.43Å; I36-I127 WeakPolarHBondContact O-CG2 3.46Å; I36-L130 HydrophobicContact CG2-CD1 4.05Å; I36-L130 HydrophobicContact CG2-CD2 3.93Å; I36-L130 HydrophobicContact CG2-CG 4.27Å; I36-I240 HydrophobicContact CD1-CG2 4.36Å; I36-L244 HydrophobicContact CB-CD2 4.46Å; I36-L244 HydrophobicContact CD1-CD2 4Å; I36-L244 HydrophobicContact CD1-CG 4.47Å; I36-L244 HydrophobicContact CG1-CD2 4.2Å |
| 37 | A | 97.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 21 Ų | 21 | 7% | 0.074 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 166.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | I35 D39 K40 L244 | I35-A37 VanDerWaalsContact CG2-O 3.31Å; I35-A37 WeakPolarHBondContact CG2-O 3.31Å; A37-D39 PolarHBondContact O-N 2.82Å; A37-K40 HydrophobicContact CB-CB 3.85Å; A37-K40 HydrophobicContact CB-CD 3.92Å; A37-K40 HydrophobicContact CB-CG 4.06Å; A37-K40 PolarHBondContact N-O 2.74Å; A37-K40 PolarHBondContact O-N 3.02Å; A37-K40 VanDerWaalsContact O-N 3.1Å; A37-L244 HydrophobicContact CB-CD2 3.95Å |
| 38 | P | 97.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 14.4 Ų | 14.4 | 23% | 0.234 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.5 | -178.7 | -26.6 | 34.7 | 0 | 0 | 0 | 114.5 | K117 F118 L120 I127 | P38-K117 HydrophobicContact CB-CB 3.84Å; P38-K117 HydrophobicContact CB-CD 4.07Å; P38-K117 HydrophobicContact CB-CG 3.89Å; P38-K117 CarbonylContact O-C 3.55Å; P38-K117 VanDerWaalsContact O-CA 3.27Å; P38-K117 WeakPolarHBondContact O-CA 3.35Å; P38-F118 PolarHBondContact O-N 2.94Å; P38-L120 HydrophobicContact CG-CD1 4.19Å; P38-I127 HydrophobicContact CG-CD1 4.42Å |
| 39 | D | 98 | Very high | 96.7 | Very high | 25 Ų | 25 | 8.8 Ų | 8.8 | 13% | 0.134 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 18.6 | 179.5 | 51.8 | 20.2 | 0 | 0 | 0 | 114.1 | A37 L114 K117 | A37-D39 PolarHBondContact O-N 2.82Å; D39-L114 HydrophobicContact CB-CB 4.29Å; D39-L114 WeakPolarHBondContact O-CG 3.23Å; D39-L114 PolarHBondContact O-N 2.59Å; D39-K117 HydrophobicContact CB-CG 3.89Å; D39-K117 WeakPolarHBondContact OD2-CE 3.32Å |
| 40 | K | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 8.9 Ų | 8.9 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.8 | -176.7 | -62.9 | 173.3 | -179.1 | 65.4 | 0 | 111.3 | I36 A37 I111 M113 Q243 L244 D247 | I36-K40 HydrophobicContact CD1-CB 4.38Å; I36-K40 HydrophobicContact CG1-CB 3.92Å; I36-K40 WeakPolarHBondContact CG1-O 3.46Å; I36-K40 PolarHBondContact N-O 3.39Å; A37-K40 HydrophobicContact CB-CB 3.85Å; A37-K40 HydrophobicContact CB-CD 3.92Å; A37-K40 HydrophobicContact CB-CG 4.06Å; A37-K40 PolarHBondContact N-O 2.74Å; A37-K40 PolarHBondContact O-N 3.02Å; A37-K40 VanDerWaalsContact O-N 3.1Å; K40-I111 HydrophobicContact CB-CG2 3.99Å; K40-I111 HydrophobicContact CG-CG2 4.33Å; K40-M113 HydrophobicContact CD-CE 4.45Å; K40-M113 HydrophobicContact CD-SD 4.3Å; K40-M113 HydrophobicContact CG-CE 4.06Å; K40-M113 HydrophobicContact CG-SD 3.8Å; K40-Q243 WeakPolarHBondContact CE-O 2.88Å; K40-L244 HydrophobicContact CD-CD2 4.05Å; K40-D247 IonicContact NZ-OD1 3.32Å; K40-D247 PolarHBondContact NZ-OD1 3.29Å; K40-D247 IonicContact NZ-OD2 2.71Å; K40-D247 PolarHBondContact NZ-OD2 2.97Å |
| 41 | I | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.7 | 174.5 | -55.3 | -55.9 | 0 | 0 | 0 | 109.6 | V22 L24 T34 I35 V56 I111 L112 L114 F118 | V22-I41 HydrophobicContact CG1-CD1 4.12Å; V22-I41 HydrophobicContact CG2-CD1 3.87Å; V22-I41 HydrophobicContact CG2-CG1 4.16Å; V22-I41 HydrophobicContact CG2-CG2 3.58Å; L24-I41 HydrophobicContact CD1-CG2 4.48Å; L24-I41 HydrophobicContact CD2-CG2 4.31Å; T34-I41 CarbonylContact O-C 3.57Å; T34-I41 VanDerWaalsContact O-CA 3.3Å; T34-I41 WeakPolarHBondContact O-CA 3.18Å; I35-I41 HydrophobicContact CB-CD1 4.14Å; I35-I41 HydrophobicContact CG1-CD1 3.5Å; I35-I41 VanDerWaalsContact CG1-CD1 3.5Å; I41-V56 HydrophobicContact CD1-CG1 4.43Å; I41-V56 HydrophobicContact CG1-CG1 4.16Å; I41-I111 CarbonylContact O-C 3.57Å; I41-I111 WeakPolarHBondContact O-CA 3.28Å; I41-L112 HydrophobicContact CB-CB 4.22Å; I41-L112 PolarHBondContact N-O 2.92Å; I41-L112 PolarHBondContact O-N 2.76Å; I41-L114 HydrophobicContact CD1-CD1 4.21Å; I41-L114 HydrophobicContact CG1-CD1 4.06Å; I41-L114 HydrophobicContact CG1-CD2 4.08Å; I41-L114 HydrophobicContact CG1-CG 4.34Å; I41-F118 HydrophobicContact CD1-CE2 3.94Å |
| 42 | L | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.8 | 168.1 | -169.7 | 65.1 | 0 | 0 | 0 | 109.8 | G33 T34 I36 I109 I111 L130 I219 V233 I240 | G33-L42 CarbonylContact C-O 3.6Å; G33-L42 VanDerWaalsContact CA-O 3.3Å; G33-L42 WeakPolarHBondContact CA-O 3.39Å; T34-L42 PolarHBondContact N-O 3.5Å; T34-L42 PolarHBondContact O-N 2.79Å; I36-L42 HydrophobicContact CD1-CB 4Å; I36-L42 HydrophobicContact CD1-CD1 4.38Å; I36-L42 HydrophobicContact CG1-CB 4.18Å; I36-L42 HydrophobicContact CG2-CB 3.6Å; I36-L42 HydrophobicContact CG2-CD2 4.13Å; I36-L42 HydrophobicContact CG2-CG 4.5Å; L42-I109 HydrophobicContact CD1-CD1 3.94Å; L42-I109 HydrophobicContact CD1-CG1 3.93Å; L42-I111 HydrophobicContact CD1-CD1 4.39Å; L42-I111 HydrophobicContact CD1-CG1 3.78Å; L42-L130 HydrophobicContact CD2-CD2 4.11Å; L42-I219 HydrophobicContact CD2-CD1 4.11Å; L42-I219 HydrophobicContact CD2-CG1 4.13Å; L42-I219 HydrophobicContact CG-CD1 4.42Å; L42-I219 HydrophobicContact CG-CG1 4.13Å; L42-V233 HydrophobicContact CD2-CG2 4.47Å; L42-I240 HydrophobicContact CD1-CD1 4.44Å; L42-I240 HydrophobicContact CD1-CG1 4.32Å; L42-I240 HydrophobicContact CD2-CD1 4.44Å |
| 43 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | -172.1 | 179.8 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | L24 T32 C47 F79 S110 G206 | L24-T43 HydrophobicContact CD1-CG2 3.96Å; L24-T43 WeakPolarHBondContact CD1-OG1 3.3Å; T32-T43 PolarHBondContact O-OG1 3.11Å; T43-C47 HydrophobicContact CG2-CB 4.37Å; T43-F79 HydrophobicContact CG2-CD1 4.49Å; T43-F79 HydrophobicContact CG2-CE1 3.85Å; T43-S110 VanDerWaalsContact CG2-OG 3.3Å; T43-S110 WeakPolarHBondContact CG2-OG 3.49Å; T43-S110 PolarHBondContact N-O 3.29Å; T43-S110 PolarHBondContact O-N 2.71Å; T43-S110 VanDerWaalsContact O-O 3.07Å; T43-G206 VanDerWaalsContact OG1-CA 3.29Å; T43-G206 WeakPolarHBondContact OG1-CA 3.45Å |
| 44 | A | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -79.2 | 156.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | H46 S110 G206 I219 | A44-H46 VanDerWaalsContact CB-CE1 3.47Å; A44-H46 WeakPolarHBondContact CB-CE1 3.34Å; A44-S110 PolarHBondContact O-OG 3.18Å; A44-G206 VanDerWaalsContact N-CA 3.27Å; A44-I219 HydrophobicContact CB-CG2 4.3Å | ||
| 45 | G | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -66.8 | -36.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C47 A48 Y85 D108 | G45-C47 PolarHBondContact O-N 2.91Å; G45-A48 WeakPolarHBondContact O-CB 3.15Å; G45-A48 PolarHBondContact O-N 3.1Å; G45-Y85 VanDerWaalsContact C-OH 3.25Å; G45-Y85 VanDerWaalsContact O-CE1 3.27Å; G45-Y85 WeakPolarHBondContact O-CE1 3.5Å; G45-D108 WeakPolarHBondContact CA-OD1 3.3Å; G45-D108 PolarHBondContact N-OD1 2.82Å |
| 46 | H | 94.6 | Very high | 96.7 | Very high | 25 Ų | 25 | 18 Ų | 18 | 12% | 0.116 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -69.5 | -22.1 | -179.3 | 68.8 | -98.6 | 0 | 0 | 0 | 112.8 | A44 A48 Y85 L92 D108 S205 S221 | A44-H46 VanDerWaalsContact CB-CE1 3.47Å; A44-H46 WeakPolarHBondContact CB-CE1 3.34Å; H46-A48 PolarHBondContact O-N 3.22Å; H46-Y85 WeakPolarHBondContact CA-OH 3.24Å; H46-Y85 WeakPolarHBondContact CB-OH 3.45Å; H46-Y85 PolarHBondContact N-OH 3.5Å; H46-L92 HydrophobicContact CB-CD1 3.84Å; H46-D108 IonicContact CE1-OD2 3.44Å; H46-D108 PolarHBondContact CE1-OD2 2.84Å; H46-D108 IonicContact CG-OD1 3.93Å; H46-D108 IonicContact CG-OD2 3.86Å; H46-D108 PolarHBondContact N-OD1 2.9Å; H46-D108 IonicContact ND1-OD1 2.58Å; H46-D108 PolarHBondContact ND1-OD1 2.99Å; H46-D108 IonicContact ND1-OD2 3.58Å; H46-D108 PolarHBondContact ND1-OD2 3.36Å; H46-S205 PolarHBondContact CE1-OG 2.89Å; H46-S205 WeakPolarHBondContact NE2-CB 3.48Å; H46-S205 PolarHBondContact NE2-OG 2.78Å; H46-S221 PolarHBondContact CE1-O 2.58Å |
| 47 | C | 96.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -68.1 | -12.2 | 169.5 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | C31 T43 G45 P52 T53 | C31-C47 HydrophobicContact CB-CB 3.84Å; C31-C47 WeakPolarHBondContact CB-SG 3.14Å; C31-C47 WeakPolarHBondContact SG-CB 3.27Å; C31-C47 CovalentContact SG-SG 2.04Å; C31-C47 PolarHBondContact SG-SG 2.94Å; T43-C47 HydrophobicContact CG2-CB 4.37Å; G45-C47 PolarHBondContact O-N 2.91Å; C47-P52 WeakPolarHBondContact O-CA 3.18Å; C47-T53 PolarHBondContact O-N 3.08Å; C47-T53 PolarHBondContact O-OG1 2.78Å; C47-T53 VanDerWaalsContact O-OG1 3.13Å |
| 48 | A | 96.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 18.1 Ų | 18.1 | 8% | 0.083 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -100.5 | -10.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G45 H46 F79 Y81 | G45-A48 WeakPolarHBondContact O-CB 3.15Å; G45-A48 PolarHBondContact O-N 3.1Å; H46-A48 PolarHBondContact O-N 3.22Å; A48-F79 HydrophobicContact CB-CB 3.5Å; A48-F79 VanDerWaalsContact CB-CB 3.5Å; A48-F79 HydrophobicContact CB-CD1 3.4Å; A48-F79 HydrophobicContact CB-CD2 3.82Å; A48-F79 HydrophobicContact CB-CE1 3.96Å; A48-F79 HydrophobicContact CB-CE2 4.37Å; A48-F79 HydrophobicContact CB-CG 3.29Å; A48-F79 HydrophobicContact CB-CZ 4.42Å; A48-Y81 HydrophobicContact CB-CD1 4.35Å |
| 49 | C | 94.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 17 Ų | 17 | 3% | 0.027 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -135.1 | 148.5 | -166 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | D51 C89 L92 | C49-D51 VanDerWaalsContact C-N 3.29Å; C49-D51 PolarHBondContact O-N 2.93Å; C49-C89 HydrophobicContact CB-CB 3.93Å; C49-C89 WeakPolarHBondContact CB-SG 3.26Å; C49-C89 VanDerWaalsContact SG-CA 3.52Å; C49-C89 WeakPolarHBondContact SG-CB 3.47Å; C49-C89 CovalentContact SG-SG 2.02Å; C49-C89 PolarHBondContact SG-SG 3.04Å; C49-L92 HydrophobicContact CB-CB 3.88Å; C49-L92 HydrophobicContact CB-CD1 3.96Å |
| 50 | G | 90.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 16.2 Ų | 16.2 | 49% | 0.485 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 77.5 | -70.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N93 | G50-N93 PolarHBondContact N-OD1 2.82Š|
| 51 | D | 91.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 17.2 Ų | 17.2 | 13% | 0.128 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -127 | 68.7 | 177.2 | 179.2 | 33.5 | 0 | 0 | 0 | 110.7 | N27 T28 H29 C49 T53 | N27-D51 VanDerWaalsContact CB-OD1 3.29Å; N27-D51 WeakPolarHBondContact CB-OD1 3.31Å; N27-D51 PolarHBondContact N-OD1 2.99Å; N27-D51 PolarHBondContact N-OD2 3.41Å; N27-D51 PolarHBondContact ND2-OD1 2.96Å; T28-D51 WeakPolarHBondContact CA-OD2 3.41Å; T28-D51 WeakPolarHBondContact CB-OD2 3.21Å; T28-D51 PolarHBondContact N-OD2 2.77Å; T28-D51 PolarHBondContact OG1-OD2 2.74Å; H29-D51 PolarHBondContact CE1-O 3.08Å; H29-D51 IonicContact CE1-OD2 3.04Å; H29-D51 IonicContact ND1-OD2 3.84Å; H29-D51 PolarHBondContact ND1-OD2 3.04Å; C49-D51 VanDerWaalsContact C-N 3.29Å; C49-D51 PolarHBondContact O-N 2.93Å; D51-T53 PolarHBondContact O-N 2.75Å |
| 52 | P | 95.7 | Very high | 96.1 | Very high | 31 Ų | 31 | 19.3 Ų | 19.3 | 20% | 0.201 | 11% | 0.107 | C | C | . | . | trans | -58.2 | 138.6 | -170.3 | 23.7 | -35.5 | 0 | 0 | 0 | 114 | C47 Y54 F79 | C47-P52 WeakPolarHBondContact O-CA 3.18Å; P52-Y54 HydrophobicContact CB-CD2 3.87Å; P52-Y54 HydrophobicContact CB-CE2 3.42Å; P52-Y54 VanDerWaalsContact CB-CE2 3.42Å; P52-Y54 HydrophobicContact CG-CD2 3.87Å; P52-Y54 HydrophobicContact CG-CE2 3.27Å; P52-Y54 PolarHBondContact O-N 3.09Å; P52-F79 HydrophobicContact CB-CD2 4.28Å; P52-F79 HydrophobicContact CB-CE2 3.89Å | ||
| 53 | T | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -91 | 78.4 | -176.9 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | L25 H29 C31 C47 D51 | L25-T53 CarbonylContact O-C 3.45Å; L25-T53 VanDerWaalsContact O-C 3.29Å; L25-T53 VanDerWaalsContact O-CA 3.31Å; L25-T53 WeakPolarHBondContact O-CA 3.38Å; H29-T53 WeakPolarHBondContact NE2-CG2 3.46Å; C31-T53 HydrophobicContact CB-CG2 4.19Å; C47-T53 PolarHBondContact O-N 3.08Å; C47-T53 PolarHBondContact O-OG1 2.78Å; C47-T53 VanDerWaalsContact O-OG1 3.13Å; D51-T53 PolarHBondContact O-N 2.75Å | ||
| 54 | Y | 97.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 26.1 Ų | 26.1 | 31% | 0.314 | 14% | 0.143 | S | C | . | . | trans | -83.4 | -23 | -172.5 | -75.2 | -66.8 | 0 | 0 | 0 | 115.5 | L25 P52 G76 F79 L112 | L25-Y54 PolarHBondContact O-N 2.84Å; L25-Y54 VanDerWaalsContact O-N 3.17Å; P52-Y54 HydrophobicContact CB-CD2 3.87Å; P52-Y54 HydrophobicContact CB-CE2 3.42Å; P52-Y54 VanDerWaalsContact CB-CE2 3.42Å; P52-Y54 HydrophobicContact CG-CD2 3.87Å; P52-Y54 HydrophobicContact CG-CE2 3.27Å; P52-Y54 PolarHBondContact O-N 3.09Å; Y54-G76 WeakPolarHBondContact CD1-O 2.9Å; Y54-G76 PolarHBondContact O-N 3.12Å; Y54-F79 HydrophobicContact CD1-CD2 4.33Å; Y54-F79 AromaticContact CD1-CE2 3.91Å; Y54-F79 HydrophobicContact CD1-CE2 3.91Å; Y54-F79 AromaticContact CE1-CD2 3.67Å; Y54-F79 HydrophobicContact CE1-CD2 3.67Å; Y54-F79 AromaticContact CE1-CE2 3.7Å; Y54-F79 HydrophobicContact CE1-CE2 3.7Å; Y54-F79 HydrophobicContact CG-CE2 4.48Å; Y54-L112 HydrophobicContact CD1-CD1 3.93Å; Y54-L112 HydrophobicContact CE1-CD1 4.12Å | ||
| 55 | E | 98.3 | Very high | 95.4 | Very high | 75 Ų | 75 | 28.8 Ų | 28.8 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.7 | -178.3 | -68.1 | -173.9 | -120.8 | 0 | 0 | 110.1 | L24 L25 Y57 Y73 | L24-E55 CarbonylContact C-O 3.46Å; L24-E55 VanDerWaalsContact CA-O 3.28Å; L24-E55 WeakPolarHBondContact CA-O 3.41Å; L25-E55 HydrophobicContact CB-CB 4.06Å; L25-E55 PolarHBondContact N-O 3.18Å; L25-E55 PolarHBondContact O-N 3.17Å; L25-E55 VanDerWaalsContact O-N 3.1Å; E55-Y57 HydrophobicContact CB-CE2 3.95Å; E55-Y57 PolarHBondContact OE2-OH 2.86Å; E55-Y73 HydrophobicContact CB-CE2 4.02Å; E55-Y73 HydrophobicContact CG-CE2 4.15Å |
| 56 | V | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.9 | -174 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | V22 L23 L24 I41 Y73 R74 L112 L114 F118 | V22-V56 HydrophobicContact CB-CG1 3.79Å; V22-V56 HydrophobicContact CG1-CG1 4.01Å; V22-V56 HydrophobicContact CG2-CG1 3.92Å; L23-V56 WeakPolarHBondContact O-CA 3.43Å; L24-V56 HydrophobicContact CD2-CB 4.12Å; L24-V56 HydrophobicContact CD2-CG1 3.84Å; L24-V56 HydrophobicContact CD2-CG2 3.63Å; I41-V56 HydrophobicContact CD1-CG1 4.43Å; I41-V56 HydrophobicContact CG1-CG1 4.16Å; V56-Y73 CarbonylContact O-C 3.47Å; V56-Y73 WeakPolarHBondContact O-CA 3.29Å; V56-R74 HydrophobicContact CB-CB 4.17Å; V56-R74 PolarHBondContact N-O 3.49Å; V56-R74 PolarHBondContact O-N 2.93Å; V56-L112 HydrophobicContact CG2-CD2 3.53Å; V56-L114 HydrophobicContact CB-CD2 4.35Å; V56-L114 HydrophobicContact CG2-CD2 3.71Å; V56-F118 HydrophobicContact CG1-CE2 4.41Å; V56-F118 HydrophobicContact CG1-CZ 3.93Å |
| 57 | Y | 98.2 | Very high | 95.4 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 8% | 0.078 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.2 | 175.8 | -58.4 | -91.3 | 0 | 0 | 0 | 109.7 | V22 L23 L25 E55 L60 R66 I71 Y73 | V22-Y57 CarbonylContact C-O 3.48Å; V22-Y57 VanDerWaalsContact CA-O 3.28Å; V22-Y57 WeakPolarHBondContact CA-O 3.5Å; V22-Y57 WeakPolarHBondContact CB-O 3.44Å; L23-Y57 HydrophobicContact CD2-CD2 4.49Å; L23-Y57 PolarHBondContact N-O 2.96Å; L23-Y57 PolarHBondContact O-N 3.45Å; L25-Y57 HydrophobicContact CD1-CD2 4.24Å; L25-Y57 HydrophobicContact CD1-CE2 3.63Å; L25-Y57 HydrophobicContact CG-CD2 4.37Å; L25-Y57 HydrophobicContact CG-CE2 4.08Å; E55-Y57 HydrophobicContact CB-CE2 3.95Å; E55-Y57 PolarHBondContact OE2-OH 2.86Å; Y57-L60 VanDerWaalsContact C-CD2 3.45Å; Y57-L60 VanDerWaalsContact O-CD2 3.23Å; Y57-L60 WeakPolarHBondContact O-CD2 3.23Å; Y57-R66 HydrophobicContact CD1-CB 3.77Å; Y57-R66 HydrophobicContact CE1-CB 3.8Å; Y57-R66 HydrophobicContact CE1-CG 4.39Å; Y57-R66 HydrophobicContact CG-CB 4.22Å; Y57-I71 HydrophobicContact CD1-CG2 3.86Å; Y57-Y73 AromaticContact CD1-CD2 3.97Å; Y57-Y73 HydrophobicContact CD1-CD2 3.97Å; Y57-Y73 AromaticContact CE1-CD2 3.52Å; Y57-Y73 HydrophobicContact CE1-CD2 3.52Å; Y57-Y73 HydrophobicContact CE1-CE2 4.29Å; Y57-Y73 HydrophobicContact CE1-CG 4.21Å; Y57-Y73 HydrophobicContact CE2-CD2 4.24Å; Y57-Y73 HydrophobicContact CE2-CE2 4.42Å; Y57-Y73 AromaticContact CZ-CD2 3.7Å |
| 58 | A | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 159.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V22 I35 I71 Q72 F118 I125 | V22-A58 HydrophobicContact CG1-CB 3.8Å; I35-A58 HydrophobicContact CD1-CB 4.36Å; A58-I71 WeakPolarHBondContact O-CG2 3.48Å; A58-Q72 PolarHBondContact N-O 2.86Å; A58-Q72 PolarHBondContact O-N 2.81Å; A58-F118 HydrophobicContact CB-CD1 4.07Å; A58-F118 HydrophobicContact CB-CE1 3.42Å; A58-F118 VanDerWaalsContact CB-CE1 3.42Å; A58-F118 HydrophobicContact CB-CZ 3.79Å; A58-I125 HydrophobicContact CB-CD1 3.82Å; A58-I125 HydrophobicContact CB-CG1 4.06Å |
| 59 | N | 96.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 46 Ų | 46 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 67.9 | 40.6 | 176.8 | -166.8 | 36.8 | 0 | 0 | 0 | 114.6 | L15 H70 I71 I125 | L15-N59 WeakPolarHBondContact CD1-O 3.26Å; N59-H70 PolarHBondContact ND2-O 3.2Å; N59-H70 VanDerWaalsContact ND2-O 3.08Å; N59-I71 WeakPolarHBondContact O-CD1 3.24Å; N59-I125 HydrophobicContact CB-CD1 3.91Å; N59-I125 HydrophobicContact CB-CG1 3.85Å |
| 60 | L | 95.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | trans | -134.8 | 155.2 | 174.9 | 66.3 | 169.9 | 0 | 0 | 0 | 110.9 | L23 Y57 E65 R66 I71 F154 | L23-L60 HydrophobicContact CB-CD1 4.34Å; L23-L60 HydrophobicContact CB-CD2 4.35Å; L23-L60 HydrophobicContact CD2-CD1 3.9Å; Y57-L60 VanDerWaalsContact C-CD2 3.45Å; Y57-L60 VanDerWaalsContact O-CD2 3.23Å; Y57-L60 WeakPolarHBondContact O-CD2 3.23Å; L60-E65 WeakPolarHBondContact CA-OE2 3.5Å; L60-E65 HydrophobicContact CB-CB 4.1Å; L60-E65 WeakPolarHBondContact CB-OE2 3.14Å; L60-R66 HydrophobicContact CD1-CB 4.44Å; L60-I71 HydrophobicContact CB-CD1 3.66Å; L60-F154 HydrophobicContact CD2-CZ 4.4Å; L60-F154 HydrophobicContact CG-CE1 4.18Å; L60-F154 HydrophobicContact CG-CZ 4.12Å; L60-F154 WeakPolarHBondContact O-CZ 3.44Å | ||
| 61 | T | 94 | Very high | 95.5 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -116 | -11.4 | 171 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | V13 L15 E65 Q166 L167 | V13-T61 WeakPolarHBondContact O-CG2 3.37Å; L15-T61 HydrophobicContact CB-CG2 4.26Å; L15-T61 HydrophobicContact CD1-CG2 4.25Å; T61-E65 PolarHBondContact N-OE2 2.82Å; T61-E65 PolarHBondContact OG1-OE1 2.84Å; T61-E65 PolarHBondContact OG1-OE2 3.25Å; T61-Q166 CarbonylContact O-C 2.99Å; T61-Q166 WeakPolarHBondContact O-CA 3.29Å; T61-L167 PolarHBondContact O-N 3.34Å |
| 62 | H | 93.7 | Very high | 95.8 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 21% | 0.208 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -140.7 | 137.4 | 176.2 | -165.3 | -77.5 | 0 | 0 | 0 | 112 | N64 E65 G165 | H62-N64 PolarHBondContact CE1-ND2 2.9Å; H62-N64 VanDerWaalsContact CE1-ND2 3.27Å; H62-N64 WeakPolarHBondContact ND1-CB 3.31Å; H62-N64 PolarHBondContact ND1-N 2.83Å; H62-N64 VanDerWaalsContact ND1-N 3.2Å; H62-N64 PolarHBondContact O-N 3.04Å; H62-E65 HydrophobicContact CB-CG 4.13Å; H62-E65 PolarHBondContact N-OE2 3.05Å; H62-E65 WeakPolarHBondContact O-CA 3.35Å; H62-E65 WeakPolarHBondContact O-CB 3.42Å; H62-E65 WeakPolarHBondContact O-CG 3.24Å; H62-E65 PolarHBondContact O-N 2.93Å; H62-G165 CarbonylContact C-O 3.43Å; H62-G165 VanDerWaalsContact CA-O 3.24Å; H62-G165 WeakPolarHBondContact CA-O 3.28Å |
| 63 | I | 92.7 | Very high | 95.9 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 16% | 0.159 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -54.9 | -30.9 | -177.4 | -173.7 | 164.7 | 0 | 0 | 0 | 114 | L23 L25 L30 E65 R66 G165 | L23-I63 HydrophobicContact CD2-CB 4.05Å; L23-I63 HydrophobicContact CD2-CD1 4.18Å; L23-I63 HydrophobicContact CD2-CG1 3.79Å; L25-I63 HydrophobicContact CD1-CD1 4.32Å; L25-I63 HydrophobicContact CD2-CD1 3.87Å; L30-I63 HydrophobicContact CD2-CD1 4.42Å; I63-E65 PolarHBondContact O-N 2.79Å; I63-R66 VanDerWaalsContact O-CB 3.26Å; I63-R66 WeakPolarHBondContact O-CB 3.26Å; I63-R66 WeakPolarHBondContact O-CD 3.48Å; I63-R66 WeakPolarHBondContact O-CG 3.38Å; I63-R66 PolarHBondContact O-N 3.33Å; I63-R66 PolarHBondContact O-NH1 3.37Å; I63-G165 PolarHBondContact N-O 3.27Å |
| 64 | N | 93.2 | Very high | 96 | Very high | 112 Ų | 112 | 52.1 Ų | 52.1 | 60% | 0.599 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -66.5 | -22.7 | 175.8 | -67.3 | -18.7 | 0 | 0 | 0 | 113 | H62 R66 | H62-N64 PolarHBondContact CE1-ND2 2.9Å; H62-N64 VanDerWaalsContact CE1-ND2 3.27Å; H62-N64 WeakPolarHBondContact ND1-CB 3.31Å; H62-N64 PolarHBondContact ND1-N 2.83Å; H62-N64 VanDerWaalsContact ND1-N 3.2Å; H62-N64 PolarHBondContact O-N 3.04Å; N64-R66 PolarHBondContact O-N 3.21Å |
| 65 | E | 94.8 | Very high | 96 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -73 | -11.6 | 176.3 | -59.7 | 170.5 | 162.9 | 0 | 0 | 112.2 | L60 T61 H62 I63 F67 S68 I71 | L60-E65 WeakPolarHBondContact CA-OE2 3.5Å; L60-E65 HydrophobicContact CB-CB 4.1Å; L60-E65 WeakPolarHBondContact CB-OE2 3.14Å; T61-E65 PolarHBondContact N-OE2 2.82Å; T61-E65 PolarHBondContact OG1-OE1 2.84Å; T61-E65 PolarHBondContact OG1-OE2 3.25Å; H62-E65 HydrophobicContact CB-CG 4.13Å; H62-E65 PolarHBondContact N-OE2 3.05Å; H62-E65 WeakPolarHBondContact O-CA 3.35Å; H62-E65 WeakPolarHBondContact O-CB 3.42Å; H62-E65 WeakPolarHBondContact O-CG 3.24Å; H62-E65 PolarHBondContact O-N 2.93Å; I63-E65 PolarHBondContact O-N 2.79Å; E65-F67 PolarHBondContact O-N 3.5Å; E65-S68 WeakPolarHBondContact O-CA 3.43Å; E65-S68 WeakPolarHBondContact O-CB 3.05Å; E65-S68 PolarHBondContact O-N 2.78Å; E65-S68 PolarHBondContact O-OG 3.34Å; E65-I71 WeakPolarHBondContact O-CG1 3.28Å |
| 66 | R | 95.2 | Very high | 96 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -55.5 | -19.5 | -176.3 | 76.9 | -173.9 | 177.8 | -79.2 | 6.3 | 115.1 | Y57 L60 I63 N64 | Y57-R66 HydrophobicContact CD1-CB 3.77Å; Y57-R66 HydrophobicContact CE1-CB 3.8Å; Y57-R66 HydrophobicContact CE1-CG 4.39Å; Y57-R66 HydrophobicContact CG-CB 4.22Å; L60-R66 HydrophobicContact CD1-CB 4.44Å; I63-R66 VanDerWaalsContact O-CB 3.26Å; I63-R66 WeakPolarHBondContact O-CB 3.26Å; I63-R66 WeakPolarHBondContact O-CD 3.48Å; I63-R66 WeakPolarHBondContact O-CG 3.38Å; I63-R66 PolarHBondContact O-N 3.33Å; I63-R66 PolarHBondContact O-NH1 3.37Å; N64-R66 PolarHBondContact O-N 3.21Å |
| 67 | F | 95.3 | Very high | 96 | Very high | 157 Ų | 157 | 52.2 Ų | 52.2 | 69% | 0.689 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -94.5 | 0.1 | 176.8 | -55.5 | -62.8 | 0 | 0 | 0 | 113.7 | E65 | E65-F67 PolarHBondContact O-N 3.5Š|
| 68 | S | 95.8 | Very high | 96 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -76 | 145.8 | -179.2 | -50.8 | 0 | 0 | 0 | 0 | 111 | E65 H70 I71 | E65-S68 WeakPolarHBondContact O-CA 3.43Å; E65-S68 WeakPolarHBondContact O-CB 3.05Å; E65-S68 PolarHBondContact O-N 2.78Å; E65-S68 PolarHBondContact O-OG 3.34Å; S68-H70 WeakPolarHBondContact CB-CE1 3.36Å; S68-H70 PolarHBondContact O-N 3.27Å; S68-H70 VanDerWaalsContact O-N 3.16Å; S68-I71 WeakPolarHBondContact O-CB 3.22Å; S68-I71 WeakPolarHBondContact O-CG1 3.44Å; S68-I71 PolarHBondContact O-N 3.35Å; S68-I71 VanDerWaalsContact O-N 3.16Å |
| 69 | P | 94.6 | Very high | 96 | Very high | 134 Ų | 134 | 56.4 Ų | 56.4 | 87% | 0.87 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.6 | -173.1 | 25.9 | -35.6 | 0 | 0 | 0 | 114.9 | ||
| 70 | H | 92.1 | Very high | 96 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 37% | 0.366 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.4 | 178.3 | 61.2 | -90 | 0 | 0 | 0 | 113.5 | N59 S68 | N59-H70 PolarHBondContact ND2-O 3.2Å; N59-H70 VanDerWaalsContact ND2-O 3.08Å; S68-H70 WeakPolarHBondContact CB-CE1 3.36Å; S68-H70 PolarHBondContact O-N 3.27Å; S68-H70 VanDerWaalsContact O-N 3.16Å |
| 71 | I | 96.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | trans | -76 | 137.8 | 178.4 | -59.4 | -48 | 0 | 0 | 0 | 110.2 | Y57 A58 N59 L60 E65 S68 | Y57-I71 HydrophobicContact CD1-CG2 3.86Å; A58-I71 WeakPolarHBondContact O-CG2 3.48Å; N59-I71 WeakPolarHBondContact O-CD1 3.24Å; L60-I71 HydrophobicContact CB-CD1 3.66Å; E65-I71 WeakPolarHBondContact O-CG1 3.28Å; S68-I71 WeakPolarHBondContact O-CB 3.22Å; S68-I71 WeakPolarHBondContact O-CG1 3.44Å; S68-I71 PolarHBondContact O-N 3.35Å; S68-I71 VanDerWaalsContact O-N 3.16Å | ||
| 72 | Q | 97.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 16% | 0.159 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.7 | 168.2 | -71.7 | -163.4 | 51.1 | 0 | 0 | 110.1 | A58 F118 H119 I125 | A58-Q72 PolarHBondContact N-O 2.86Å; A58-Q72 PolarHBondContact O-N 2.81Å; Q72-F118 HydrophobicContact CB-CD1 3.75Å; Q72-F118 HydrophobicContact CB-CE1 3.76Å; Q72-H119 PolarHBondContact NE2-O 2.97Å; Q72-I125 HydrophobicContact CB-CD1 3.73Å; Q72-I125 VanDerWaalsContact CD-CD1 3.45Å; Q72-I125 HydrophobicContact CG-CD1 3.6Å |
| 73 | Y | 98.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 35% | 0.353 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137.7 | 172.7 | 170.2 | -108.6 | 0 | 0 | 0 | 111.7 | E55 V56 Y57 K116 | E55-Y73 HydrophobicContact CB-CE2 4.02Å; E55-Y73 HydrophobicContact CG-CE2 4.15Å; V56-Y73 CarbonylContact O-C 3.47Å; V56-Y73 WeakPolarHBondContact O-CA 3.29Å; Y57-Y73 AromaticContact CD1-CD2 3.97Å; Y57-Y73 HydrophobicContact CD1-CD2 3.97Å; Y57-Y73 AromaticContact CE1-CD2 3.52Å; Y57-Y73 HydrophobicContact CE1-CD2 3.52Å; Y57-Y73 HydrophobicContact CE1-CE2 4.29Å; Y57-Y73 HydrophobicContact CE1-CG 4.21Å; Y57-Y73 HydrophobicContact CE2-CD2 4.24Å; Y57-Y73 HydrophobicContact CE2-CE2 4.42Å; Y57-Y73 AromaticContact CZ-CD2 3.7Å; Y73-K116 WeakPolarHBondContact O-CE 3.36Å |
| 74 | R | 98.3 | Very high | 96.5 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 153.5 | 172.5 | -57.7 | -65.5 | -178 | -85.2 | 7.8 | 109.7 | V56 L114 K116 K117 F118 | V56-R74 HydrophobicContact CB-CB 4.17Å; V56-R74 PolarHBondContact N-O 3.49Å; V56-R74 PolarHBondContact O-N 2.93Å; R74-L114 HydrophobicContact CB-CB 4.44Å; R74-L114 HydrophobicContact CB-CD1 4.14Å; R74-L114 HydrophobicContact CB-CD2 4.18Å; R74-L114 HydrophobicContact CB-CG 4.49Å; R74-L114 HydrophobicContact CG-CD1 4.07Å; R74-K116 VanDerWaalsContact CD-CE 3.4Å; R74-K116 WeakPolarHBondContact CD-O 3.24Å; R74-K116 VanDerWaalsContact NE-CG 3.31Å; R74-K116 PolarHBondContact NE-O 2.88Å; R74-K117 PolarHBondContact NE-O 2.64Å; R74-K117 VanDerWaalsContact NE-O 3.09Å; R74-K117 PolarHBondContact NH2-O 2.83Å; R74-F118 HydrophobicContact CB-CZ 4.24Å; R74-F118 HydrophobicContact CG-CD1 4.05Å; R74-F118 HydrophobicContact CG-CD2 4.45Å; R74-F118 HydrophobicContact CG-CE1 3.5Å; R74-F118 HydrophobicContact CG-CE2 3.96Å; R74-F118 HydrophobicContact CG-CG 4.49Å; R74-F118 HydrophobicContact CG-CZ 3.45Å; R74-F118 VanDerWaalsContact CG-CZ 3.45Å |
| 75 | L | 98.4 | Very high | 96.7 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129 | 170.1 | -174.3 | 66.7 | 0 | 0 | 0 | 108.4 | N115 | L75-N115 PolarHBondContact N-OD1 3.43Å; L75-N115 WeakPolarHBondContact O-CB 3.5Å; L75-N115 PolarHBondContact O-N 2.92Å; L75-N115 PolarHBondContact O-OD1 3.28Å; L75-N115 VanDerWaalsContact O-OD1 3.11Å |
| 76 | G | 98.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 138.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y54 M113 | Y54-G76 WeakPolarHBondContact CD1-O 2.9Å; Y54-G76 PolarHBondContact O-N 3.12Å; G76-M113 CarbonylContact C-O 3.56Å; G76-M113 WeakPolarHBondContact CA-O 3.34Å |
| 77 | T | 98 | Very high | 96.6 | Very high | 76 Ų | 76 | 67.8 Ų | 67.8 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -41.2 | -180 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | M113 N115 | T77-M113 PolarHBondContact N-O 3Å; T77-M113 WeakPolarHBondContact OG1-CB 3.28Å; T77-M113 PolarHBondContact OG1-O 3.33Å; T77-N115 HydrophobicContact CG2-CB 3.86Å |
| 78 | H | 97.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 157.3 | 175.8 | 60.7 | -71.7 | 0 | 0 | 0 | 109.8 | L112 M113 | H78-L112 WeakPolarHBondContact O-CD1 2.93Å; H78-M113 WeakPolarHBondContact NE2-CG 3.12Å; H78-M113 PolarHBondContact O-N 2.85Å |
| 79 | F | 98.1 | Very high | 96.5 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 144.8 | 168.6 | -74.6 | -90.6 | 0 | 0 | 0 | 110.9 | T43 A48 P52 Y54 S110 I111 L112 | T43-F79 HydrophobicContact CG2-CD1 4.49Å; T43-F79 HydrophobicContact CG2-CE1 3.85Å; A48-F79 HydrophobicContact CB-CB 3.5Å; A48-F79 VanDerWaalsContact CB-CB 3.5Å; A48-F79 HydrophobicContact CB-CD1 3.4Å; A48-F79 HydrophobicContact CB-CD2 3.82Å; A48-F79 HydrophobicContact CB-CE1 3.96Å; A48-F79 HydrophobicContact CB-CE2 4.37Å; A48-F79 HydrophobicContact CB-CG 3.29Å; A48-F79 HydrophobicContact CB-CZ 4.42Å; P52-F79 HydrophobicContact CB-CD2 4.28Å; P52-F79 HydrophobicContact CB-CE2 3.89Å; Y54-F79 HydrophobicContact CD1-CD2 4.33Å; Y54-F79 AromaticContact CD1-CE2 3.91Å; Y54-F79 HydrophobicContact CD1-CE2 3.91Å; Y54-F79 AromaticContact CE1-CD2 3.67Å; Y54-F79 HydrophobicContact CE1-CD2 3.67Å; Y54-F79 AromaticContact CE1-CE2 3.7Å; Y54-F79 HydrophobicContact CE1-CE2 3.7Å; Y54-F79 HydrophobicContact CG-CE2 4.48Å; F79-S110 WeakPolarHBondContact CD1-OG 3.46Å; F79-I111 CarbonylContact C-O 3.4Å; F79-I111 WeakPolarHBondContact CA-O 3.43Å; F79-L112 HydrophobicContact CD1-CB 3.87Å; F79-L112 HydrophobicContact CD1-CD1 4.01Å; F79-L112 HydrophobicContact CD1-CG 4.49Å; F79-L112 HydrophobicContact CD2-CD1 3.75Å; F79-L112 HydrophobicContact CE1-CB 3.62Å; F79-L112 HydrophobicContact CE1-CD1 3.89Å; F79-L112 HydrophobicContact CE1-CD2 4.22Å; F79-L112 HydrophobicContact CE1-CG 4.11Å; F79-L112 HydrophobicContact CE2-CD1 3.57Å; F79-L112 HydrophobicContact CE2-CD2 4.49Å; F79-L112 HydrophobicContact CE2-CG 4.49Å; F79-L112 HydrophobicContact CG-CD1 3.96Å; F79-L112 HydrophobicContact CZ-CB 4.12Å; F79-L112 HydrophobicContact CZ-CD1 3.66Å; F79-L112 HydrophobicContact CZ-CD2 3.9Å; F79-L112 HydrophobicContact CZ-CG 4.1Å |
| 80 | I | 97.9 | Very high | 96.5 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131 | 171.1 | -53.7 | 174 | 0 | 0 | 0 | 106.9 | S110 I111 M113 F239 Q243 | I80-S110 CarbonylContact O-C 3.54Å; I80-S110 VanDerWaalsContact O-CA 3.25Å; I80-S110 WeakPolarHBondContact O-CA 3.23Å; I80-S110 WeakPolarHBondContact O-CB 2.93Å; I80-I111 PolarHBondContact N-O 3.29Å; I80-I111 PolarHBondContact O-N 2.78Å; I80-M113 HydrophobicContact CD1-CG 3.7Å; I80-M113 HydrophobicContact CD1-SD 3.91Å; I80-M113 HydrophobicContact CG1-CG 4.15Å; I80-F239 HydrophobicContact CG2-CE2 3.99Å; I80-F239 HydrophobicContact CG2-CZ 4.44Å; I80-F239 WeakPolarHBondContact O-CZ 3.48Å; I80-Q243 HydrophobicContact CG2-CG 4.32Å |
| 81 | Y | 97.6 | Very high | 96.6 | Very high | 76 Ų | 76 | 58 Ų | 58 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | trans | -137.9 | 156.2 | 177.5 | 46 | -103.5 | 0 | 0 | 0 | 109.5 | A48 Y85 C89 I109 | A48-Y81 HydrophobicContact CB-CD1 4.35Å; Y81-Y85 HydrophobicContact CD2-CD1 4.19Å; Y81-Y85 HydrophobicContact CG-CD1 4.04Å; Y81-C89 HydrophobicContact CE1-CB 4.33Å; Y81-C89 VanDerWaalsContact CE1-SG 3.58Å; Y81-C89 HydrophobicContact CE2-CB 4.18Å; Y81-C89 PolarHBondContact OH-SG 3.3Å; Y81-I109 VanDerWaalsContact CB-O 3.31Å; Y81-I109 WeakPolarHBondContact CB-O 3.25Å | ||
| 82 | P | 96.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | trans | -66.1 | 154.9 | -179.2 | 29.4 | -36.4 | 0 | 0 | 0 | 111.1 | T84 Y85 I109 F239 | P82-T84 WeakPolarHBondContact CB-OG1 3.48Å; P82-T84 WeakPolarHBondContact CG-OG1 3.12Å; P82-T84 PolarHBondContact O-N 3.37Å; P82-T84 VanDerWaalsContact O-N 3.08Å; P82-Y85 PolarHBondContact O-N 3.34Å; P82-I109 VanDerWaalsContact CD-O 3.31Å; P82-I109 WeakPolarHBondContact CD-O 3.43Å; P82-I109 HydrophobicContact CG-CG2 3.66Å; P82-F239 HydrophobicContact CB-CB 4.47Å; P82-F239 HydrophobicContact CB-CD2 4Å; P82-F239 HydrophobicContact CB-CE2 4.47Å; P82-F239 HydrophobicContact CB-CG 4.16Å | ||
| 83 | T | 96 | Very high | 96.1 | Very high | 127 Ų | 127 | 61.6 Ų | 61.6 | 78% | 0.779 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -56.1 | -28.9 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | Y85 K86 | T83-Y85 PolarHBondContact O-N 2.87Å; T83-K86 VanDerWaalsContact O-CB 3.3Å; T83-K86 WeakPolarHBondContact O-CB 3.33Å; T83-K86 PolarHBondContact O-N 2.82Å; T83-K86 VanDerWaalsContact O-N 3.15Å |
| 84 | T | 95.8 | Very high | 95.8 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -61.7 | -19 | 175.3 | 49.2 | 0 | 0 | 0 | 0 | 114 | P82 Q88 | P82-T84 WeakPolarHBondContact CB-OG1 3.48Å; P82-T84 WeakPolarHBondContact CG-OG1 3.12Å; P82-T84 PolarHBondContact O-N 3.37Å; P82-T84 VanDerWaalsContact O-N 3.08Å; T84-Q88 PolarHBondContact O-OE1 3.06Å |
| 85 | Y | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -99.6 | -5.9 | 177.9 | -164.5 | -109.8 | 0 | 0 | 0 | 114.1 | G45 H46 Y81 P82 T83 N87 Q88 C89 L92 L103 P107 D108 | G45-Y85 VanDerWaalsContact C-OH 3.25Å; G45-Y85 VanDerWaalsContact O-CE1 3.27Å; G45-Y85 WeakPolarHBondContact O-CE1 3.5Å; H46-Y85 WeakPolarHBondContact CA-OH 3.24Å; H46-Y85 WeakPolarHBondContact CB-OH 3.45Å; H46-Y85 PolarHBondContact N-OH 3.5Å; Y81-Y85 HydrophobicContact CD2-CD1 4.19Å; Y81-Y85 HydrophobicContact CG-CD1 4.04Å; P82-Y85 PolarHBondContact O-N 3.34Å; T83-Y85 PolarHBondContact O-N 2.87Å; Y85-N87 VanDerWaalsContact C-N 3.29Å; Y85-N87 PolarHBondContact O-N 3.42Å; Y85-Q88 VanDerWaalsContact C-OE1 3.31Å; Y85-Q88 HydrophobicContact CD2-CB 3.85Å; Y85-Q88 HydrophobicContact CD2-CG 4.19Å; Y85-Q88 HydrophobicContact CE1-CB 4.46Å; Y85-Q88 HydrophobicContact CE2-CB 3.5Å; Y85-Q88 VanDerWaalsContact CE2-CB 3.5Å; Y85-Q88 HydrophobicContact CE2-CG 4.03Å; Y85-Q88 HydrophobicContact CG-CB 4.48Å; Y85-Q88 PolarHBondContact O-N 3.48Å; Y85-Q88 PolarHBondContact O-OE1 3.03Å; Y85-C89 HydrophobicContact CD1-CB 4.08Å; Y85-C89 HydrophobicContact CE1-CB 3.97Å; Y85-C89 PolarHBondContact O-N 3.48Å; Y85-L92 WeakPolarHBondContact OH-CD1 3.3Å; Y85-L103 WeakPolarHBondContact CE2-O 3.43Å; Y85-L103 PolarHBondContact OH-O 3.04Å; Y85-P107 WeakPolarHBondContact CB-O 3.24Å; Y85-P107 HydrophobicContact CD2-CB 4.16Å; Y85-P107 HydrophobicContact CD2-CG 4.37Å; Y85-P107 VanDerWaalsContact CD2-O 3.26Å; Y85-P107 WeakPolarHBondContact CD2-O 3.5Å; Y85-D108 HydrophobicContact CD2-CB 4.33Å; Y85-D108 HydrophobicContact CE2-CB 3.88Å |
| 86 | K | 95.5 | Very high | 94.5 | Very high | 131 Ų | 131 | 61.7 Ų | 61.7 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.6 | -38.9 | -171.7 | -175.5 | 179.2 | 178.4 | -179.1 | 0 | 113 | T83 H90 | T83-K86 VanDerWaalsContact O-CB 3.3Å; T83-K86 WeakPolarHBondContact O-CB 3.33Å; T83-K86 PolarHBondContact O-N 2.82Å; T83-K86 VanDerWaalsContact O-N 3.15Å; K86-H90 WeakPolarHBondContact O-CB 3.34Å; K86-H90 PolarHBondContact O-N 2.99Å |
| 87 | N | 93.6 | Very high | 93.6 | Very high | 119 Ų | 119 | 64.6 Ų | 64.6 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71.6 | -40.1 | -177 | -69.7 | -16.7 | 0 | 0 | 0 | 111.8 | Y85 H90 Q91 | Y85-N87 VanDerWaalsContact C-N 3.29Å; Y85-N87 PolarHBondContact O-N 3.42Å; N87-H90 PolarHBondContact O-N 3.42Å; N87-Q91 WeakPolarHBondContact O-CG 3.43Å; N87-Q91 PolarHBondContact O-N 3.31Å |
| 88 | Q | 94.5 | Very high | 92.5 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 11% | 0.107 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 175.9 | -65.1 | 84 | -20.6 | 0 | 0 | 110.1 | T84 Y85 H90 Q91 L92 E102 L103 | T84-Q88 PolarHBondContact O-OE1 3.06Å; Y85-Q88 VanDerWaalsContact C-OE1 3.31Å; Y85-Q88 HydrophobicContact CD2-CB 3.85Å; Y85-Q88 HydrophobicContact CD2-CG 4.19Å; Y85-Q88 HydrophobicContact CE1-CB 4.46Å; Y85-Q88 HydrophobicContact CE2-CB 3.5Å; Y85-Q88 VanDerWaalsContact CE2-CB 3.5Å; Y85-Q88 HydrophobicContact CE2-CG 4.03Å; Y85-Q88 HydrophobicContact CG-CB 4.48Å; Y85-Q88 PolarHBondContact O-N 3.48Å; Y85-Q88 PolarHBondContact O-OE1 3.03Å; Q88-H90 VanDerWaalsContact C-N 3.32Å; Q88-H90 PolarHBondContact O-N 3.31Å; Q88-Q91 PolarHBondContact O-N 3.34Å; Q88-L92 PolarHBondContact O-N 2.78Å; Q88-E102 WeakPolarHBondContact CG-O 3.33Å; Q88-L103 HydrophobicContact CB-CD2 4.28Å |
| 89 | C | 94.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.4 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | C49 Y81 Y85 Q91 L92 N93 | C49-C89 HydrophobicContact CB-CB 3.93Å; C49-C89 WeakPolarHBondContact CB-SG 3.26Å; C49-C89 VanDerWaalsContact SG-CA 3.52Å; C49-C89 WeakPolarHBondContact SG-CB 3.47Å; C49-C89 CovalentContact SG-SG 2.02Å; C49-C89 PolarHBondContact SG-SG 3.04Å; Y81-C89 HydrophobicContact CE1-CB 4.33Å; Y81-C89 VanDerWaalsContact CE1-SG 3.58Å; Y81-C89 HydrophobicContact CE2-CB 4.18Å; Y81-C89 PolarHBondContact OH-SG 3.3Å; Y85-C89 HydrophobicContact CD1-CB 4.08Å; Y85-C89 HydrophobicContact CE1-CB 3.97Å; Y85-C89 PolarHBondContact O-N 3.48Å; C89-Q91 PolarHBondContact O-N 3.46Å; C89-L92 PolarHBondContact O-N 2.85Å; C89-N93 WeakPolarHBondContact O-CB 3.44Å; C89-N93 PolarHBondContact O-N 2.58Å; C89-N93 PolarHBondContact O-ND2 2.94Å |
| 90 | H | 94.5 | Very high | 91 | Very high | 129 Ų | 129 | 65.3 Ų | 65.3 | 60% | 0.597 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 176.1 | -178.3 | -82.9 | 0 | 0 | 0 | 112.1 | K86 N87 Q88 N93 S94 | K86-H90 WeakPolarHBondContact O-CB 3.34Å; K86-H90 PolarHBondContact O-N 2.99Å; N87-H90 PolarHBondContact O-N 3.42Å; Q88-H90 VanDerWaalsContact C-N 3.32Å; Q88-H90 PolarHBondContact O-N 3.31Å; H90-N93 PolarHBondContact O-N 2.89Å; H90-S94 PolarHBondContact O-N 3.45Å; H90-S94 PolarHBondContact O-OG 2.85Å |
| 91 | Q | 92.9 | Very high | 90.5 | Very high | 49 Ų | 49 | 65.4 Ų | 65.4 | 23% | 0.229 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 176.4 | -73.9 | 178.4 | 75.2 | 0 | 0 | 112.5 | N87 Q88 C89 S94 G95 S96 L103 | N87-Q91 WeakPolarHBondContact O-CG 3.43Å; N87-Q91 PolarHBondContact O-N 3.31Å; Q88-Q91 PolarHBondContact O-N 3.34Å; C89-Q91 PolarHBondContact O-N 3.46Å; Q91-S94 PolarHBondContact O-N 2.84Å; Q91-S94 PolarHBondContact O-OG 2.74Å; Q91-S94 VanDerWaalsContact O-OG 3.07Å; Q91-G95 PolarHBondContact O-N 3.03Å; Q91-S96 PolarHBondContact O-N 2.99Å; Q91-L103 HydrophobicContact CB-CD2 3.79Å |
| 92 | L | 92.1 | Very high | 90.1 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 174.3 | -74.7 | 169 | 0 | 0 | 0 | 111.4 | H46 C49 Y85 Q88 C89 S94 G95 L103 | H46-L92 HydrophobicContact CB-CD1 3.84Å; C49-L92 HydrophobicContact CB-CB 3.88Å; C49-L92 HydrophobicContact CB-CD1 3.96Å; Y85-L92 WeakPolarHBondContact OH-CD1 3.3Å; Q88-L92 PolarHBondContact O-N 2.78Å; C89-L92 PolarHBondContact O-N 2.85Å; L92-S94 VanDerWaalsContact C-N 3.27Å; L92-S94 PolarHBondContact O-N 2.79Å; L92-G95 PolarHBondContact O-N 3.2Å; L92-L103 HydrophobicContact CD2-CD1 3.69Å; L92-L103 HydrophobicContact CG-CD1 4.13Å |
| 93 | N | 92.8 | Very high | 89.8 | Confident | 99 Ų | 99 | 64.7 Ų | 64.7 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.7 | -30.8 | 178.1 | -70.1 | -23.2 | 0 | 0 | 0 | 113 | G50 C89 H90 G95 | G50-N93 PolarHBondContact N-OD1 2.82Å; C89-N93 WeakPolarHBondContact O-CB 3.44Å; C89-N93 PolarHBondContact O-N 2.58Å; C89-N93 PolarHBondContact O-ND2 2.94Å; H90-N93 PolarHBondContact O-N 2.89Å; N93-G95 VanDerWaalsContact C-N 3.29Å |
| 94 | S | 92.2 | Very high | 89.6 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 3 | 175.8 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | H90 Q91 L92 S96 | H90-S94 PolarHBondContact O-N 3.45Å; H90-S94 PolarHBondContact O-OG 2.85Å; Q91-S94 PolarHBondContact O-N 2.84Å; Q91-S94 PolarHBondContact O-OG 2.74Å; Q91-S94 VanDerWaalsContact O-OG 3.07Å; L92-S94 VanDerWaalsContact C-N 3.27Å; L92-S94 PolarHBondContact O-N 2.79Å; S94-S96 PolarHBondContact O-N 3.35Å; S94-S96 PolarHBondContact O-OG 2.9Å; S94-S96 WeakPolarHBondContact OG-CB 3.46Å; S94-S96 PolarHBondContact OG-OG 2.87Å |
| 95 | G | 86.9 | Confident | 89.6 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 14.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q91 L92 N93 I97 | Q91-G95 PolarHBondContact O-N 3.03Å; L92-G95 PolarHBondContact O-N 3.2Å; N93-G95 VanDerWaalsContact C-N 3.29Å; G95-I97 PolarHBondContact O-N 2.67Å; G95-I97 VanDerWaalsContact O-N 3.15Å |
| 96 | S | 82.8 | Confident | 89.5 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | trans | -87.6 | 80.1 | -175.2 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | Q91 S94 | Q91-S96 PolarHBondContact O-N 2.99Å; S94-S96 PolarHBondContact O-N 3.35Å; S94-S96 PolarHBondContact O-OG 2.9Å; S94-S96 WeakPolarHBondContact OG-CB 3.46Å; S94-S96 PolarHBondContact OG-OG 2.87Å | ||
| 97 | I | 77.7 | Confident | 89.6 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 35% | 0.354 | 28% | 0.284 | S | S | . | . | trans | -99.4 | 16.8 | -173.1 | 61.8 | 169.3 | 0 | 0 | 0 | 114.5 | M1 G95 N99 H100 L103 | M1-I97 HydrophobicContact CB-CD1 4.32Å; G95-I97 PolarHBondContact O-N 2.67Å; G95-I97 VanDerWaalsContact O-N 3.15Å; I97-N99 PolarHBondContact O-N 2.72Å; I97-H100 PolarHBondContact O-N 2.82Å; I97-L103 HydrophobicContact CG2-CD1 4.36Å | ||
| 98 | S | 76.6 | Confident | 89.8 | Confident | 108 Ų | 108 | 43.5 Ų | 43.5 | 76% | 0.755 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27 | -178.2 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 99 | N | 80.7 | Confident | 89.9 | Confident | 57 Ų | 57 | 42.4 Ų | 42.4 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 49.3 | 179.5 | -71.2 | 1.7 | 0 | 0 | 0 | 111.3 | I97 D101 E102 | I97-N99 PolarHBondContact O-N 2.72Å; N99-D101 PolarHBondContact O-N 2.85Å; N99-D101 VanDerWaalsContact O-N 3.11Å; N99-E102 HydrophobicContact CB-CB 4.31Å; N99-E102 HydrophobicContact CB-CG 4.25Å; N99-E102 WeakPolarHBondContact CB-OE2 3.48Å; N99-E102 PolarHBondContact ND2-OE1 3.11Å; N99-E102 PolarHBondContact ND2-OE2 3.03Å; N99-E102 WeakPolarHBondContact O-CB 3.37Å; N99-E102 PolarHBondContact O-N 3.19Å |
| 100 | H | 82.5 | Confident | 90.1 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -53.1 | -39 | -173.7 | 177.2 | -86.9 | 0 | 0 | 0 | 114.7 | L3 I97 E102 L103 I222 | L3-H100 VanDerWaalsContact CB-CD2 3.47Å; L3-H100 WeakPolarHBondContact CB-CD2 3.34Å; L3-H100 VanDerWaalsContact CB-NE2 3.32Å; L3-H100 WeakPolarHBondContact CB-NE2 3.27Å; L3-H100 HydrophobicContact CD1-CB 3.23Å; L3-H100 WeakPolarHBondContact CD1-CD2 3.29Å; L3-H100 HydrophobicContact CD2-CB 3.73Å; L3-H100 WeakPolarHBondContact CD2-CE1 3.21Å; L3-H100 WeakPolarHBondContact CD2-ND1 3.46Å; L3-H100 HydrophobicContact CG-CB 3.92Å; L3-H100 PolarHBondContact O-CE1 2.84Å; I97-H100 PolarHBondContact O-N 2.82Å; H100-E102 PolarHBondContact O-N 2.96Å; H100-L103 VanDerWaalsContact O-CB 3.3Å; H100-L103 WeakPolarHBondContact O-CB 3.38Å; H100-L103 PolarHBondContact O-N 2.9Å; H100-I222 WeakPolarHBondContact CE1-CD1 3.32Å |
| 101 | D | 87.4 | Confident | 90.3 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 22% | 0.219 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -55 | -28.6 | 178.8 | -65.8 | -15.8 | 0 | 0 | 0 | 112.5 | N99 L103 K182 I183 P184 | N99-D101 PolarHBondContact O-N 2.85Å; N99-D101 VanDerWaalsContact O-N 3.11Å; D101-L103 VanDerWaalsContact C-N 3.33Å; D101-K182 HydrophobicContact CB-CB 3.56Å; D101-K182 HydrophobicContact CB-CD 4.46Å; D101-I183 HydrophobicContact CB-CG1 3.87Å; D101-I183 VanDerWaalsContact O-CA 3.3Å; D101-I183 WeakPolarHBondContact O-CA 3.16Å; D101-P184 WeakPolarHBondContact O-CD 3.15Å |
| 102 | E | 88.7 | Confident | 90.6 | Very high | 71 Ų | 71 | 33.9 Ų | 33.9 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -82.2 | -10.3 | 179 | -62.2 | 170.6 | -165.5 | 0 | 0 | 113.3 | Q88 N99 H100 | Q88-E102 WeakPolarHBondContact CG-O 3.33Å; N99-E102 HydrophobicContact CB-CB 4.31Å; N99-E102 HydrophobicContact CB-CG 4.25Å; N99-E102 WeakPolarHBondContact CB-OE2 3.48Å; N99-E102 PolarHBondContact ND2-OE1 3.11Å; N99-E102 PolarHBondContact ND2-OE2 3.03Å; N99-E102 WeakPolarHBondContact O-CB 3.37Å; N99-E102 PolarHBondContact O-N 3.19Å; H100-E102 PolarHBondContact O-N 2.96Å |
| 103 | L | 91 | Very high | 90.9 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -84.6 | -13.7 | -176.5 | -56.3 | -179.9 | 0 | 0 | 0 | 113.2 | Y85 Q88 Q91 L92 I97 H100 D101 | Y85-L103 WeakPolarHBondContact CE2-O 3.43Å; Y85-L103 PolarHBondContact OH-O 3.04Å; Q88-L103 HydrophobicContact CB-CD2 4.28Å; Q91-L103 HydrophobicContact CB-CD2 3.79Å; L92-L103 HydrophobicContact CD2-CD1 3.69Å; L92-L103 HydrophobicContact CG-CD1 4.13Å; I97-L103 HydrophobicContact CG2-CD1 4.36Å; H100-L103 VanDerWaalsContact O-CB 3.3Å; H100-L103 WeakPolarHBondContact O-CB 3.38Å; H100-L103 PolarHBondContact O-N 2.9Å; D101-L103 VanDerWaalsContact C-N 3.33Å |
| 104 | G | 92.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -113.5 | -150.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S221 | G104-S221 WeakPolarHBondContact CA-OG 3.31Š|
| 105 | G | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 85.6 | -149.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P107 D108 P184 S221 | G105-P107 VanDerWaalsContact C-CD 3.48Å; G105-D108 VanDerWaalsContact O-CB 3.32Å; G105-D108 WeakPolarHBondContact O-CB 3.28Å; G105-D108 PolarHBondContact O-N 3.25Å; G105-P184 CarbonylContact C-O 3.53Å; G105-P184 WeakPolarHBondContact CA-O 3.25Å; G105-S221 PolarHBondContact N-OG 3.01Å; G105-S221 PolarHBondContact O-OG 2.97Å |
| 106 | S | 96 | Very high | 91.9 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -52.2 | -179.6 | -172.7 | 0 | 0 | 0 | 0 | 114 | D108 P184 D186 S231 H236 | S106-D108 PolarHBondContact O-N 2.84Å; S106-D108 VanDerWaalsContact O-N 3.13Å; S106-P184 PolarHBondContact N-O 3.02Å; S106-D186 WeakPolarHBondContact CB-O 3.09Å; S106-D186 PolarHBondContact OG-O 2.85Å; S106-S231 VanDerWaalsContact O-CB 3.3Å; S106-S231 WeakPolarHBondContact O-CB 3.18Å; S106-S231 PolarHBondContact O-OG 3.27Å; S106-H236 PolarHBondContact O-CE1 3.22Å |
| 107 | P | 96.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.1 | -173.5 | 31.9 | -36.9 | 0 | 0 | 0 | 113.9 | Y85 G105 I109 P184 | Y85-P107 WeakPolarHBondContact CB-O 3.24Å; Y85-P107 HydrophobicContact CD2-CB 4.16Å; Y85-P107 HydrophobicContact CD2-CG 4.37Å; Y85-P107 VanDerWaalsContact CD2-O 3.26Å; Y85-P107 WeakPolarHBondContact CD2-O 3.5Å; G105-P107 VanDerWaalsContact C-CD 3.48Å; P107-I109 VanDerWaalsContact C-N 3.33Å; P107-I109 PolarHBondContact O-N 3.37Å; P107-P184 HydrophobicContact CG-CB 4.47Å |
| 108 | D | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -78.8 | 76.1 | -169.6 | -175.3 | 21.8 | 0 | 0 | 0 | 112.7 | G45 H46 Y85 G105 S106 S221 S231 | G45-D108 WeakPolarHBondContact CA-OD1 3.3Å; G45-D108 PolarHBondContact N-OD1 2.82Å; H46-D108 IonicContact CE1-OD2 3.44Å; H46-D108 PolarHBondContact CE1-OD2 2.84Å; H46-D108 IonicContact CG-OD1 3.93Å; H46-D108 IonicContact CG-OD2 3.86Å; H46-D108 PolarHBondContact N-OD1 2.9Å; H46-D108 IonicContact ND1-OD1 2.58Å; H46-D108 PolarHBondContact ND1-OD1 2.99Å; H46-D108 IonicContact ND1-OD2 3.58Å; H46-D108 PolarHBondContact ND1-OD2 3.36Å; Y85-D108 HydrophobicContact CD2-CB 4.33Å; Y85-D108 HydrophobicContact CE2-CB 3.88Å; G105-D108 VanDerWaalsContact O-CB 3.32Å; G105-D108 WeakPolarHBondContact O-CB 3.28Å; G105-D108 PolarHBondContact O-N 3.25Å; S106-D108 PolarHBondContact O-N 2.84Å; S106-D108 VanDerWaalsContact O-N 3.13Å; D108-S221 VanDerWaalsContact CB-OG 3.27Å; D108-S221 WeakPolarHBondContact CB-OG 3.34Å; D108-S221 VanDerWaalsContact CG-OG 3.31Å; D108-S221 WeakPolarHBondContact OD2-CA 3.47Å; D108-S221 WeakPolarHBondContact OD2-CB 3.48Å; D108-S221 PolarHBondContact OD2-OG 2.89Å; D108-S231 WeakPolarHBondContact O-CB 3.08Å | ||
| 109 | I | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -142.2 | 144.5 | 179.9 | -166.5 | 175.9 | 0 | 0 | 0 | 110.3 | L42 Y81 P82 P107 I219 H236 F239 I240 | L42-I109 HydrophobicContact CD1-CD1 3.94Å; L42-I109 HydrophobicContact CD1-CG1 3.93Å; Y81-I109 VanDerWaalsContact CB-O 3.31Å; Y81-I109 WeakPolarHBondContact CB-O 3.25Å; P82-I109 VanDerWaalsContact CD-O 3.31Å; P82-I109 WeakPolarHBondContact CD-O 3.43Å; P82-I109 HydrophobicContact CG-CG2 3.66Å; P107-I109 VanDerWaalsContact C-N 3.33Å; P107-I109 PolarHBondContact O-N 3.37Å; I109-I219 HydrophobicContact CD1-CD1 3.48Å; I109-I219 VanDerWaalsContact CD1-CD1 3.48Å; I109-I219 HydrophobicContact CD1-CG1 4.42Å; I109-I219 HydrophobicContact CG1-CD1 3.88Å; I109-I219 HydrophobicContact CG1-CG1 4.33Å; I109-H236 HydrophobicContact CD1-CB 3.71Å; I109-H236 HydrophobicContact CG2-CB 4.35Å; I109-F239 HydrophobicContact CG2-CD1 4.36Å; I109-F239 HydrophobicContact CG2-CE1 4.29Å; I109-I240 HydrophobicContact CD1-CD1 4.03Å; I109-I240 HydrophobicContact CD1-CG1 4.26Å | ||
| 110 | S | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 163.6 | 172 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | T43 A44 F79 I80 | T43-S110 VanDerWaalsContact CG2-OG 3.3Å; T43-S110 WeakPolarHBondContact CG2-OG 3.49Å; T43-S110 PolarHBondContact N-O 3.29Å; T43-S110 PolarHBondContact O-N 2.71Å; T43-S110 VanDerWaalsContact O-O 3.07Å; A44-S110 PolarHBondContact O-OG 3.18Å; F79-S110 WeakPolarHBondContact CD1-OG 3.46Å; I80-S110 CarbonylContact O-C 3.54Å; I80-S110 VanDerWaalsContact O-CA 3.25Å; I80-S110 WeakPolarHBondContact O-CA 3.23Å; I80-S110 WeakPolarHBondContact O-CB 2.93Å |
| 111 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.7 | 170.8 | -64.8 | 171 | 0 | 0 | 0 | 108.1 | I36 K40 I41 L42 F79 I80 M113 F239 Q243 | I36-I111 HydrophobicContact CD1-CD1 3.84Å; I36-I111 HydrophobicContact CD1-CG1 4.04Å; I36-I111 HydrophobicContact CD1-CG2 4.43Å; K40-I111 HydrophobicContact CB-CG2 3.99Å; K40-I111 HydrophobicContact CG-CG2 4.33Å; I41-I111 CarbonylContact O-C 3.57Å; I41-I111 WeakPolarHBondContact O-CA 3.28Å; L42-I111 HydrophobicContact CD1-CD1 4.39Å; L42-I111 HydrophobicContact CD1-CG1 3.78Å; F79-I111 CarbonylContact C-O 3.4Å; F79-I111 WeakPolarHBondContact CA-O 3.43Å; I80-I111 PolarHBondContact N-O 3.29Å; I80-I111 PolarHBondContact O-N 2.78Å; I111-M113 HydrophobicContact CG2-SD 4.13Å; I111-F239 HydrophobicContact CD1-CE1 3.88Å; I111-F239 HydrophobicContact CD1-CZ 4.09Å; I111-F239 HydrophobicContact CG1-CE1 4.03Å; I111-F239 HydrophobicContact CG1-CZ 4.18Å; I111-Q243 HydrophobicContact CD1-CB 3.66Å; I111-Q243 HydrophobicContact CD1-CG 3.84Å |
| 112 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.6 | 171.4 | -178.6 | 57.8 | 0 | 0 | 0 | 110 | L24 I41 Y54 V56 H78 F79 L114 | L24-L112 HydrophobicContact CD2-CD2 4.28Å; I41-L112 HydrophobicContact CB-CB 4.22Å; I41-L112 PolarHBondContact N-O 2.92Å; I41-L112 PolarHBondContact O-N 2.76Å; Y54-L112 HydrophobicContact CD1-CD1 3.93Å; Y54-L112 HydrophobicContact CE1-CD1 4.12Å; V56-L112 HydrophobicContact CG2-CD2 3.53Å; H78-L112 WeakPolarHBondContact O-CD1 2.93Å; F79-L112 HydrophobicContact CD1-CB 3.87Å; F79-L112 HydrophobicContact CD1-CD1 4.01Å; F79-L112 HydrophobicContact CD1-CG 4.49Å; F79-L112 HydrophobicContact CD2-CD1 3.75Å; F79-L112 HydrophobicContact CE1-CB 3.62Å; F79-L112 HydrophobicContact CE1-CD1 3.89Å; F79-L112 HydrophobicContact CE1-CD2 4.22Å; F79-L112 HydrophobicContact CE1-CG 4.11Å; F79-L112 HydrophobicContact CE2-CD1 3.57Å; F79-L112 HydrophobicContact CE2-CD2 4.49Å; F79-L112 HydrophobicContact CE2-CG 4.49Å; F79-L112 HydrophobicContact CG-CD1 3.96Å; F79-L112 HydrophobicContact CZ-CB 4.12Å; F79-L112 HydrophobicContact CZ-CD1 3.66Å; F79-L112 HydrophobicContact CZ-CD2 3.9Å; F79-L112 HydrophobicContact CZ-CG 4.1Å; L112-L114 HydrophobicContact CD2-CD2 4.31Å; L112-L114 HydrophobicContact CG-CD2 4.2Å |
| 113 | M | 98.3 | Very high | 96.4 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.1 | 176.9 | -60.7 | -59.9 | -60.9 | 0 | 0 | 110.2 | K40 G76 T77 H78 I80 I111 | K40-M113 HydrophobicContact CD-CE 4.45Å; K40-M113 HydrophobicContact CD-SD 4.3Å; K40-M113 HydrophobicContact CG-CE 4.06Å; K40-M113 HydrophobicContact CG-SD 3.8Å; G76-M113 CarbonylContact C-O 3.56Å; G76-M113 WeakPolarHBondContact CA-O 3.34Å; T77-M113 PolarHBondContact N-O 3Å; T77-M113 WeakPolarHBondContact OG1-CB 3.28Å; T77-M113 PolarHBondContact OG1-O 3.33Å; H78-M113 WeakPolarHBondContact NE2-CG 3.12Å; H78-M113 PolarHBondContact O-N 2.85Å; I80-M113 HydrophobicContact CD1-CG 3.7Å; I80-M113 HydrophobicContact CD1-SD 3.91Å; I80-M113 HydrophobicContact CG1-CG 4.15Å; I111-M113 HydrophobicContact CG2-SD 4.13Å |
| 114 | L | 98.5 | Very high | 96.6 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 150.5 | -173.9 | -54.3 | -179.2 | 0 | 0 | 0 | 113.1 | D39 I41 V56 R74 L112 K116 F118 | D39-L114 HydrophobicContact CB-CB 4.29Å; D39-L114 WeakPolarHBondContact O-CG 3.23Å; D39-L114 PolarHBondContact O-N 2.59Å; I41-L114 HydrophobicContact CD1-CD1 4.21Å; I41-L114 HydrophobicContact CG1-CD1 4.06Å; I41-L114 HydrophobicContact CG1-CD2 4.08Å; I41-L114 HydrophobicContact CG1-CG 4.34Å; V56-L114 HydrophobicContact CB-CD2 4.35Å; V56-L114 HydrophobicContact CG2-CD2 3.71Å; R74-L114 HydrophobicContact CB-CB 4.44Å; R74-L114 HydrophobicContact CB-CD1 4.14Å; R74-L114 HydrophobicContact CB-CD2 4.18Å; R74-L114 HydrophobicContact CB-CG 4.49Å; R74-L114 HydrophobicContact CG-CD1 4.07Å; L112-L114 HydrophobicContact CD2-CD2 4.31Å; L112-L114 HydrophobicContact CG-CD2 4.2Å; L114-K116 VanDerWaalsContact C-N 3.25Å; L114-K116 PolarHBondContact O-N 3.36Å; L114-F118 HydrophobicContact CD1-CD2 3.75Å; L114-F118 HydrophobicContact CD1-CE2 3.28Å; L114-F118 HydrophobicContact CD1-CZ 4.11Å |
| 115 | N | 98.1 | Very high | 96.8 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -68.9 | -21.2 | 177.5 | 70.7 | -32.3 | 0 | 0 | 0 | 114 | L75 T77 | L75-N115 PolarHBondContact N-OD1 3.43Å; L75-N115 WeakPolarHBondContact O-CB 3.5Å; L75-N115 PolarHBondContact O-N 2.92Å; L75-N115 PolarHBondContact O-OD1 3.28Å; L75-N115 VanDerWaalsContact O-OD1 3.11Å; T77-N115 HydrophobicContact CG2-CB 3.86Å |
| 116 | K | 97.4 | Very high | 97 | Very high | 112 Ų | 112 | 51.7 Ų | 51.7 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -154.8 | 151.6 | 175.5 | 69.3 | -174 | 179.2 | 177.8 | 0 | 110.4 | Y73 R74 L114 | Y73-K116 WeakPolarHBondContact O-CE 3.36Å; R74-K116 VanDerWaalsContact CD-CE 3.4Å; R74-K116 WeakPolarHBondContact CD-O 3.24Å; R74-K116 VanDerWaalsContact NE-CG 3.31Å; R74-K116 PolarHBondContact NE-O 2.88Å; L114-K116 VanDerWaalsContact C-N 3.25Å; L114-K116 PolarHBondContact O-N 3.36Å |
| 117 | K | 98.3 | Very high | 97.1 | Very high | 122 Ų | 122 | 54.5 Ų | 54.5 | 53% | 0.53 | 27% | 0.266 | S | S | . | . | trans | -66 | 146.3 | 178.8 | -66.8 | 179.3 | 178 | -176.7 | 0 | 112 | P38 D39 R74 | P38-K117 HydrophobicContact CB-CB 3.84Å; P38-K117 HydrophobicContact CB-CD 4.07Å; P38-K117 HydrophobicContact CB-CG 3.89Å; P38-K117 CarbonylContact O-C 3.55Å; P38-K117 VanDerWaalsContact O-CA 3.27Å; P38-K117 WeakPolarHBondContact O-CA 3.35Å; D39-K117 HydrophobicContact CB-CG 3.89Å; D39-K117 WeakPolarHBondContact OD2-CE 3.32Å; R74-K117 PolarHBondContact NE-O 2.64Å; R74-K117 VanDerWaalsContact NE-O 3.09Å; R74-K117 PolarHBondContact NH2-O 2.83Å | ||
| 118 | F | 98.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | trans | -65.5 | 144 | 164.3 | -78.4 | -69.7 | 0 | 0 | 0 | 110.9 | V22 I35 P38 I41 V56 A58 Q72 R74 L114 L120 I125 | V22-F118 HydrophobicContact CG1-CZ 4.33Å; I35-F118 HydrophobicContact CD1-CD2 4.06Å; I35-F118 HydrophobicContact CD1-CE2 4.14Å; I35-F118 HydrophobicContact CD1-CG 4.48Å; I35-F118 HydrophobicContact CG1-CD2 4.3Å; I35-F118 HydrophobicContact CG1-CE2 4.18Å; P38-F118 PolarHBondContact O-N 2.94Å; I41-F118 HydrophobicContact CD1-CE2 3.94Å; V56-F118 HydrophobicContact CG1-CE2 4.41Å; V56-F118 HydrophobicContact CG1-CZ 3.93Å; A58-F118 HydrophobicContact CB-CD1 4.07Å; A58-F118 HydrophobicContact CB-CE1 3.42Å; A58-F118 VanDerWaalsContact CB-CE1 3.42Å; A58-F118 HydrophobicContact CB-CZ 3.79Å; Q72-F118 HydrophobicContact CB-CD1 3.75Å; Q72-F118 HydrophobicContact CB-CE1 3.76Å; R74-F118 HydrophobicContact CB-CZ 4.24Å; R74-F118 HydrophobicContact CG-CD1 4.05Å; R74-F118 HydrophobicContact CG-CD2 4.45Å; R74-F118 HydrophobicContact CG-CE1 3.5Å; R74-F118 HydrophobicContact CG-CE2 3.96Å; R74-F118 HydrophobicContact CG-CG 4.49Å; R74-F118 HydrophobicContact CG-CZ 3.45Å; R74-F118 VanDerWaalsContact CG-CZ 3.45Å; L114-F118 HydrophobicContact CD1-CD2 3.75Å; L114-F118 HydrophobicContact CD1-CE2 3.28Å; L114-F118 HydrophobicContact CD1-CZ 4.11Å; F118-L120 HydrophobicContact CB-CD2 4.16Å; F118-L120 PolarHBondContact O-N 3.13Å; F118-I125 HydrophobicContact CB-CG2 4.03Å; F118-I125 HydrophobicContact CD1-CD1 4.33Å; F118-I125 HydrophobicContact CD1-CG2 4.37Å; F118-I125 HydrophobicContact CG-CG2 4.22Å | ||
| 119 | H | 97.8 | Very high | 97.1 | Very high | 142 Ų | 142 | 59.9 Ų | 59.9 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | trans | -81.8 | 107 | 163.8 | -56.1 | 158.9 | 0 | 0 | 0 | 107.3 | Q72 | Q72-H119 PolarHBondContact NE2-O 2.97Š| ||
| 120 | L | 97.2 | Very high | 97 | Very high | 80 Ų | 80 | 61.3 Ų | 61.3 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | trans | -74.1 | 139 | -179.9 | -55.3 | -176.6 | 0 | 0 | 0 | 110.3 | P38 F118 I125 I127 | P38-L120 HydrophobicContact CG-CD1 4.19Å; F118-L120 HydrophobicContact CB-CD2 4.16Å; F118-L120 PolarHBondContact O-N 3.13Å; L120-I125 CarbonylContact C-O 3.5Å; L120-I125 WeakPolarHBondContact CA-O 3.18Å; L120-I125 HydrophobicContact CD2-CG2 3.95Å; L120-I127 HydrophobicContact CD1-CD1 3.82Å; L120-I127 HydrophobicContact CD1-CG1 3.91Å; L120-I127 HydrophobicContact CD2-CG1 4.45Å | ||
| 121 | S | 94.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -152.4 | 127.5 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | G123 W124 I125 | S121-G123 PolarHBondContact O-N 3.5Å; S121-W124 PolarHBondContact O-N 3.46Å; S121-I125 PolarHBondContact N-O 3.18Å; S121-I125 PolarHBondContact O-N 3.48Å |
| 122 | K | 93.5 | Very high | 96.7 | Very high | 185 Ų | 185 | 63.6 Ų | 63.6 | 80% | 0.804 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 129.6 | -177.7 | -173.9 | 179 | -179.5 | 179 | 0 | 110.8 | W124 E126 | K122-W124 VanDerWaalsContact C-N 3.29Å; K122-W124 VanDerWaalsContact O-CD1 3.31Å; K122-E126 WeakPolarHBondContact CA-OE1 3.27Å |
| 123 | G | 91.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 4.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G16 S121 E126 | G16-G123 WeakPolarHBondContact CA-O 3.41Å; S121-G123 PolarHBondContact O-N 3.5Å; G123-E126 PolarHBondContact N-OE1 3.18Å |
| 124 | W | 94.2 | Very high | 95.8 | Very high | 123 Ų | 123 | 68.5 Ų | 68.5 | 47% | 0.466 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -59.7 | -178.9 | -61 | 89.8 | 0 | 0 | 0 | 111.9 | L15 P19 S121 K122 | L15-W124 HydrophobicContact CD2-CZ3 3.89Å; P19-W124 VanDerWaalsContact CB-C 3.49Å; P19-W124 WeakPolarHBondContact CB-O 3.47Å; S121-W124 PolarHBondContact O-N 3.46Å; K122-W124 VanDerWaalsContact C-N 3.29Å; K122-W124 VanDerWaalsContact O-CD1 3.31Å |
| 125 | I | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -138.5 | 112.1 | 178.7 | -64 | 169.5 | 0 | 0 | 0 | 108.7 | P19 I35 A58 N59 Q72 F118 L120 S121 | P19-I125 VanDerWaalsContact O-CA 3.28Å; P19-I125 WeakPolarHBondContact O-CA 3.28Å; I35-I125 HydrophobicContact CD1-CG2 3.56Å; A58-I125 HydrophobicContact CB-CD1 3.82Å; A58-I125 HydrophobicContact CB-CG1 4.06Å; N59-I125 HydrophobicContact CB-CD1 3.91Å; N59-I125 HydrophobicContact CB-CG1 3.85Å; Q72-I125 HydrophobicContact CB-CD1 3.73Å; Q72-I125 VanDerWaalsContact CD-CD1 3.45Å; Q72-I125 HydrophobicContact CG-CD1 3.6Å; F118-I125 HydrophobicContact CB-CG2 4.03Å; F118-I125 HydrophobicContact CD1-CD1 4.33Å; F118-I125 HydrophobicContact CD1-CG2 4.37Å; F118-I125 HydrophobicContact CG-CG2 4.22Å; L120-I125 CarbonylContact C-O 3.5Å; L120-I125 WeakPolarHBondContact CA-O 3.18Å; L120-I125 HydrophobicContact CD2-CG2 3.95Å; S121-I125 PolarHBondContact N-O 3.18Å; S121-I125 PolarHBondContact O-N 3.48Å |
| 126 | E | 97.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 67.9 Ų | 67.9 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | trans | -131.3 | 165.7 | -177 | -60.1 | -170.8 | -147.5 | 0 | 0 | 111.9 | P19 M20 K122 G123 | P19-E126 HydrophobicContact CB-CB 4.19Å; P19-E126 HydrophobicContact CB-CG 4.01Å; P19-E126 HydrophobicContact CG-CB 3.86Å; P19-E126 HydrophobicContact CG-CG 3.73Å; P19-E126 PolarHBondContact O-N 3.23Å; P19-E126 VanDerWaalsContact O-N 3.07Å; M20-E126 VanDerWaalsContact CA-O 3.3Å; M20-E126 WeakPolarHBondContact CA-O 3.27Å; M20-E126 WeakPolarHBondContact CB-O 2.92Å; K122-E126 WeakPolarHBondContact CA-OE1 3.27Å; G123-E126 PolarHBondContact N-OE1 3.18Å | ||
| 127 | I | 98 | Very high | 91.8 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 35% | 0.349 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 127.2 | 173.8 | -64.4 | 172.5 | 0 | 0 | 0 | 108.5 | I35 I36 P38 L120 | I35-I127 HydrophobicContact CG2-CG1 4.39Å; I36-I127 WeakPolarHBondContact O-CG2 3.46Å; P38-I127 HydrophobicContact CG-CD1 4.42Å; L120-I127 HydrophobicContact CD1-CD1 3.82Å; L120-I127 HydrophobicContact CD1-CG1 3.91Å; L120-I127 HydrophobicContact CD2-CG1 4.45Å |
| 128 | G | 97.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 133.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I35 | I35-G128 PolarHBondContact O-N 3.35Š|
| 129 | L | 96.7 | Very high | 88.1 | Confident | 117 Ų | 117 | 71.1 Ų | 71.1 | 61% | 0.613 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 127.2 | 177.6 | -59.9 | -179.1 | 0 | 0 | 0 | 110 | R215 V216 | L129-R215 HydrophobicContact CB-CG 4.32Å; L129-R215 CarbonylContact O-C 3.39Å; L129-R215 VanDerWaalsContact O-CA 3.28Å; L129-R215 WeakPolarHBondContact O-CA 3.37Å; L129-V216 PolarHBondContact O-N 3.39Å |
| 130 | L | 97.3 | Very high | 86.2 | Confident | 31 Ų | 31 | 71.7 Ų | 71.7 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -95.6 | 136 | 179.7 | -57.7 | -174.1 | 0 | 0 | 0 | 110.9 | I36 L42 Y132 V216 V233 I240 | I36-L130 HydrophobicContact CG2-CD1 4.05Å; I36-L130 HydrophobicContact CG2-CD2 3.93Å; I36-L130 HydrophobicContact CG2-CG 4.27Å; L42-L130 HydrophobicContact CD2-CD2 4.11Å; L130-Y132 HydrophobicContact CB-CD2 4.42Å; L130-Y132 HydrophobicContact CB-CE1 4.47Å; L130-Y132 HydrophobicContact CB-CE2 3.85Å; L130-Y132 HydrophobicContact CD1-CE1 4.35Å; L130-Y132 HydrophobicContact CD1-CE2 4.49Å; L130-Y132 VanDerWaalsContact CD1-OH 3.28Å; L130-Y132 WeakPolarHBondContact CD1-OH 3.45Å; L130-V216 HydrophobicContact CD2-CB 3.64Å; L130-V216 HydrophobicContact CD2-CG1 4.1Å; L130-V216 HydrophobicContact CD2-CG2 4.03Å; L130-V233 HydrophobicContact CB-CG1 4.07Å; L130-I240 HydrophobicContact CD1-CG2 3.66Å |
| 131 | N | 95.3 | Very high | 84.3 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.053 | 36% | 0.36 | C | S | . | . | trans | -105.2 | 101.3 | 172.6 | 179.4 | 6 | 0 | 0 | 0 | 110.3 | N133 Y134 D211 R215 V216 V217 | N131-N133 VanDerWaalsContact C-N 3.29Å; N131-N133 PolarHBondContact O-N 3.19Å; N131-N133 PolarHBondContact OD1-N 3.38Å; N131-Y134 PolarHBondContact OD1-N 3.47Å; N131-D211 PolarHBondContact ND2-OD2 3.13Å; N131-R215 HydrophobicContact CB-CB 3.75Å; N131-R215 PolarHBondContact ND2-NH2 3.08Å; N131-R215 VanDerWaalsContact ND2-NH2 3.11Å; N131-V216 PolarHBondContact N-O 2.04Å; N131-V217 HydrophobicContact CB-CG1 4Å | ||
| 132 | Y | 94.7 | Very high | 82.2 | Confident | 38 Ų | 38 | 72 Ų | 72 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.1 | 179.6 | -62 | -75.1 | 0 | 0 | 0 | 114.8 | L130 V233 T234 R237 I240 Q241 | L130-Y132 HydrophobicContact CB-CD2 4.42Å; L130-Y132 HydrophobicContact CB-CE1 4.47Å; L130-Y132 HydrophobicContact CB-CE2 3.85Å; L130-Y132 HydrophobicContact CD1-CE1 4.35Å; L130-Y132 HydrophobicContact CD1-CE2 4.49Å; L130-Y132 VanDerWaalsContact CD1-OH 3.28Å; L130-Y132 WeakPolarHBondContact CD1-OH 3.45Å; Y132-V233 HydrophobicContact CD1-CG1 3.5Å; Y132-V233 VanDerWaalsContact CD1-CG1 3.5Å; Y132-V233 HydrophobicContact CE1-CG1 3.66Å; Y132-V233 HydrophobicContact CG-CG1 4.2Å; Y132-T234 WeakPolarHBondContact O-CG2 3.32Å; Y132-T234 PolarHBondContact O-OG1 3.06Å; Y132-R237 HydrophobicContact CD1-CB 3.72Å; Y132-R237 HydrophobicContact CD1-CG 3.6Å; Y132-R237 HydrophobicContact CE1-CB 4.28Å; Y132-R237 HydrophobicContact CE1-CG 4.13Å; Y132-R237 HydrophobicContact CG-CG 4.07Å; Y132-I240 HydrophobicContact CE1-CB 4.2Å; Y132-I240 HydrophobicContact CE1-CD1 4.18Å; Y132-I240 HydrophobicContact CE1-CG2 4.24Å; Y132-I240 WeakPolarHBondContact OH-CG2 3.3Å; Y132-Q241 HydrophobicContact CE1-CG 4.36Å |
| 133 | N | 90.4 | Very high | 80 | Confident | 121 Ų | 121 | 71.8 Ų | 71.8 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | 0.6 | -174.9 | -60.9 | -30.8 | 0 | 0 | 0 | 112.5 | N131 | N131-N133 VanDerWaalsContact C-N 3.29Å; N131-N133 PolarHBondContact O-N 3.19Å; N131-N133 PolarHBondContact OD1-N 3.38Å |
| 134 | Y | 87.3 | Confident | 78.4 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 4% | 0.043 | 37% | 0.372 | C | S | . | . | trans | -74.5 | 126.9 | 177.5 | -174.1 | -98.8 | 0 | 0 | 0 | 110.4 | N131 M136 E141 F149 L174 L189 V217 T234 | N131-Y134 PolarHBondContact OD1-N 3.47Å; Y134-M136 HydrophobicContact CE1-CG 4.36Å; Y134-M136 HydrophobicContact CE1-SD 4.07Å; Y134-M136 PolarHBondContact OH-SD 3.05Å; Y134-E141 WeakPolarHBondContact CD2-OE2 3.48Å; Y134-E141 WeakPolarHBondContact CE2-OE2 3.5Å; Y134-F149 HydrophobicContact CD2-CE1 4.25Å; Y134-F149 HydrophobicContact CD2-CZ 4.21Å; Y134-F149 HydrophobicContact CE1-CE1 4.26Å; Y134-F149 HydrophobicContact CE1-CZ 4.23Å; Y134-F149 AromaticContact CE2-CE1 3.7Å; Y134-F149 HydrophobicContact CE2-CE1 3.7Å; Y134-F149 HydrophobicContact CE2-CE2 4.37Å; Y134-F149 AromaticContact CE2-CZ 3.28Å; Y134-F149 HydrophobicContact CE2-CZ 3.28Å; Y134-F149 AromaticContact CZ-CE1 3.71Å; Y134-F149 AromaticContact CZ-CZ 3.28Å; Y134-F149 WeakPolarHBondContact OH-CE2 3.46Å; Y134-F149 WeakPolarHBondContact OH-CZ 3.22Å; Y134-L174 HydrophobicContact CE1-CD1 3.56Å; Y134-L174 WeakPolarHBondContact OH-CD1 3.4Å; Y134-L189 HydrophobicContact CD1-CD1 4.01Å; Y134-L189 HydrophobicContact CD1-CD2 3.94Å; Y134-L189 HydrophobicContact CE1-CD1 4.13Å; Y134-L189 HydrophobicContact CE1-CD2 3.78Å; Y134-V217 HydrophobicContact CD1-CB 4Å; Y134-V217 HydrophobicContact CD1-CG1 4.23Å; Y134-V217 HydrophobicContact CD1-CG2 4.45Å; Y134-V217 HydrophobicContact CD2-CG1 4.23Å; Y134-V217 HydrophobicContact CG-CB 4.03Å; Y134-V217 HydrophobicContact CG-CG1 3.75Å; Y134-T234 PolarHBondContact N-OG1 3.12Å; Y134-T234 VanDerWaalsContact O-CB 3.3Å; Y134-T234 WeakPolarHBondContact O-CB 3.33Å; Y134-T234 PolarHBondContact O-OG1 3.4Å | ||
| 135 | S | 75.3 | Confident | 76.7 | Confident | 43 Ų | 43 | 76 Ų | 76 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | trans | -152.1 | 126.4 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | N137 D138 E141 | S135-N137 PolarHBondContact O-N 3.41Å; S135-N137 PolarHBondContact OG-N 3.06Å; S135-D138 PolarHBondContact O-N 3.43Å; S135-E141 PolarHBondContact N-OE2 3.32Å | ||
| 136 | M | 70.5 | Confident | 75.3 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.3 | 175 | -65.3 | -62.9 | -94.6 | 0 | 0 | 113.6 | Y134 L174 D175 L189 | Y134-M136 HydrophobicContact CE1-CG 4.36Å; Y134-M136 HydrophobicContact CE1-SD 4.07Å; Y134-M136 PolarHBondContact OH-SD 3.05Å; M136-L174 HydrophobicContact CE-CB 3.44Å; M136-L174 VanDerWaalsContact CE-CB 3.44Å; M136-L174 WeakPolarHBondContact CE-O 3.31Å; M136-L174 HydrophobicContact SD-CB 3.9Å; M136-D175 VanDerWaalsContact CE-C 3.44Å; M136-D175 VanDerWaalsContact CE-CA 3.48Å; M136-D175 WeakPolarHBondContact CE-O 3.27Å; M136-L189 HydrophobicContact CG-CD2 4.07Å |
| 137 | N | 65.4 | Low | 74.5 | Confident | 128 Ų | 128 | 80.1 Ų | 80.1 | 68% | 0.684 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.8 | 178.8 | -70.7 | -24.3 | 0 | 0 | 0 | 113.1 | S135 T139 | S135-N137 PolarHBondContact O-N 3.41Å; S135-N137 PolarHBondContact OG-N 3.06Å; N137-T139 PolarHBondContact O-N 3.37Å |
| 138 | D | 65.6 | Low | 74.1 | Confident | 72 Ų | 72 | 80 Ų | 80 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | trans | -67.6 | 130 | 176.1 | -165.1 | -22.5 | 0 | 0 | 0 | 109.6 | S135 Q140 E141 K142 | S135-D138 PolarHBondContact O-N 3.43Å; D138-Q140 PolarHBondContact O-N 2.86Å; D138-Q140 PolarHBondContact OD1-N 3.34Å; D138-Q140 VanDerWaalsContact OD1-N 3.12Å; D138-E141 HydrophobicContact CB-CB 4.37Å; D138-E141 HydrophobicContact CB-CG 4.21Å; D138-E141 PolarHBondContact O-N 3.03Å; D138-K142 PolarHBondContact O-N 2.69Å | ||
| 139 | T | 53.1 | Low | 73.8 | Confident | 109 Ų | 109 | 80 Ų | 80 | 67% | 0.669 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67 | -29.2 | -175 | -39.2 | 0 | 0 | 0 | 0 | 110.6 | N137 E141 K142 | N137-T139 PolarHBondContact O-N 3.37Å; T139-E141 PolarHBondContact O-N 3.21Å; T139-K142 PolarHBondContact O-N 3.43Å |
| 140 | Q | 56.4 | Low | 73.6 | Confident | 155 Ų | 155 | 77 Ų | 77 | 72% | 0.724 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -70 | -22.6 | 173.7 | -62.6 | -171 | 7 | 0 | 0 | 112.7 | D138 | D138-Q140 PolarHBondContact O-N 2.86Å; D138-Q140 PolarHBondContact OD1-N 3.34Å; D138-Q140 VanDerWaalsContact OD1-N 3.12Å |
| 141 | E | 57.2 | Low | 73.4 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 15% | 0.145 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -96 | -16.7 | 178.9 | -60.2 | -140 | 126 | 0 | 0 | 112.9 | Y134 S135 D138 T139 E143 K144 | Y134-E141 WeakPolarHBondContact CD2-OE2 3.48Å; Y134-E141 WeakPolarHBondContact CE2-OE2 3.5Å; S135-E141 PolarHBondContact N-OE2 3.32Å; D138-E141 HydrophobicContact CB-CB 4.37Å; D138-E141 HydrophobicContact CB-CG 4.21Å; D138-E141 PolarHBondContact O-N 3.03Å; T139-E141 PolarHBondContact O-N 3.21Å; E141-E143 PolarHBondContact O-N 3.27Å; E141-K144 HydrophobicContact CG-CD 4.43Å; E141-K144 WeakPolarHBondContact O-CA 3.48Å; E141-K144 VanDerWaalsContact O-CB 3.24Å; E141-K144 WeakPolarHBondContact O-CB 3.45Å; E141-K144 PolarHBondContact O-N 3.41Å; E141-K144 IonicContact OE1-NZ 2.79Å; E141-K144 PolarHBondContact OE1-NZ 3.48Å |
| 142 | K | 50.9 | Low | 73.3 | Confident | 114 Ų | 114 | 75 Ų | 75 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -28.2 | 169 | -75.4 | -178.1 | 178.3 | 177.2 | 0 | 113.1 | D138 T139 K144 K145 | D138-K142 PolarHBondContact O-N 2.69Å; T139-K142 PolarHBondContact O-N 3.43Å; K142-K144 PolarHBondContact O-N 2.96Å; K142-K145 WeakPolarHBondContact O-CG 3.13Å |
| 143 | E | 48.6 | Very low | 73.3 | Confident | 181 Ų | 181 | 73.2 Ų | 73.2 | 85% | 0.846 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.5 | 170.6 | -66.8 | -169.6 | 164.6 | 0 | 0 | 112.6 | E141 K145 | E141-E143 PolarHBondContact O-N 3.27Å; E143-K145 VanDerWaalsContact C-N 3.32Å; E143-K145 PolarHBondContact O-N 3.45Å |
| 144 | K | 57.1 | Low | 73.4 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 18.9 | 177 | -66.8 | -174.3 | -165.5 | 167.1 | 0 | 113.9 | E141 K142 N146 T147 | E141-K144 HydrophobicContact CG-CD 4.43Å; E141-K144 WeakPolarHBondContact O-CA 3.48Å; E141-K144 VanDerWaalsContact O-CB 3.24Å; E141-K144 WeakPolarHBondContact O-CB 3.45Å; E141-K144 PolarHBondContact O-N 3.41Å; E141-K144 IonicContact OE1-NZ 2.79Å; E141-K144 PolarHBondContact OE1-NZ 3.48Å; K142-K144 PolarHBondContact O-N 2.96Å; K144-N146 PolarHBondContact O-N 2.98Å; K144-T147 VanDerWaalsContact CB-OG1 3.29Å; K144-T147 WeakPolarHBondContact CB-OG1 3.49Å; K144-T147 WeakPolarHBondContact O-CB 3.5Å; K144-T147 PolarHBondContact O-N 3.17Å; K144-T147 PolarHBondContact O-OG1 3.47Å |
| 145 | K | 59 | Low | 73.1 | Confident | 141 Ų | 141 | 67 Ų | 67 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -7.5 | 174.4 | -89.9 | -170.9 | 176.3 | -159.8 | 0 | 115.4 | K142 E143 | K142-K145 WeakPolarHBondContact O-CG 3.13Å; E143-K145 VanDerWaalsContact C-N 3.32Å; E143-K145 PolarHBondContact O-N 3.45Å |
| 146 | N | 66.8 | Low | 73.1 | Confident | 123 Ų | 123 | 67.2 Ų | 67.2 | 66% | 0.658 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 10.3 | 178 | -152.7 | 30.8 | 0 | 0 | 0 | 114.6 | K144 K173 | K144-N146 PolarHBondContact O-N 2.98Å; N146-K173 PolarHBondContact O-NZ 3.25Å; N146-K173 PolarHBondContact OD1-NZ 3.06Å |
| 147 | T | 82.9 | Confident | 73.1 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | trans | -80.2 | 135.3 | 179.4 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | K144 F149 I212 | K144-T147 VanDerWaalsContact CB-OG1 3.29Å; K144-T147 WeakPolarHBondContact CB-OG1 3.49Å; K144-T147 WeakPolarHBondContact O-CB 3.5Å; K144-T147 PolarHBondContact O-N 3.17Å; K144-T147 PolarHBondContact O-OG1 3.47Å; T147-F149 HydrophobicContact CG2-CE2 4.39Å; T147-I212 HydrophobicContact CG2-CG2 3.85Å | ||
| 148 | D | 88.4 | Confident | 73.1 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 34% | 0.342 | 30% | 0.303 | S | S | . | . | trans | -77.5 | 136.8 | 176.4 | -64.5 | -24 | 0 | 0 | 0 | 110.6 | I171 K173 I212 | D148-I171 HydrophobicContact CB-CG2 3.82Å; D148-K173 WeakPolarHBondContact OD1-CE 3.47Å; D148-K173 IonicContact OD1-NZ 3.28Å; D148-I212 WeakPolarHBondContact O-CG2 3.44Å | ||
| 149 | F | 91.6 | Very high | 73.1 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 155.1 | 167.5 | -72.3 | -97.1 | 0 | 0 | 0 | 108.6 | Y134 T147 I171 I172 L174 F210 D211 V217 | Y134-F149 HydrophobicContact CD2-CE1 4.25Å; Y134-F149 HydrophobicContact CD2-CZ 4.21Å; Y134-F149 HydrophobicContact CE1-CE1 4.26Å; Y134-F149 HydrophobicContact CE1-CZ 4.23Å; Y134-F149 AromaticContact CE2-CE1 3.7Å; Y134-F149 HydrophobicContact CE2-CE1 3.7Å; Y134-F149 HydrophobicContact CE2-CE2 4.37Å; Y134-F149 AromaticContact CE2-CZ 3.28Å; Y134-F149 HydrophobicContact CE2-CZ 3.28Å; Y134-F149 AromaticContact CZ-CE1 3.71Å; Y134-F149 AromaticContact CZ-CZ 3.28Å; Y134-F149 WeakPolarHBondContact OH-CE2 3.46Å; Y134-F149 WeakPolarHBondContact OH-CZ 3.22Å; T147-F149 HydrophobicContact CG2-CE2 4.39Å; F149-I171 WeakPolarHBondContact O-CA 3.43Å; F149-I172 HydrophobicContact CB-CG1 3.9Å; F149-I172 PolarHBondContact N-O 2.82Å; F149-I172 PolarHBondContact O-N 3.4Å; F149-L174 HydrophobicContact CD1-CD1 3.85Å; F149-L174 HydrophobicContact CD1-CG 4.45Å; F149-L174 HydrophobicContact CD2-CB 4.4Å; F149-L174 HydrophobicContact CD2-CD1 3.92Å; F149-L174 HydrophobicContact CD2-CG 3.82Å; F149-L174 HydrophobicContact CE1-CD1 3.9Å; F149-L174 HydrophobicContact CE2-CB 4.48Å; F149-L174 HydrophobicContact CE2-CD1 3.96Å; F149-L174 HydrophobicContact CE2-CG 4.19Å; F149-L174 HydrophobicContact CG-CD1 3.89Å; F149-L174 HydrophobicContact CG-CG 3.99Å; F149-L174 HydrophobicContact CZ-CD1 3.98Å; F149-F210 WeakPolarHBondContact CA-O 3.1Å; F149-F210 VanDerWaalsContact CD1-O 3.24Å; F149-F210 WeakPolarHBondContact CD1-O 3.2Å; F149-D211 HydrophobicContact CE1-CB 4.04Å; F149-V217 HydrophobicContact CD1-CG2 3.91Å; F149-V217 HydrophobicContact CE1-CG1 4.48Å; F149-V217 HydrophobicContact CE1-CG2 3.99Å |
| 150 | F | 91.5 | Very high | 73.8 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 24% | 0.237 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.8 | -176.4 | -56.2 | -86.1 | 0 | 0 | 0 | 110.4 | L169 G170 I171 I209 F210 I212 | F150-L169 HydrophobicContact CB-CD1 3.75Å; F150-L169 HydrophobicContact CD1-CD1 4.08Å; F150-L169 HydrophobicContact CD1-CD2 4.13Å; F150-L169 HydrophobicContact CD1-CG 4.27Å; F150-L169 HydrophobicContact CG-CD1 4.29Å; F150-G170 CarbonylContact C-O 3.49Å; F150-G170 VanDerWaalsContact CA-O 3.31Å; F150-G170 WeakPolarHBondContact CA-O 3.4Å; F150-I171 HydrophobicContact CD1-CG1 4.05Å; F150-I171 HydrophobicContact CE1-CD1 4.33Å; F150-I171 HydrophobicContact CE1-CG1 4.06Å; F150-I209 CarbonylContact O-C 3.6Å; F150-I209 WeakPolarHBondContact O-CA 3Å; F150-F210 HydrophobicContact CB-CB 4.28Å; F150-F210 HydrophobicContact CB-CD2 4.32Å; F150-F210 PolarHBondContact N-O 2.97Å; F150-F210 PolarHBondContact O-N 3.32Å; F150-I212 HydrophobicContact CE2-CG2 4.34Å |
| 151 | V | 93.8 | Very high | 74.5 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.9 | 172.1 | -71.2 | 0 | 0 | 0 | 0 | 109.6 | I7 L169 G170 I172 P200 I209 F230 | I7-V151 HydrophobicContact CD1-CG2 4Å; I7-V151 HydrophobicContact CG1-CG2 4.33Å; V151-L169 CarbonylContact O-C 3.6Å; V151-L169 WeakPolarHBondContact O-CA 3.36Å; V151-G170 WeakPolarHBondContact CG2-O 3.41Å; V151-G170 PolarHBondContact N-O 3Å; V151-G170 PolarHBondContact O-N 3.33Å; V151-I172 HydrophobicContact CG1-CD1 3.72Å; V151-I172 HydrophobicContact CG1-CG1 4.23Å; V151-I172 HydrophobicContact CG1-CG2 4.4Å; V151-I172 HydrophobicContact CG2-CG2 4.24Å; V151-P200 HydrophobicContact CB-CG 4.19Å; V151-P200 HydrophobicContact CG1-CG 3.79Å; V151-P200 HydrophobicContact CG2-CG 4.39Å; V151-I209 HydrophobicContact CG1-CG2 3.31Å; V151-F230 HydrophobicContact CG1-CE1 3.87Å; V151-F230 HydrophobicContact CG1-CZ 4.14Å |
| 152 | L | 93 | Very high | 74.9 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138 | 175 | -77 | 175.4 | 0 | 0 | 0 | 111.2 | V13 F18 M20 I21 L167 R168 L169 G207 P208 F210 | V13-L152 HydrophobicContact CG2-CD2 3.63Å; F18-L152 HydrophobicContact CB-CD1 3.58Å; F18-L152 HydrophobicContact CD1-CD1 3.57Å; F18-L152 HydrophobicContact CD2-CD1 3.46Å; F18-L152 VanDerWaalsContact CD2-CD1 3.46Å; F18-L152 HydrophobicContact CD2-CD2 3.74Å; F18-L152 HydrophobicContact CD2-CG 4.26Å; F18-L152 HydrophobicContact CE1-CD1 4.02Å; F18-L152 HydrophobicContact CE2-CD1 3.97Å; F18-L152 HydrophobicContact CE2-CD2 3.86Å; F18-L152 HydrophobicContact CE2-CG 4.47Å; F18-L152 HydrophobicContact CG-CD1 3.23Å; F18-L152 HydrophobicContact CG-CD2 4.38Å; F18-L152 HydrophobicContact CG-CG 4.45Å; F18-L152 HydrophobicContact CZ-CD1 4.21Å; M20-L152 HydrophobicContact CE-CD1 4.29Å; I21-L152 HydrophobicContact CD1-CB 4.24Å; I21-L152 HydrophobicContact CD1-CD1 3.94Å; I21-L152 HydrophobicContact CG1-CD1 3.78Å; L152-L167 HydrophobicContact CB-CD1 4.42Å; L152-L167 HydrophobicContact CD2-CD1 4.35Å; L152-R168 WeakPolarHBondContact CA-O 3.43Å; L152-R168 WeakPolarHBondContact CD2-O 3.23Å; L152-L169 HydrophobicContact CD2-CB 3.91Å; L152-L169 HydrophobicContact CD2-CD1 3.56Å; L152-L169 HydrophobicContact CD2-CG 4.38Å; L152-L169 HydrophobicContact CG-CD1 3.9Å; L152-G207 WeakPolarHBondContact O-CA 3.47Å; L152-P208 HydrophobicContact CB-CG 4.4Å; L152-P208 PolarHBondContact N-O 2.71Å; L152-F210 HydrophobicContact CB-CE2 4.06Å; L152-F210 HydrophobicContact CD1-CD2 4.22Å; L152-F210 HydrophobicContact CD1-CE2 3.35Å; L152-F210 HydrophobicContact CD1-CZ 3.89Å; L152-F210 HydrophobicContact CG-CD2 4.44Å; L152-F210 HydrophobicContact CG-CE2 3.77Å |
| 153 | G | 94 | Very high | 76 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.2 | 173.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T32 G155 L167 R168 D204 | T32-G153 VanDerWaalsContact OG1-CA 3.23Å; T32-G153 WeakPolarHBondContact OG1-CA 3.34Å; G153-G155 VanDerWaalsContact C-N 3.27Å; G153-L167 WeakPolarHBondContact O-CA 3.28Å; G153-L167 WeakPolarHBondContact O-CD1 3.48Å; G153-R168 PolarHBondContact N-O 3.14Å; G153-R168 PolarHBondContact O-N 2.84Å; G153-D204 WeakPolarHBondContact CA-OD1 3.2Å |
| 154 | F | 92.6 | Very high | 77.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -91.8 | 16.7 | -178.4 | -70.7 | -83.8 | 0 | 0 | 0 | 113 | I21 L23 L30 T32 L60 G165 L167 D204 | I21-F154 HydrophobicContact CG2-CD2 4.49Å; I21-F154 HydrophobicContact CG2-CE2 3.74Å; I21-F154 HydrophobicContact CG2-CZ 4.44Å; L23-F154 HydrophobicContact CB-CD2 3.88Å; L23-F154 HydrophobicContact CB-CE1 4.4Å; L23-F154 HydrophobicContact CB-CE2 3.72Å; L23-F154 HydrophobicContact CB-CG 4.3Å; L23-F154 HydrophobicContact CB-CZ 4.01Å; L23-F154 HydrophobicContact CD1-CB 3.82Å; L23-F154 HydrophobicContact CD1-CD1 4.39Å; L23-F154 HydrophobicContact CD1-CD2 3.98Å; L23-F154 HydrophobicContact CD1-CG 3.83Å; L30-F154 HydrophobicContact CD1-CB 3.93Å; T32-F154 HydrophobicContact CG2-CD2 4.21Å; T32-F154 PolarHBondContact OG1-N 2.83Å; L60-F154 HydrophobicContact CD2-CZ 4.4Å; L60-F154 HydrophobicContact CG-CE1 4.18Å; L60-F154 HydrophobicContact CG-CZ 4.12Å; L60-F154 WeakPolarHBondContact O-CZ 3.44Å; F154-G165 WeakPolarHBondContact CD1-O 3.15Å; F154-G165 VanDerWaalsContact O-CA 3.24Å; F154-G165 WeakPolarHBondContact O-CA 3.3Å; F154-G165 PolarHBondContact O-N 2.82Å; F154-L167 HydrophobicContact CD1-CB 3.86Å; F154-L167 HydrophobicContact CD2-CD1 4.24Å; F154-L167 HydrophobicContact CE1-CB 3.6Å; F154-L167 HydrophobicContact CE1-CG 4.42Å; F154-L167 HydrophobicContact CE2-CD1 4.12Å; F154-L167 HydrophobicContact CG-CD1 4.48Å; F154-L167 HydrophobicContact CZ-CB 4.02Å; F154-L167 HydrophobicContact CZ-CD1 4.26Å; F154-L167 HydrophobicContact CZ-CD2 4.18Å; F154-L167 HydrophobicContact CZ-CG 4.38Å; F154-D204 PolarHBondContact N-OD1 3.08Å | ||
| 155 | G | 82.7 | Confident | 78.9 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -63.1 | 169.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | G153 R168 V202 D204 | G153-G155 VanDerWaalsContact C-N 3.27Å; G155-R168 PolarHBondContact O-NH1 3.06Å; G155-V202 CarbonylContact C-O 3.52Å; G155-V202 WeakPolarHBondContact CA-O 3.41Å; G155-D204 WeakPolarHBondContact CA-OD1 3.44Å; G155-D204 PolarHBondContact N-OD1 2.91Å | ||
| 156 | E | 73.8 | Confident | 80.4 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | trans | -67.9 | 133.3 | 172.5 | -164.2 | 179.2 | 172.5 | 0 | 0 | 109.4 | K2 K158 M164 D201 V202 | K2-E156 IonicContact NZ-OE2 3.01Å; K2-E156 PolarHBondContact NZ-OE2 2.84Å; E156-K158 HydrophobicContact CG-CG 4.11Å; E156-M164 HydrophobicContact CB-CB 4.38Å; E156-M164 HydrophobicContact CB-CE 3.96Å; E156-M164 HydrophobicContact CG-CB 4.38Å; E156-M164 HydrophobicContact CG-CE 4.21Å; E156-D201 WeakPolarHBondContact O-CB 3.43Å; E156-V202 PolarHBondContact N-O 2.85Å | ||
| 157 | D | 70 | Confident | 81.6 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -104.6 | 107 | 163.4 | -178.3 | -17.2 | 0 | 0 | 0 | 108.1 | N9 S159 I160 S163 R168 | N9-D157 PolarHBondContact N-OD2 2.98Å; D157-S159 VanDerWaalsContact CG-OG 3.25Å; D157-S159 PolarHBondContact O-N 2.92Å; D157-S159 VanDerWaalsContact O-N 3.13Å; D157-S159 VanDerWaalsContact OD1-CB 3.32Å; D157-S159 WeakPolarHBondContact OD1-CB 3.41Å; D157-S159 PolarHBondContact OD1-N 2.81Å; D157-S159 PolarHBondContact OD1-OG 2.84Å; D157-S159 PolarHBondContact OD2-OG 2.92Å; D157-I160 HydrophobicContact CB-CD1 4.48Å; D157-I160 CarbonylContact O-C 3.59Å; D157-I160 PolarHBondContact O-N 2.84Å; D157-S163 VanDerWaalsContact C-OG 3.25Å; D157-S163 WeakPolarHBondContact CA-OG 3.45Å; D157-S163 PolarHBondContact N-OG 2.83Å; D157-S163 VanDerWaalsContact O-CB 3.28Å; D157-S163 WeakPolarHBondContact O-CB 3.47Å; D157-S163 PolarHBondContact O-OG 3.21Å; D157-R168 IonicContact OD2-NE 3.6Å | ||
| 158 | K | 66.6 | Low | 82 | Confident | 70 Ų | 70 | 43 Ų | 43 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -5.2 | -172.9 | -51.1 | -160.3 | -153 | 162.9 | 0 | 114 | R6 E156 I160 D201 | R6-K158 VanDerWaalsContact CD-CE 3.42Å; R6-K158 HydrophobicContact CG-CD 4.46Å; R6-K158 VanDerWaalsContact NE-CE 3.33Å; E156-K158 HydrophobicContact CG-CG 4.11Å; K158-I160 VanDerWaalsContact C-N 3.29Å; K158-D201 VanDerWaalsContact CE-OD2 3.31Å; K158-D201 WeakPolarHBondContact CE-OD2 3.43Å; K158-D201 IonicContact NZ-OD1 3.74Å |
| 159 | S | 66.1 | Low | 82.1 | Confident | 72 Ų | 72 | 41 Ų | 41 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -15.6 | 168.5 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | D157 | D157-S159 VanDerWaalsContact CG-OG 3.25Å; D157-S159 PolarHBondContact O-N 2.92Å; D157-S159 VanDerWaalsContact O-N 3.13Å; D157-S159 VanDerWaalsContact OD1-CB 3.32Å; D157-S159 WeakPolarHBondContact OD1-CB 3.41Å; D157-S159 PolarHBondContact OD1-N 2.81Å; D157-S159 PolarHBondContact OD1-OG 2.84Å; D157-S159 PolarHBondContact OD2-OG 2.92Å |
| 160 | I | 67.4 | Low | 81.9 | Confident | 72 Ų | 72 | 40.6 Ų | 40.6 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -122.2 | 121.1 | -176.7 | -60.3 | 168.8 | 0 | 0 | 0 | 108.5 | D157 K158 S163 | D157-I160 HydrophobicContact CB-CD1 4.48Å; D157-I160 CarbonylContact O-C 3.59Å; D157-I160 PolarHBondContact O-N 2.84Å; K158-I160 VanDerWaalsContact C-N 3.29Å; I160-S163 WeakPolarHBondContact O-CB 3.27Å; I160-S163 PolarHBondContact O-N 2.74Å; I160-S163 PolarHBondContact O-OG 3.21Å |
| 161 | E | 69.7 | Low | 81.8 | Confident | 186 Ų | 186 | 40.3 Ų | 40.3 | 87% | 0.869 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 140.5 | 173.1 | -70.7 | -169.4 | 164.5 | 0 | 0 | 111 | S163 | E161-S163 PolarHBondContact O-N 2.67Š|
| 162 | M | 66.3 | Low | 81.6 | Confident | 182 Ų | 182 | 40.3 Ų | 40.3 | 90% | 0.897 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 29.6 | 177.8 | -56.1 | 178.3 | 59.8 | 0 | 0 | 114.6 | M164 | M162-M164 VanDerWaalsContact C-N 3.33Å; M162-M164 PolarHBondContact O-N 2.8Å |
| 163 | S | 73.5 | Confident | 81.4 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | trans | -75.6 | -15.6 | -178.6 | 54.1 | 0 | 0 | 0 | 0 | 115.5 | D157 I160 E161 G165 Q166 R168 | D157-S163 VanDerWaalsContact C-OG 3.25Å; D157-S163 WeakPolarHBondContact CA-OG 3.45Å; D157-S163 PolarHBondContact N-OG 2.83Å; D157-S163 VanDerWaalsContact O-CB 3.28Å; D157-S163 WeakPolarHBondContact O-CB 3.47Å; D157-S163 PolarHBondContact O-OG 3.21Å; I160-S163 WeakPolarHBondContact O-CB 3.27Å; I160-S163 PolarHBondContact O-N 2.74Å; I160-S163 PolarHBondContact O-OG 3.21Å; E161-S163 PolarHBondContact O-N 2.67Å; S163-G165 PolarHBondContact O-N 3.25Å; S163-Q166 WeakPolarHBondContact O-CB 3.29Å; S163-Q166 PolarHBondContact O-N 2.78Å; S163-R168 PolarHBondContact O-NH1 3.44Å; S163-R168 PolarHBondContact O-NH2 3.28Å | ||
| 164 | M | 79.9 | Confident | 81.2 | Confident | 80 Ų | 80 | 43.8 Ų | 43.8 | 39% | 0.394 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 132.2 | -176.7 | -177.4 | 174 | -73.7 | 0 | 0 | 111 | L30 E156 M162 Q166 | L30-M164 HydrophobicContact CD2-CG 3.87Å; L30-M164 HydrophobicContact CD2-SD 4.42Å; E156-M164 HydrophobicContact CB-CB 4.38Å; E156-M164 HydrophobicContact CB-CE 3.96Å; E156-M164 HydrophobicContact CG-CB 4.38Å; E156-M164 HydrophobicContact CG-CE 4.21Å; M162-M164 VanDerWaalsContact C-N 3.33Å; M162-M164 PolarHBondContact O-N 2.8Å; M164-Q166 VanDerWaalsContact C-N 3.34Å |
| 165 | G | 86.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 7.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H62 I63 F154 S163 | H62-G165 CarbonylContact C-O 3.43Å; H62-G165 VanDerWaalsContact CA-O 3.24Å; H62-G165 WeakPolarHBondContact CA-O 3.28Å; I63-G165 PolarHBondContact N-O 3.27Å; F154-G165 WeakPolarHBondContact CD1-O 3.15Å; F154-G165 VanDerWaalsContact O-CA 3.24Å; F154-G165 WeakPolarHBondContact O-CA 3.3Å; F154-G165 PolarHBondContact O-N 2.82Å; S163-G165 PolarHBondContact O-N 3.25Å |
| 166 | Q | 91.1 | Very high | 81.3 | Confident | 53 Ų | 53 | 52 Ų | 52 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 126.9 | 167.7 | -175.1 | 172.3 | 14.3 | 0 | 0 | 110 | T61 S163 M164 R168 | T61-Q166 CarbonylContact O-C 2.99Å; T61-Q166 WeakPolarHBondContact O-CA 3.29Å; S163-Q166 WeakPolarHBondContact O-CB 3.29Å; S163-Q166 PolarHBondContact O-N 2.78Å; M164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-R168 PolarHBondContact O-N 2.77Å; Q166-R168 PolarHBondContact O-NH1 2.84Å |
| 167 | L | 92.3 | Very high | 82.2 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | trans | -67.9 | 122.3 | 176.7 | -175.2 | 56.7 | 0 | 0 | 0 | 110.4 | V13 I21 T61 L152 G153 F154 | V13-L167 HydrophobicContact CB-CB 4.3Å; V13-L167 HydrophobicContact CB-CD2 3.99Å; V13-L167 HydrophobicContact CB-CG 3.85Å; V13-L167 HydrophobicContact CG1-CD2 3.75Å; V13-L167 HydrophobicContact CG1-CG 4.18Å; V13-L167 HydrophobicContact CG2-CD2 4.37Å; V13-L167 HydrophobicContact CG2-CG 3.93Å; V13-L167 PolarHBondContact N-O 2.99Å; V13-L167 VanDerWaalsContact N-O 3.11Å; I21-L167 HydrophobicContact CB-CD2 4.41Å; I21-L167 HydrophobicContact CG2-CD1 3.85Å; I21-L167 HydrophobicContact CG2-CD2 4.17Å; T61-L167 PolarHBondContact O-N 3.34Å; L152-L167 HydrophobicContact CB-CD1 4.42Å; L152-L167 HydrophobicContact CD2-CD1 4.35Å; G153-L167 WeakPolarHBondContact O-CA 3.28Å; G153-L167 WeakPolarHBondContact O-CD1 3.48Å; F154-L167 HydrophobicContact CD1-CB 3.86Å; F154-L167 HydrophobicContact CD2-CD1 4.24Å; F154-L167 HydrophobicContact CE1-CB 3.6Å; F154-L167 HydrophobicContact CE1-CG 4.42Å; F154-L167 HydrophobicContact CE2-CD1 4.12Å; F154-L167 HydrophobicContact CG-CD1 4.48Å; F154-L167 HydrophobicContact CZ-CB 4.02Å; F154-L167 HydrophobicContact CZ-CD1 4.26Å; F154-L167 HydrophobicContact CZ-CD2 4.18Å; F154-L167 HydrophobicContact CZ-CG 4.38Å | ||
| 168 | R | 91.2 | Very high | 83.2 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 150.3 | 178.4 | -66.7 | -174.8 | -175.9 | 80 | 11.6 | 112.2 | Y11 L152 G153 G155 D157 S163 Q166 | Y11-R168 CarbonylContact O-C 3.54Å; Y11-R168 VanDerWaalsContact O-CA 3.31Å; Y11-R168 WeakPolarHBondContact O-CA 3.42Å; L152-R168 WeakPolarHBondContact CA-O 3.43Å; L152-R168 WeakPolarHBondContact CD2-O 3.23Å; G153-R168 PolarHBondContact N-O 3.14Å; G153-R168 PolarHBondContact O-N 2.84Å; G155-R168 PolarHBondContact O-NH1 3.06Å; D157-R168 IonicContact OD2-NE 3.6Å; S163-R168 PolarHBondContact O-NH1 3.44Å; S163-R168 PolarHBondContact O-NH2 3.28Å; Q166-R168 PolarHBondContact O-N 2.77Å; Q166-R168 PolarHBondContact O-NH1 2.84Å |
| 169 | L | 89.7 | Confident | 84.3 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.1 | 172.5 | -175.8 | 77.8 | 0 | 0 | 0 | 109.9 | G10 Y11 V13 F18 F150 V151 L152 | G10-L169 CarbonylContact C-O 3.58Å; G10-L169 WeakPolarHBondContact CA-O 3.43Å; Y11-L169 PolarHBondContact N-O 2.9Å; Y11-L169 PolarHBondContact O-N 3.13Å; V13-L169 HydrophobicContact CG2-CB 4.07Å; F18-L169 HydrophobicContact CE2-CD1 3.92Å; F18-L169 HydrophobicContact CZ-CD1 3.76Å; F18-L169 HydrophobicContact CZ-CD2 4.4Å; F150-L169 HydrophobicContact CB-CD1 3.75Å; F150-L169 HydrophobicContact CD1-CD1 4.08Å; F150-L169 HydrophobicContact CD1-CD2 4.13Å; F150-L169 HydrophobicContact CD1-CG 4.27Å; F150-L169 HydrophobicContact CG-CD1 4.29Å; V151-L169 CarbonylContact O-C 3.6Å; V151-L169 WeakPolarHBondContact O-CA 3.36Å; L152-L169 HydrophobicContact CD2-CB 3.91Å; L152-L169 HydrophobicContact CD2-CD1 3.56Å; L152-L169 HydrophobicContact CD2-CG 4.38Å; L152-L169 HydrophobicContact CG-CD1 3.9Å |
| 170 | G | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F150 V151 Q198 | F150-G170 CarbonylContact C-O 3.49Å; F150-G170 VanDerWaalsContact CA-O 3.31Å; F150-G170 WeakPolarHBondContact CA-O 3.4Å; V151-G170 WeakPolarHBondContact CG2-O 3.41Å; V151-G170 PolarHBondContact N-O 3Å; V151-G170 PolarHBondContact O-N 3.33Å; G170-Q198 VanDerWaalsContact CA-O 3.24Å; G170-Q198 WeakPolarHBondContact CA-O 3.14Å |
| 171 | I | 88.4 | Confident | 86.5 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.8 | 175 | -54.3 | 175.9 | 0 | 0 | 0 | 108.4 | Y11 D148 F149 F150 | Y11-I171 HydrophobicContact CE2-CD1 4.09Å; D148-I171 HydrophobicContact CB-CG2 3.82Å; F149-I171 WeakPolarHBondContact O-CA 3.43Å; F150-I171 HydrophobicContact CD1-CG1 4.05Å; F150-I171 HydrophobicContact CE1-CD1 4.33Å; F150-I171 HydrophobicContact CE1-CG1 4.06Å |
| 172 | I | 89.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 162.5 | 179.5 | 69.7 | 170.9 | 0 | 0 | 0 | 112 | F149 V151 L174 N196 G199 I209 F230 | F149-I172 HydrophobicContact CB-CG1 3.9Å; F149-I172 PolarHBondContact N-O 2.82Å; F149-I172 PolarHBondContact O-N 3.4Å; V151-I172 HydrophobicContact CG1-CD1 3.72Å; V151-I172 HydrophobicContact CG1-CG1 4.23Å; V151-I172 HydrophobicContact CG1-CG2 4.4Å; V151-I172 HydrophobicContact CG2-CG2 4.24Å; I172-L174 HydrophobicContact CD1-CD2 4Å; I172-N196 VanDerWaalsContact CA-OD1 3.29Å; I172-N196 WeakPolarHBondContact CA-OD1 3.5Å; I172-N196 HydrophobicContact CB-CB 4.42Å; I172-N196 HydrophobicContact CG2-CB 4.31Å; I172-G199 VanDerWaalsContact CG2-CA 3.45Å; I172-I209 HydrophobicContact CD1-CG2 3.75Å; I172-F230 HydrophobicContact CD1-CE1 4.29Å; I172-F230 HydrophobicContact CD1-CE2 3.82Å; I172-F230 HydrophobicContact CD1-CZ 3.45Å; I172-F230 VanDerWaalsContact CD1-CZ 3.45Å |
| 173 | K | 89 | Confident | 89 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 27% | 0.274 | 23% | 0.233 | S | C | . | . | trans | -115.6 | 128.9 | 167.3 | -59 | -168 | -179.9 | -156.9 | 0 | 109 | N146 D148 S191 N196 | N146-K173 PolarHBondContact O-NZ 3.25Å; N146-K173 PolarHBondContact OD1-NZ 3.06Å; D148-K173 WeakPolarHBondContact OD1-CE 3.47Å; D148-K173 IonicContact OD1-NZ 3.28Å; K173-S191 VanDerWaalsContact O-CB 3.27Å; K173-S191 WeakPolarHBondContact O-CB 3.43Å; K173-S191 PolarHBondContact O-OG 3.43Å; K173-N196 PolarHBondContact N-OD1 2.84Å; K173-N196 PolarHBondContact O-ND2 3.45Å | ||
| 174 | L | 89.7 | Confident | 90 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | trans | -78.1 | 145.7 | 173.6 | -62.4 | 179.1 | 0 | 0 | 0 | 109.3 | Y134 M136 F149 I172 L189 C190 F230 | Y134-L174 HydrophobicContact CE1-CD1 3.56Å; Y134-L174 WeakPolarHBondContact OH-CD1 3.4Å; M136-L174 HydrophobicContact CE-CB 3.44Å; M136-L174 VanDerWaalsContact CE-CB 3.44Å; M136-L174 WeakPolarHBondContact CE-O 3.31Å; M136-L174 HydrophobicContact SD-CB 3.9Å; F149-L174 HydrophobicContact CD1-CD1 3.85Å; F149-L174 HydrophobicContact CD1-CG 4.45Å; F149-L174 HydrophobicContact CD2-CB 4.4Å; F149-L174 HydrophobicContact CD2-CD1 3.92Å; F149-L174 HydrophobicContact CD2-CG 3.82Å; F149-L174 HydrophobicContact CE1-CD1 3.9Å; F149-L174 HydrophobicContact CE2-CB 4.48Å; F149-L174 HydrophobicContact CE2-CD1 3.96Å; F149-L174 HydrophobicContact CE2-CG 4.19Å; F149-L174 HydrophobicContact CG-CD1 3.89Å; F149-L174 HydrophobicContact CG-CG 3.99Å; F149-L174 HydrophobicContact CZ-CD1 3.98Å; I172-L174 HydrophobicContact CD1-CD2 4Å; L174-L189 HydrophobicContact CD1-CB 4.36Å; L174-L189 HydrophobicContact CD1-CD1 4.2Å; L174-L189 HydrophobicContact CD2-CB 4.24Å; L174-C190 CarbonylContact C-O 2.77Å; L174-C190 WeakPolarHBondContact CA-O 3.01Å; L174-C190 WeakPolarHBondContact CD2-O 3.16Å; L174-F230 HydrophobicContact CD2-CD2 4.41Å; L174-F230 HydrophobicContact CD2-CE2 4.28Å | ||
| 175 | D | 88.2 | Confident | 90.7 | Very high | 57 Ų | 57 | 47 Ų | 47 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -139 | 169.3 | 177.3 | -163.6 | 5.9 | 0 | 0 | 0 | 110.2 | M136 C177 C190 W227 | M136-D175 VanDerWaalsContact CE-C 3.44Å; M136-D175 VanDerWaalsContact CE-CA 3.48Å; M136-D175 WeakPolarHBondContact CE-O 3.27Å; D175-C177 PolarHBondContact O-N 3.1Å; D175-C190 PolarHBondContact N-O 2.84Å; D175-W227 HydrophobicContact CB-CH2 4.46Å; D175-W227 HydrophobicContact CB-CZ3 4.05Å |
| 176 | E | 89.5 | Confident | 91 | Very high | 117 Ų | 117 | 54.2 Ų | 54.2 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 126.9 | 176.8 | -173.6 | 176.4 | 172.7 | 0 | 0 | 109.8 | K179 W227 | E176-K179 IonicContact OE1-NZ 3.88Å; E176-W227 WeakPolarHBondContact O-CH2 3.02Å; E176-W227 VanDerWaalsContact O-CZ3 3.29Å; E176-W227 WeakPolarHBondContact O-CZ3 2.8Å |
| 177 | C | 92.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -60 | 141.1 | 179.5 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | D175 T185 C190 | D175-C177 PolarHBondContact O-N 3.1Å; C177-T185 HydrophobicContact CB-CG2 4.25Å; C177-C190 WeakPolarHBondContact CA-SG 3.47Å; C177-C190 HydrophobicContact CB-CB 3.84Å; C177-C190 WeakPolarHBondContact CB-SG 3.45Å; C177-C190 WeakPolarHBondContact SG-CB 2.89Å; C177-C190 CovalentContact SG-SG 2.03Å; C177-C190 PolarHBondContact SG-SG 2.93Å |
| 178 | P | 91.9 | Very high | 91.2 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 143.7 | 176.4 | 31.8 | -38.2 | 0 | 0 | 0 | 109.9 | I181 T185 W227 | P178-I181 HydrophobicContact CB-CD1 4.41Å; P178-I181 HydrophobicContact CB-CG2 4.19Å; P178-I181 HydrophobicContact CG-CD1 3.42Å; P178-I181 VanDerWaalsContact CG-CD1 3.42Å; P178-I181 HydrophobicContact CG-CG1 3.92Å; P178-I181 HydrophobicContact CG-CG2 4.3Å; P178-T185 HydrophobicContact CG-CG2 4.34Å; P178-T185 PolarHBondContact O-OG1 2.86Å; P178-W227 HydrophobicContact CB-CD2 4.35Å; P178-W227 HydrophobicContact CB-CG 4.49Å; P178-W227 HydrophobicContact CB-CZ2 4.11Å; P178-W227 HydrophobicContact CG-CB 4.43Å; P178-W227 HydrophobicContact CG-CD2 3.78Å; P178-W227 HydrophobicContact CG-CG 3.67Å; P178-W227 HydrophobicContact CG-CZ2 4.4Å |
| 179 | K | 90.8 | Very high | 91.3 | Very high | 155 Ų | 155 | 53.5 Ų | 53.5 | 67% | 0.674 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -93.4 | 155 | 168 | -61.9 | 177.2 | -174.8 | 168.3 | 0 | 108.6 | E176 I181 | E176-K179 IonicContact OE1-NZ 3.88Å; K179-I181 PolarHBondContact O-N 3.17Å |
| 180 | N | 87.4 | Confident | 91.5 | Very high | 172 Ų | 172 | 52.4 Ų | 52.4 | 92% | 0.92 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 64.8 | 31.4 | 174.6 | -47.4 | -38.6 | 0 | 0 | 0 | 115.4 | ||
| 181 | I | 92.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -104.3 | 159.1 | 163.3 | 65.5 | 165 | 0 | 0 | 0 | 109.5 | P178 K179 I183 T185 N225 | P178-I181 HydrophobicContact CB-CD1 4.41Å; P178-I181 HydrophobicContact CB-CG2 4.19Å; P178-I181 HydrophobicContact CG-CD1 3.42Å; P178-I181 VanDerWaalsContact CG-CD1 3.42Å; P178-I181 HydrophobicContact CG-CG1 3.92Å; P178-I181 HydrophobicContact CG-CG2 4.3Å; K179-I181 PolarHBondContact O-N 3.17Å; I181-I183 HydrophobicContact CD1-CB 3.74Å; I181-I183 HydrophobicContact CD1-CD1 4.13Å; I181-I183 HydrophobicContact CD1-CG1 4.14Å; I181-I183 HydrophobicContact CG1-CB 4.21Å; I181-I183 PolarHBondContact O-N 3.27Å; I181-T185 HydrophobicContact CD1-CG2 3.92Å; I181-T185 HydrophobicContact CG1-CG2 4.17Å; I181-N225 HydrophobicContact CB-CB 4.41Å; I181-N225 WeakPolarHBondContact CB-ND2 3.21Å; I181-N225 HydrophobicContact CG2-CB 3.94Å; I181-N225 WeakPolarHBondContact CG2-ND2 3.3Å |
| 182 | K | 93 | Very high | 91.7 | Very high | 130 Ų | 130 | 52.2 Ų | 52.2 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -66.6 | -27.1 | 179 | -70.4 | -174.1 | 177.9 | -175.1 | 0 | 113 | D101 P184 | D101-K182 HydrophobicContact CB-CB 3.56Å; D101-K182 HydrophobicContact CB-CD 4.46Å; K182-P184 WeakPolarHBondContact O-CD 3.29Å |
| 183 | I | 93.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -65.7 | 127.3 | 178.5 | -54 | 174.7 | 0 | 0 | 0 | 109.6 | D101 I181 T185 I222 V229 | D101-I183 HydrophobicContact CB-CG1 3.87Å; D101-I183 VanDerWaalsContact O-CA 3.3Å; D101-I183 WeakPolarHBondContact O-CA 3.16Å; I181-I183 HydrophobicContact CD1-CB 3.74Å; I181-I183 HydrophobicContact CD1-CD1 4.13Å; I181-I183 HydrophobicContact CD1-CG1 4.14Å; I181-I183 HydrophobicContact CG1-CB 4.21Å; I181-I183 PolarHBondContact O-N 3.27Å; I183-T185 PolarHBondContact O-N 3.2Å; I183-I222 HydrophobicContact CD1-CG2 4.24Å; I183-I222 HydrophobicContact CG2-CG2 3.59Å; I183-V229 HydrophobicContact CD1-CG2 4.35Å; I183-V229 HydrophobicContact CG2-CB 4.15Å; I183-V229 HydrophobicContact CG2-CG1 4.09Å; I183-V229 HydrophobicContact CG2-CG2 3.98Å |
| 184 | P | 94.7 | Very high | 91.3 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | trans | -64.1 | 103.4 | 174.9 | -21.1 | 32.8 | 0 | 0 | 0 | 110.9 | D101 G105 S106 P107 K182 | D101-P184 WeakPolarHBondContact O-CD 3.15Å; G105-P184 CarbonylContact C-O 3.53Å; G105-P184 WeakPolarHBondContact CA-O 3.25Å; S106-P184 PolarHBondContact N-O 3.02Å; P107-P184 HydrophobicContact CG-CB 4.47Å; K182-P184 WeakPolarHBondContact O-CD 3.29Å | ||
| 185 | T | 94.9 | Very high | 90.7 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 17% | 0.166 | 33% | 0.328 | C | S | . | . | trans | -103.1 | -4.9 | -177.8 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | C177 P178 I181 I183 G187 A188 V229 | C177-T185 HydrophobicContact CB-CG2 4.25Å; P178-T185 HydrophobicContact CG-CG2 4.34Å; P178-T185 PolarHBondContact O-OG1 2.86Å; I181-T185 HydrophobicContact CD1-CG2 3.92Å; I181-T185 HydrophobicContact CG1-CG2 4.17Å; I183-T185 PolarHBondContact O-N 3.2Å; T185-G187 PolarHBondContact O-N 2.69Å; T185-A188 WeakPolarHBondContact O-CB 3.03Å; T185-A188 PolarHBondContact O-N 3.23Å; T185-V229 HydrophobicContact CG2-CG1 4.25Å; T185-V229 HydrophobicContact CG2-CG2 4.29Å | ||
| 186 | D | 92.9 | Very high | 90 | Very high | 152 Ų | 152 | 57.7 Ų | 57.7 | 81% | 0.813 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 117.1 | 179.9 | -172 | 27.4 | 0 | 0 | 0 | 111.3 | S106 A188 | S106-D186 WeakPolarHBondContact CB-O 3.09Å; S106-D186 PolarHBondContact OG-O 2.85Å; D186-A188 PolarHBondContact O-N 3.47Å |
| 187 | G | 92.7 | Very high | 88.8 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 9.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T185 S232 T235 | T185-G187 PolarHBondContact O-N 2.69Å; G187-S232 WeakPolarHBondContact O-CB 3.46Å; G187-T235 WeakPolarHBondContact O-CB 2.88Å; G187-T235 PolarHBondContact O-OG1 3.19Å |
| 188 | A | 94.8 | Very high | 87.7 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | trans | -78.6 | 167.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T185 D186 V229 F230 | T185-A188 WeakPolarHBondContact O-CB 3.03Å; T185-A188 PolarHBondContact O-N 3.23Å; D186-A188 PolarHBondContact O-N 3.47Å; A188-V229 HydrophobicContact CB-CG1 3.68Å; A188-F230 WeakPolarHBondContact CA-O 3.31Å; A188-F230 WeakPolarHBondContact CB-O 3.18Å | ||
| 189 | L | 94.3 | Very high | 86.5 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 145.7 | 158.4 | -54.1 | 176.1 | 0 | 0 | 0 | 107.9 | Y134 M136 L174 I209 V217 F230 | Y134-L189 HydrophobicContact CD1-CD1 4.01Å; Y134-L189 HydrophobicContact CD1-CD2 3.94Å; Y134-L189 HydrophobicContact CE1-CD1 4.13Å; Y134-L189 HydrophobicContact CE1-CD2 3.78Å; M136-L189 HydrophobicContact CG-CD2 4.07Å; L174-L189 HydrophobicContact CD1-CB 4.36Å; L174-L189 HydrophobicContact CD1-CD1 4.2Å; L174-L189 HydrophobicContact CD2-CB 4.24Å; L189-I209 HydrophobicContact CB-CD1 4.26Å; L189-I209 HydrophobicContact CD1-CD1 3.67Å; L189-V217 HydrophobicContact CD1-CB 4.26Å; L189-V217 HydrophobicContact CD1-CG2 4.05Å; L189-V217 WeakPolarHBondContact CD1-O 3.5Å; L189-F230 HydrophobicContact CB-CB 4.19Å; L189-F230 HydrophobicContact CB-CD2 4.44Å; L189-F230 PolarHBondContact N-O 3.47Å; L189-F230 WeakPolarHBondContact O-CD2 3.39Å; L189-F230 PolarHBondContact O-N 2.97Å |
| 190 | C | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.4 | -178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | L174 D175 C177 W227 Y228 | L174-C190 CarbonylContact C-O 2.77Å; L174-C190 WeakPolarHBondContact CA-O 3.01Å; L174-C190 WeakPolarHBondContact CD2-O 3.16Å; D175-C190 PolarHBondContact N-O 2.84Å; C177-C190 WeakPolarHBondContact CA-SG 3.47Å; C177-C190 HydrophobicContact CB-CB 3.84Å; C177-C190 WeakPolarHBondContact CB-SG 3.45Å; C177-C190 WeakPolarHBondContact SG-CB 2.89Å; C177-C190 CovalentContact SG-SG 2.03Å; C177-C190 PolarHBondContact SG-SG 2.93Å; C190-W227 HydrophobicContact CB-CE3 3.87Å; C190-W227 HydrophobicContact CB-CZ3 4.22Å; C190-Y228 CarbonylContact C-O 3.56Å; C190-Y228 VanDerWaalsContact CA-O 3.26Å; C190-Y228 WeakPolarHBondContact CA-O 3.4Å |
| 191 | S | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 129.8 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | K173 I193 N196 W227 Y228 | K173-S191 VanDerWaalsContact O-CB 3.27Å; K173-S191 WeakPolarHBondContact O-CB 3.43Å; K173-S191 PolarHBondContact O-OG 3.43Å; S191-I193 PolarHBondContact O-N 3.21Å; S191-N196 PolarHBondContact OG-ND2 3.34Å; S191-W227 WeakPolarHBondContact O-CA 3.34Å; S191-Y228 PolarHBondContact N-O 3.28Å; S191-Y228 PolarHBondContact O-N 3.42Å |
| 192 | N | 89.5 | Confident | 82.8 | Confident | 44 Ų | 44 | 42 Ų | 42 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 125.5 | 178.3 | -170.4 | -42.1 | 0 | 0 | 0 | 109.7 | N194 G195 N196 W227 | N192-N194 VanDerWaalsContact C-N 3.27Å; N192-N194 PolarHBondContact O-N 3.32Å; N192-N194 WeakPolarHBondContact OD1-CB 3.22Å; N192-N194 PolarHBondContact OD1-N 3.12Å; N192-G195 PolarHBondContact O-N 3.25Å; N192-G195 VanDerWaalsContact O-N 3.13Å; N192-N196 PolarHBondContact O-N 2.65Å; N192-N196 PolarHBondContact O-ND2 2.99Å; N192-W227 HydrophobicContact CB-CE3 4.16Å; N192-W227 HydrophobicContact CB-CH2 4.19Å; N192-W227 HydrophobicContact CB-CZ3 3.94Å |
| 193 | I | 86.3 | Confident | 81.2 | Confident | 47 Ų | 47 | 36 Ų | 36 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -61.7 | -37 | -177.5 | -61.6 | 175.1 | 0 | 0 | 0 | 110.8 | S191 G195 N196 G226 Y228 | S191-I193 PolarHBondContact O-N 3.21Å; I193-G195 PolarHBondContact O-N 3Å; I193-N196 CarbonylContact O-C 3.32Å; I193-N196 PolarHBondContact O-N 3.38Å; I193-N196 VanDerWaalsContact O-N 3.14Å; I193-G226 VanDerWaalsContact CD1-C 3.49Å; I193-G226 WeakPolarHBondContact CG1-O 3.36Å; I193-G226 PolarHBondContact N-O 2.65Å; I193-Y228 HydrophobicContact CB-CD2 4.49Å; I193-Y228 HydrophobicContact CB-CE2 4.04Å; I193-Y228 HydrophobicContact CD1-CE1 4.49Å; I193-Y228 HydrophobicContact CG1-CD1 4.39Å; I193-Y228 HydrophobicContact CG1-CD2 3.68Å; I193-Y228 HydrophobicContact CG1-CE1 4.27Å; I193-Y228 HydrophobicContact CG1-CE2 3.53Å; I193-Y228 HydrophobicContact CG1-CG 4.12Å; I193-Y228 HydrophobicContact CG2-CE2 4.16Å |
| 194 | N | 83.1 | Confident | 80.9 | Confident | 136 Ų | 136 | 36 Ų | 36 | 73% | 0.727 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -70.9 | -20.3 | -178.8 | -61.6 | -37.9 | 0 | 0 | 0 | 112.9 | N192 | N192-N194 VanDerWaalsContact C-N 3.27Å; N192-N194 PolarHBondContact O-N 3.32Å; N192-N194 WeakPolarHBondContact OD1-CB 3.22Å; N192-N194 PolarHBondContact OD1-N 3.12Å |
| 195 | G | 78 | Confident | 80.8 | Confident | 50 Ų | 50 | 34.1 Ų | 34.1 | 52% | 0.515 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -86.4 | -12.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | N192 I193 | N192-G195 PolarHBondContact O-N 3.25Å; N192-G195 VanDerWaalsContact O-N 3.13Å; I193-G195 PolarHBondContact O-N 3Å |
| 196 | N | 74.5 | Confident | 80.8 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | trans | -138.5 | 107.7 | -165.6 | -64.2 | -70.3 | 0 | 0 | 0 | 110.9 | I172 K173 S191 N192 I193 Q198 | I172-N196 VanDerWaalsContact CA-OD1 3.29Å; I172-N196 WeakPolarHBondContact CA-OD1 3.5Å; I172-N196 HydrophobicContact CB-CB 4.42Å; I172-N196 HydrophobicContact CG2-CB 4.31Å; K173-N196 PolarHBondContact N-OD1 2.84Å; K173-N196 PolarHBondContact O-ND2 3.45Å; S191-N196 PolarHBondContact OG-ND2 3.34Å; N192-N196 PolarHBondContact O-N 2.65Å; N192-N196 PolarHBondContact O-ND2 2.99Å; I193-N196 CarbonylContact O-C 3.32Å; I193-N196 PolarHBondContact O-N 3.38Å; I193-N196 VanDerWaalsContact O-N 3.14Å; N196-Q198 PolarHBondContact O-N 2.89Å | ||
| 197 | H | 63.6 | Low | 81 | Confident | 146 Ų | 146 | 25.7 Ų | 25.7 | 68% | 0.676 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 2 | -178.5 | -60.4 | 91.1 | 0 | 0 | 0 | 113.5 | ||
| 198 | Q | 69.9 | Low | 81.2 | Confident | 31 Ų | 31 | 24.3 Ų | 24.3 | 15% | 0.145 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | 32.6 | -173.2 | -61.2 | 177.4 | -26.8 | 0 | 0 | 113.6 | Q8 N9 G170 N196 | Q8-Q198 VanDerWaalsContact O-CA 3.28Å; Q8-Q198 WeakPolarHBondContact O-CA 3.45Å; Q8-Q198 WeakPolarHBondContact O-CG 3.29Å; N9-Q198 HydrophobicContact CB-CG 4.31Å; N9-Q198 PolarHBondContact O-NE2 3.29Å; G170-Q198 VanDerWaalsContact CA-O 3.24Å; G170-Q198 WeakPolarHBondContact CA-O 3.14Å; N196-Q198 PolarHBondContact O-N 2.89Å |
| 199 | G | 66 | Low | 81.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -80.8 | 172.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | R6 I7 I172 | R6-G199 CarbonylContact C-O 3.5Å; R6-G199 CarbonylContact O-C 2.93Å; I7-G199 WeakPolarHBondContact CA-O 2.98Å; I7-G199 WeakPolarHBondContact CB-O 3.35Å; I7-G199 VanDerWaalsContact CG1-O 3.23Å; I7-G199 WeakPolarHBondContact CG1-O 3.32Å; I7-G199 PolarHBondContact N-O 3.03Å; I172-G199 VanDerWaalsContact CG2-CA 3.45Å | ||
| 200 | P | 64.9 | Low | 81.1 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | trans | -54.5 | 151.5 | -171.5 | -26.7 | 33.9 | 0 | 0 | 0 | 118.8 | Y5 R6 I7 V151 D204 T220 Y228 F230 | Y5-P200 CarbonylContact C-O 3.54Å; Y5-P200 CarbonylContact O-C 3.46Å; Y5-P200 VanDerWaalsContact O-C 3.32Å; R6-P200 CarbonylContact C-O 3.58Å; R6-P200 WeakPolarHBondContact CA-O 3.46Å; R6-P200 PolarHBondContact N-O 3.16Å; I7-P200 HydrophobicContact CG1-CB 4.48Å; I7-P200 PolarHBondContact N-O 3.11Å; V151-P200 HydrophobicContact CB-CG 4.19Å; V151-P200 HydrophobicContact CG1-CG 3.79Å; V151-P200 HydrophobicContact CG2-CG 4.39Å; P200-D204 HydrophobicContact CB-CB 4.2Å; P200-T220 HydrophobicContact CB-CG2 3.37Å; P200-T220 HydrophobicContact CG-CG2 3.81Å; P200-Y228 HydrophobicContact CG-CD1 4.49Å; P200-Y228 VanDerWaalsContact O-CE1 3.24Å; P200-Y228 WeakPolarHBondContact O-CE1 3.42Å; P200-F230 HydrophobicContact CG-CE1 3.43Å; P200-F230 VanDerWaalsContact CG-CE1 3.43Å; P200-F230 HydrophobicContact CG-CZ 3.64Å | ||
| 201 | D | 69.1 | Low | 81 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | trans | -111.3 | 170.5 | 169.5 | -138.1 | -26.2 | 0 | 0 | 0 | 116.1 | Y5 R6 I7 E156 K158 G203 D204 | Y5-D201 VanDerWaalsContact C-CA 3.46Å; Y5-D201 CarbonylContact O-C 3.46Å; Y5-D201 WeakPolarHBondContact O-CA 3.01Å; Y5-D201 PolarHBondContact O-N 2.03Å; R6-D201 VanDerWaalsContact CA-OD1 3.3Å; R6-D201 WeakPolarHBondContact CA-OD1 3.08Å; R6-D201 WeakPolarHBondContact CA-OD2 3.29Å; R6-D201 HydrophobicContact CB-CB 4.1Å; R6-D201 WeakPolarHBondContact CB-OD2 3.34Å; R6-D201 VanDerWaalsContact CG-CG 3.48Å; R6-D201 VanDerWaalsContact CG-OD1 3.25Å; R6-D201 WeakPolarHBondContact CG-OD1 3.32Å; R6-D201 WeakPolarHBondContact CG-OD2 3.41Å; I7-D201 VanDerWaalsContact N-CA 3.34Å; E156-D201 WeakPolarHBondContact O-CB 3.43Å; K158-D201 VanDerWaalsContact CE-OD2 3.31Å; K158-D201 WeakPolarHBondContact CE-OD2 3.43Å; K158-D201 IonicContact NZ-OD1 3.74Å; D201-G203 PolarHBondContact O-N 3.28Å; D201-D204 WeakPolarHBondContact CA-OD2 3.26Å; D201-D204 VanDerWaalsContact CB-OD2 3.29Å; D201-D204 WeakPolarHBondContact CB-OD2 3.4Å; D201-D204 PolarHBondContact N-OD2 2.76Å; D201-D204 WeakPolarHBondContact O-CA 3.25Å; D201-D204 VanDerWaalsContact O-CB 3.23Å; D201-D204 WeakPolarHBondContact O-CB 3.31Å; D201-D204 PolarHBondContact O-N 2.9Å | ||
| 202 | V | 58.6 | Low | 80.9 | Confident | 12 Ų | 12 | 29.4 Ų | 29.4 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -35.6 | 116.7 | 149.7 | -177.8 | 0 | 0 | 0 | 0 | 110 | E4 G155 E156 D204 | E4-V202 HydrophobicContact CB-CB 3.92Å; E4-V202 HydrophobicContact CB-CG1 4.36Å; E4-V202 HydrophobicContact CB-CG2 3.47Å; E4-V202 VanDerWaalsContact CB-CG2 3.47Å; E4-V202 WeakPolarHBondContact O-CG2 3.34Å; E4-V202 VanDerWaalsContact OE2-CA 3.3Å; E4-V202 WeakPolarHBondContact OE2-CA 3.3Å; E4-V202 WeakPolarHBondContact OE2-CG1 3.3Å; G155-V202 CarbonylContact C-O 3.52Å; G155-V202 WeakPolarHBondContact CA-O 3.41Å; E156-V202 PolarHBondContact N-O 2.85Å; V202-D204 VanDerWaalsContact C-N 3.33Å |
| 203 | G | 60.2 | Low | 80.9 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -13.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E4 L30 C31 T32 D201 | E4-G203 PolarHBondContact OE2-N 2.98Å; L30-G203 VanDerWaalsContact CD1-CA 3.45Å; L30-G203 WeakPolarHBondContact CD1-O 3.44Å; L30-G203 WeakPolarHBondContact O-CA 3.42Å; C31-G203 CarbonylContact C-O 3.45Å; T32-G203 PolarHBondContact N-O 2.69Å; T32-G203 PolarHBondContact OG1-O 3.16Å; D201-G203 PolarHBondContact O-N 3.28Å |
| 204 | D | 86 | Confident | 81.1 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.1 | 166.1 | -55.1 | -53.2 | 0 | 0 | 0 | 112 | I7 G153 F154 G155 P200 D201 V202 G206 G207 T220 | I7-D204 HydrophobicContact CD1-CB 4.08Å; I7-D204 VanDerWaalsContact CD1-OD2 3.25Å; I7-D204 WeakPolarHBondContact CD1-OD2 3.36Å; I7-D204 HydrophobicContact CG1-CB 4.46Å; I7-D204 WeakPolarHBondContact CG1-OD2 3.28Å; G153-D204 WeakPolarHBondContact CA-OD1 3.2Å; F154-D204 PolarHBondContact N-OD1 3.08Å; G155-D204 WeakPolarHBondContact CA-OD1 3.44Å; G155-D204 PolarHBondContact N-OD1 2.91Å; P200-D204 HydrophobicContact CB-CB 4.2Å; D201-D204 WeakPolarHBondContact CA-OD2 3.26Å; D201-D204 VanDerWaalsContact CB-OD2 3.29Å; D201-D204 WeakPolarHBondContact CB-OD2 3.4Å; D201-D204 PolarHBondContact N-OD2 2.76Å; D201-D204 WeakPolarHBondContact O-CA 3.25Å; D201-D204 VanDerWaalsContact O-CB 3.23Å; D201-D204 WeakPolarHBondContact O-CB 3.31Å; D201-D204 PolarHBondContact O-N 2.9Å; V202-D204 VanDerWaalsContact C-N 3.33Å; D204-G206 PolarHBondContact O-N 3.1Å; D204-G207 VanDerWaalsContact O-CA 3.27Å; D204-G207 WeakPolarHBondContact O-CA 3.08Å; D204-G207 PolarHBondContact O-N 2.79Å; D204-T220 HydrophobicContact CB-CG2 4.45Å; D204-T220 VanDerWaalsContact O-CB 3.28Å; D204-T220 WeakPolarHBondContact O-CB 3.43Å; D204-T220 WeakPolarHBondContact O-CG2 3.01Å |
| 205 | S | 92.2 | Very high | 81.7 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | 126.4 | 166.1 | -78 | 0 | 0 | 0 | 0 | 112.4 | C31 T32 H46 G207 | C31-S205 WeakPolarHBondContact CB-O 3.27Å; T32-S205 PolarHBondContact N-O 2.72Å; H46-S205 PolarHBondContact CE1-OG 2.89Å; H46-S205 WeakPolarHBondContact NE2-CB 3.48Å; H46-S205 PolarHBondContact NE2-OG 2.78Å; S205-G207 PolarHBondContact O-N 2.53Å |
| 206 | G | 96.2 | Very high | 82.7 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -8.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | T32 T43 A44 D204 T220 | T32-G206 CarbonylContact O-C 3.08Å; T32-G206 VanDerWaalsContact O-CA 3.28Å; T32-G206 WeakPolarHBondContact O-CA 3.2Å; T32-G206 VanDerWaalsContact O-O 3.11Å; T43-G206 VanDerWaalsContact OG1-CA 3.29Å; T43-G206 WeakPolarHBondContact OG1-CA 3.45Å; A44-G206 VanDerWaalsContact N-CA 3.27Å; D204-G206 PolarHBondContact O-N 3.1Å; G206-T220 PolarHBondContact N-O 3.32Å |
| 207 | G | 96.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 148.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L152 D204 S205 T220 | L152-G207 WeakPolarHBondContact O-CA 3.47Å; D204-G207 VanDerWaalsContact O-CA 3.27Å; D204-G207 WeakPolarHBondContact O-CA 3.08Å; D204-G207 PolarHBondContact O-N 2.79Å; S205-G207 PolarHBondContact O-N 2.53Å; G207-T220 WeakPolarHBondContact O-CB 3.29Å; G207-T220 PolarHBondContact O-N 2.8Å; G207-T220 PolarHBondContact O-OG1 3.44Å |
| 208 | P | 96.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 151.6 | -178.5 | 27.2 | -32.2 | 0 | 0 | 0 | 113.7 | I21 T34 L152 F210 V216 | I21-P208 HydrophobicContact CD1-CG 3.29Å; T34-P208 WeakPolarHBondContact OG1-CB 3.48Å; T34-P208 WeakPolarHBondContact OG1-CD 3.39Å; T34-P208 VanDerWaalsContact OG1-CG 3.26Å; T34-P208 WeakPolarHBondContact OG1-CG 3.41Å; L152-P208 HydrophobicContact CB-CG 4.4Å; L152-P208 PolarHBondContact N-O 2.71Å; P208-F210 HydrophobicContact CB-CE1 4.03Å; P208-F210 HydrophobicContact CB-CE2 3.72Å; P208-F210 HydrophobicContact CB-CZ 3.45Å; P208-F210 VanDerWaalsContact CB-CZ 3.45Å; P208-F210 HydrophobicContact CG-CE1 4.12Å; P208-F210 HydrophobicContact CG-CE2 3.38Å; P208-F210 HydrophobicContact CG-CZ 3.12Å; P208-V216 HydrophobicContact CB-CB 4.49Å; P208-V216 HydrophobicContact CB-CG1 3.79Å; P208-V216 HydrophobicContact CB-CG2 3.98Å |
| 209 | I | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.3 | 156.5 | 15.1 | 172.4 | 0 | 0 | 0 | 109.6 | F150 V151 I172 L189 V216 V217 G218 F230 | F150-I209 CarbonylContact O-C 3.6Å; F150-I209 WeakPolarHBondContact O-CA 3Å; V151-I209 HydrophobicContact CG1-CG2 3.31Å; I172-I209 HydrophobicContact CD1-CG2 3.75Å; L189-I209 HydrophobicContact CB-CD1 4.26Å; L189-I209 HydrophobicContact CD1-CD1 3.67Å; I209-V216 CarbonylContact O-C 3.58Å; I209-V216 WeakPolarHBondContact O-CA 3.21Å; I209-V217 HydrophobicContact CB-CG2 4.09Å; I209-V217 HydrophobicContact CD1-CG2 4.27Å; I209-V217 HydrophobicContact CG1-CG2 4.3Å; I209-V217 WeakPolarHBondContact O-CG2 3.15Å; I209-V217 PolarHBondContact O-N 2.87Å; I209-G218 VanDerWaalsContact CG1-CA 3.49Å; I209-G218 WeakPolarHBondContact CG1-O 3.37Å; I209-G218 PolarHBondContact N-O 3.49Å; I209-F230 HydrophobicContact CD1-CB 3.42Å; I209-F230 VanDerWaalsContact CD1-CB 3.42Å; I209-F230 HydrophobicContact CD1-CD1 3.45Å; I209-F230 VanDerWaalsContact CD1-CD1 3.45Å; I209-F230 HydrophobicContact CD1-CD2 3.96Å; I209-F230 HydrophobicContact CD1-CE1 4.17Å; I209-F230 HydrophobicContact CD1-CG 3.35Å; I209-F230 HydrophobicContact CG1-CB 4.32Å; I209-F230 HydrophobicContact CG1-CD1 3.73Å; I209-F230 HydrophobicContact CG1-CE1 4.3Å; I209-F230 HydrophobicContact CG1-CG 4.15Å; I209-F230 HydrophobicContact CG2-CD1 4.1Å; I209-F230 HydrophobicContact CG2-CE1 3.81Å; I209-F230 HydrophobicContact CG2-CZ 4.23Å |
| 210 | F | 91.6 | Very high | 88 | Confident | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.9 | 179.4 | -54.7 | -85.5 | 0 | 0 | 0 | 113.2 | M20 I21 F149 F150 L152 P208 R215 V216 | M20-F210 HydrophobicContact CE-CD1 4.41Å; M20-F210 HydrophobicContact CE-CE1 3.33Å; M20-F210 HydrophobicContact CE-CE2 4.13Å; M20-F210 HydrophobicContact CE-CZ 3.14Å; I21-F210 HydrophobicContact CD1-CZ 4.07Å; F149-F210 WeakPolarHBondContact CA-O 3.1Å; F149-F210 VanDerWaalsContact CD1-O 3.24Å; F149-F210 WeakPolarHBondContact CD1-O 3.2Å; F150-F210 HydrophobicContact CB-CB 4.28Å; F150-F210 HydrophobicContact CB-CD2 4.32Å; F150-F210 PolarHBondContact N-O 2.97Å; F150-F210 PolarHBondContact O-N 3.32Å; L152-F210 HydrophobicContact CB-CE2 4.06Å; L152-F210 HydrophobicContact CD1-CD2 4.22Å; L152-F210 HydrophobicContact CD1-CE2 3.35Å; L152-F210 HydrophobicContact CD1-CZ 3.89Å; L152-F210 HydrophobicContact CG-CD2 4.44Å; L152-F210 HydrophobicContact CG-CE2 3.77Å; P208-F210 HydrophobicContact CB-CE1 4.03Å; P208-F210 HydrophobicContact CB-CE2 3.72Å; P208-F210 HydrophobicContact CB-CZ 3.45Å; P208-F210 VanDerWaalsContact CB-CZ 3.45Å; P208-F210 HydrophobicContact CG-CE1 4.12Å; P208-F210 HydrophobicContact CG-CE2 3.38Å; P208-F210 HydrophobicContact CG-CZ 3.12Å; F210-R215 VanDerWaalsContact CA-O 3.3Å; F210-R215 WeakPolarHBondContact CA-O 3.24Å; F210-V216 HydrophobicContact CD1-CG2 3.95Å; F210-V216 HydrophobicContact CE1-CB 4.48Å; F210-V216 HydrophobicContact CE1-CG2 3.44Å; F210-V216 VanDerWaalsContact CE1-CG2 3.44Å; F210-V216 HydrophobicContact CZ-CG2 4.25Å |
| 211 | D | 91.6 | Very high | 89.5 | Confident | 9 Ų | 9 | 19 Ų | 19 | 5% | 0.048 | 11% | 0.106 | C | C | . | . | trans | -76.9 | 170.5 | 159.1 | 69.2 | 27.4 | 0 | 0 | 0 | 112 | N131 F149 N213 G214 R215 V217 | N131-D211 PolarHBondContact ND2-OD2 3.13Å; F149-D211 HydrophobicContact CE1-CB 4.04Å; D211-N213 PolarHBondContact O-N 2.95Å; D211-N213 WeakPolarHBondContact OD1-CA 3.45Å; D211-N213 WeakPolarHBondContact OD1-CB 3.46Å; D211-N213 PolarHBondContact OD1-N 3.31Å; D211-G214 PolarHBondContact O-N 3.46Å; D211-G214 PolarHBondContact OD1-N 2.7Å; D211-R215 PolarHBondContact N-O 3.25Å; D211-R215 PolarHBondContact OD1-N 3Å; D211-R215 VanDerWaalsContact OD1-N 3.08Å; D211-R215 IonicContact OD1-NE 3.54Å; D211-R215 IonicContact OD2-CZ 3.16Å; D211-R215 IonicContact OD2-NE 2.82Å; D211-R215 PolarHBondContact OD2-NE 2.91Å; D211-R215 IonicContact OD2-NH2 2.71Å; D211-R215 PolarHBondContact OD2-NH2 2.87Å; D211-V217 HydrophobicContact CB-CG1 4.1Å | ||
| 212 | I | 88.7 | Confident | 90.6 | Very high | 109 Ų | 109 | 19.6 Ų | 19.6 | 56% | 0.559 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13.4 | 178.3 | 61.1 | 169.3 | 0 | 0 | 0 | 114.9 | T147 D148 F150 | T147-I212 HydrophobicContact CG2-CG2 3.85Å; D148-I212 WeakPolarHBondContact O-CG2 3.44Å; F150-I212 HydrophobicContact CE2-CG2 4.34Å |
| 213 | N | 90 | Very high | 92 | Very high | 109 Ų | 109 | 19.3 Ų | 19.3 | 58% | 0.583 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 8.6 | 176.8 | -56 | -61.6 | 0 | 0 | 0 | 112.1 | D211 R215 | D211-N213 PolarHBondContact O-N 2.95Å; D211-N213 WeakPolarHBondContact OD1-CA 3.45Å; D211-N213 WeakPolarHBondContact OD1-CB 3.46Å; D211-N213 PolarHBondContact OD1-N 3.31Å; N213-R215 VanDerWaalsContact C-N 3.31Å; N213-R215 HydrophobicContact CB-CG 4.35Å; N213-R215 PolarHBondContact ND2-NH2 3.45Å; N213-R215 PolarHBondContact O-N 2.99Å |
| 214 | G | 91.7 | Very high | 93.3 | Very high | 42 Ų | 42 | 19.6 Ų | 19.6 | 43% | 0.433 | 11% | 0.111 | S | C | . | . | S | Bend | trans | 73.7 | 19.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D211 | D211-G214 PolarHBondContact O-N 3.46Å; D211-G214 PolarHBondContact OD1-N 2.7Å |
| 215 | R | 95.6 | Very high | 93.4 | Very high | 86 Ų | 86 | 24.2 Ų | 24.2 | 33% | 0.325 | 14% | 0.136 | S | C | . | . | trans | -97.8 | 135.5 | 178.2 | -52.1 | 173.5 | -62.3 | -177.5 | 0.7 | 110.5 | L129 N131 F210 D211 N213 V217 | L129-R215 HydrophobicContact CB-CG 4.32Å; L129-R215 CarbonylContact O-C 3.39Å; L129-R215 VanDerWaalsContact O-CA 3.28Å; L129-R215 WeakPolarHBondContact O-CA 3.37Å; N131-R215 HydrophobicContact CB-CB 3.75Å; N131-R215 PolarHBondContact ND2-NH2 3.08Å; N131-R215 VanDerWaalsContact ND2-NH2 3.11Å; F210-R215 VanDerWaalsContact CA-O 3.3Å; F210-R215 WeakPolarHBondContact CA-O 3.24Å; D211-R215 PolarHBondContact N-O 3.25Å; D211-R215 PolarHBondContact OD1-N 3Å; D211-R215 VanDerWaalsContact OD1-N 3.08Å; D211-R215 IonicContact OD1-NE 3.54Å; D211-R215 IonicContact OD2-CZ 3.16Å; D211-R215 IonicContact OD2-NE 2.82Å; D211-R215 PolarHBondContact OD2-NE 2.91Å; D211-R215 IonicContact OD2-NH2 2.71Å; D211-R215 PolarHBondContact OD2-NH2 2.87Å; N213-R215 VanDerWaalsContact C-N 3.31Å; N213-R215 HydrophobicContact CB-CG 4.35Å; N213-R215 PolarHBondContact ND2-NH2 3.45Å; N213-R215 PolarHBondContact O-N 2.99Å; R215-V217 PolarHBondContact O-N 2.85Å | ||
| 216 | V | 97.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 123.2 | 178.3 | -175 | 0 | 0 | 0 | 0 | 109.8 | T34 L129 L130 N131 P208 I209 F210 G218 V233 | T34-V216 HydrophobicContact CG2-CG2 4.13Å; L129-V216 PolarHBondContact O-N 3.39Å; L130-V216 HydrophobicContact CD2-CB 3.64Å; L130-V216 HydrophobicContact CD2-CG1 4.1Å; L130-V216 HydrophobicContact CD2-CG2 4.03Å; N131-V216 PolarHBondContact N-O 2.04Å; P208-V216 HydrophobicContact CB-CB 4.49Å; P208-V216 HydrophobicContact CB-CG1 3.79Å; P208-V216 HydrophobicContact CB-CG2 3.98Å; I209-V216 CarbonylContact O-C 3.58Å; I209-V216 WeakPolarHBondContact O-CA 3.21Å; F210-V216 HydrophobicContact CD1-CG2 3.95Å; F210-V216 HydrophobicContact CE1-CB 4.48Å; F210-V216 HydrophobicContact CE1-CG2 3.44Å; F210-V216 VanDerWaalsContact CE1-CG2 3.44Å; F210-V216 HydrophobicContact CZ-CG2 4.25Å; V216-G218 WeakPolarHBondContact CG1-O 3.06Å; V216-V233 HydrophobicContact CG1-CG2 4.02Å |
| 217 | V | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -17 | 177.4 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | N131 Y134 F149 L189 I209 D211 R215 V233 | N131-V217 HydrophobicContact CB-CG1 4Å; Y134-V217 HydrophobicContact CD1-CB 4Å; Y134-V217 HydrophobicContact CD1-CG1 4.23Å; Y134-V217 HydrophobicContact CD1-CG2 4.45Å; Y134-V217 HydrophobicContact CD2-CG1 4.23Å; Y134-V217 HydrophobicContact CG-CB 4.03Å; Y134-V217 HydrophobicContact CG-CG1 3.75Å; F149-V217 HydrophobicContact CD1-CG2 3.91Å; F149-V217 HydrophobicContact CE1-CG1 4.48Å; F149-V217 HydrophobicContact CE1-CG2 3.99Å; L189-V217 HydrophobicContact CD1-CB 4.26Å; L189-V217 HydrophobicContact CD1-CG2 4.05Å; L189-V217 WeakPolarHBondContact CD1-O 3.5Å; I209-V217 HydrophobicContact CB-CG2 4.09Å; I209-V217 HydrophobicContact CD1-CG2 4.27Å; I209-V217 HydrophobicContact CG1-CG2 4.3Å; I209-V217 WeakPolarHBondContact O-CG2 3.15Å; I209-V217 PolarHBondContact O-N 2.87Å; D211-V217 HydrophobicContact CB-CG1 4.1Å; R215-V217 PolarHBondContact O-N 2.85Å; V217-V233 WeakPolarHBondContact O-CB 3.24Å; V217-V233 PolarHBondContact O-N 2.78Å |
| 218 | G | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -174.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I209 V216 S231 | I209-G218 VanDerWaalsContact CG1-CA 3.49Å; I209-G218 WeakPolarHBondContact CG1-O 3.37Å; I209-G218 PolarHBondContact N-O 3.49Å; V216-G218 WeakPolarHBondContact CG1-O 3.06Å; G218-S231 CarbonylContact C-O 3.57Å; G218-S231 WeakPolarHBondContact CA-O 3.47Å |
| 219 | I | 97.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.5 | -172.9 | -55.7 | 88.6 | 0 | 0 | 0 | 108.5 | L42 A44 I109 S221 F230 S231 V233 | L42-I219 HydrophobicContact CD2-CD1 4.11Å; L42-I219 HydrophobicContact CD2-CG1 4.13Å; L42-I219 HydrophobicContact CG-CD1 4.42Å; L42-I219 HydrophobicContact CG-CG1 4.13Å; A44-I219 HydrophobicContact CB-CG2 4.3Å; I109-I219 HydrophobicContact CD1-CD1 3.48Å; I109-I219 VanDerWaalsContact CD1-CD1 3.48Å; I109-I219 HydrophobicContact CD1-CG1 4.42Å; I109-I219 HydrophobicContact CG1-CD1 3.88Å; I109-I219 HydrophobicContact CG1-CG1 4.33Å; I219-S221 PolarHBondContact O-N 3.01Å; I219-F230 CarbonylContact O-C 3.55Å; I219-F230 WeakPolarHBondContact O-CA 3.3Å; I219-F230 VanDerWaalsContact O-CB 3.29Å; I219-F230 WeakPolarHBondContact O-CB 3.34Å; I219-S231 PolarHBondContact N-O 3.21Å; I219-S231 PolarHBondContact O-N 3.5Å; I219-V233 HydrophobicContact CD1-CG2 4.05Å |
| 220 | T | 96.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 121.4 | 172.6 | -63.2 | 0 | 0 | 0 | 0 | 110 | P200 D204 G206 G207 | P200-T220 HydrophobicContact CB-CG2 3.37Å; P200-T220 HydrophobicContact CG-CG2 3.81Å; D204-T220 HydrophobicContact CB-CG2 4.45Å; D204-T220 VanDerWaalsContact O-CB 3.28Å; D204-T220 WeakPolarHBondContact O-CB 3.43Å; D204-T220 WeakPolarHBondContact O-CG2 3.01Å; G206-T220 PolarHBondContact N-O 3.32Å; G207-T220 WeakPolarHBondContact O-CB 3.29Å; G207-T220 PolarHBondContact O-N 2.8Å; G207-T220 PolarHBondContact O-OG1 3.44Å |
| 221 | S | 95.4 | Very high | 93 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 4% | 0.035 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -69.3 | -176.8 | 162.9 | 0 | 0 | 0 | 0 | 111.2 | H46 G104 G105 D108 I219 V229 | H46-S221 PolarHBondContact CE1-O 2.58Å; G104-S221 WeakPolarHBondContact CA-OG 3.31Å; G105-S221 PolarHBondContact N-OG 3.01Å; G105-S221 PolarHBondContact O-OG 2.97Å; D108-S221 VanDerWaalsContact CB-OG 3.27Å; D108-S221 WeakPolarHBondContact CB-OG 3.34Å; D108-S221 VanDerWaalsContact CG-OG 3.31Å; D108-S221 WeakPolarHBondContact OD2-CA 3.47Å; D108-S221 WeakPolarHBondContact OD2-CB 3.48Å; D108-S221 PolarHBondContact OD2-OG 2.89Å; I219-S221 PolarHBondContact O-N 3.01Å; S221-V229 WeakPolarHBondContact CB-O 3.39Å; S221-V229 PolarHBondContact N-O 2.81Å |
| 222 | I | 92.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 155.6 | -167.8 | -170.7 | 168.4 | 0 | 0 | 0 | 110.2 | H100 I183 V229 | H100-I222 WeakPolarHBondContact CE1-CD1 3.32Å; I183-I222 HydrophobicContact CD1-CG2 4.24Å; I183-I222 HydrophobicContact CG2-CG2 3.59Å; I222-V229 HydrophobicContact CG2-CB 3.91Å; I222-V229 PolarHBondContact N-O 3.13Å; I222-V229 VanDerWaalsContact N-O 3.1Å; I222-V229 PolarHBondContact O-N 2.99Å; I222-V229 VanDerWaalsContact O-O 3.12Å |
| 223 | A | 88.7 | Confident | 93.7 | Very high | 6 Ų | 6 | 22 Ų | 22 | 5% | 0.05 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y5 W227 Y228 | Y5-A223 HydrophobicContact CD2-CB 4.02Å; Y5-A223 WeakPolarHBondContact CD2-O 3.26Å; Y5-A223 HydrophobicContact CG-CB 4.39Å; A223-W227 CarbonylContact C-O 3.44Å; A223-W227 WeakPolarHBondContact CA-O 3.27Å; A223-Y228 HydrophobicContact CB-CD1 3.77Å; A223-Y228 HydrophobicContact CB-CE1 4.21Å |
| 224 | G | 87.3 | Confident | 94 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 9% | 0.093 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 159.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G226 W227 | G224-G226 PolarHBondContact O-N 3.19Å; G224-W227 PolarHBondContact N-O 3.08Å; G224-W227 PolarHBondContact O-N 2.92Å |
| 225 | N | 87.9 | Confident | 94.2 | Very high | 98 Ų | 98 | 20 Ų | 20 | 52% | 0.524 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 27.9 | 178.7 | -60 | 13.2 | 0 | 0 | 0 | 114.6 | I181 | I181-N225 HydrophobicContact CB-CB 4.41Å; I181-N225 WeakPolarHBondContact CB-ND2 3.21Å; I181-N225 HydrophobicContact CG2-CB 3.94Å; I181-N225 WeakPolarHBondContact CG2-ND2 3.3Å |
| 226 | G | 89.1 | Confident | 94.2 | Very high | 30 Ų | 30 | 16.5 Ų | 16.5 | 31% | 0.309 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 10.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I193 G224 | I193-G226 VanDerWaalsContact CD1-C 3.49Å; I193-G226 WeakPolarHBondContact CG1-O 3.36Å; I193-G226 PolarHBondContact N-O 2.65Å; G224-G226 PolarHBondContact O-N 3.19Å |
| 227 | W | 91.5 | Very high | 94.2 | Very high | 39 Ų | 39 | 21.5 Ų | 21.5 | 15% | 0.148 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 139.2 | -175.5 | -63.2 | 86.7 | 0 | 0 | 0 | 112.2 | D175 E176 P178 C190 S191 N192 A223 G224 V229 | D175-W227 HydrophobicContact CB-CH2 4.46Å; D175-W227 HydrophobicContact CB-CZ3 4.05Å; E176-W227 WeakPolarHBondContact O-CH2 3.02Å; E176-W227 VanDerWaalsContact O-CZ3 3.29Å; E176-W227 WeakPolarHBondContact O-CZ3 2.8Å; P178-W227 HydrophobicContact CB-CD2 4.35Å; P178-W227 HydrophobicContact CB-CG 4.49Å; P178-W227 HydrophobicContact CB-CZ2 4.11Å; P178-W227 HydrophobicContact CG-CB 4.43Å; P178-W227 HydrophobicContact CG-CD2 3.78Å; P178-W227 HydrophobicContact CG-CG 3.67Å; P178-W227 HydrophobicContact CG-CZ2 4.4Å; C190-W227 HydrophobicContact CB-CE3 3.87Å; C190-W227 HydrophobicContact CB-CZ3 4.22Å; S191-W227 WeakPolarHBondContact O-CA 3.34Å; N192-W227 HydrophobicContact CB-CE3 4.16Å; N192-W227 HydrophobicContact CB-CH2 4.19Å; N192-W227 HydrophobicContact CB-CZ3 3.94Å; A223-W227 CarbonylContact C-O 3.44Å; A223-W227 WeakPolarHBondContact CA-O 3.27Å; G224-W227 PolarHBondContact N-O 3.08Å; G224-W227 PolarHBondContact O-N 2.92Å; W227-V229 HydrophobicContact CB-CG2 4.23Å |
| 228 | Y | 92.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 2% | 0.024 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.5 | 155.5 | -57.7 | -71.8 | 0 | 0 | 0 | 108 | R6 C190 S191 I193 P200 A223 | R6-Y228 PolarHBondContact O-OH 3Å; C190-Y228 CarbonylContact C-O 3.56Å; C190-Y228 VanDerWaalsContact CA-O 3.26Å; C190-Y228 WeakPolarHBondContact CA-O 3.4Å; S191-Y228 PolarHBondContact N-O 3.28Å; S191-Y228 PolarHBondContact O-N 3.42Å; I193-Y228 HydrophobicContact CB-CD2 4.49Å; I193-Y228 HydrophobicContact CB-CE2 4.04Å; I193-Y228 HydrophobicContact CD1-CE1 4.49Å; I193-Y228 HydrophobicContact CG1-CD1 4.39Å; I193-Y228 HydrophobicContact CG1-CD2 3.68Å; I193-Y228 HydrophobicContact CG1-CE1 4.27Å; I193-Y228 HydrophobicContact CG1-CE2 3.53Å; I193-Y228 HydrophobicContact CG1-CG 4.12Å; I193-Y228 HydrophobicContact CG2-CE2 4.16Å; P200-Y228 HydrophobicContact CG-CD1 4.49Å; P200-Y228 VanDerWaalsContact O-CE1 3.24Å; P200-Y228 WeakPolarHBondContact O-CE1 3.42Å; A223-Y228 HydrophobicContact CB-CD1 3.77Å; A223-Y228 HydrophobicContact CB-CE1 4.21Å |
| 229 | V | 94.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.1 | -179.6 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | I183 T185 A188 S221 I222 W227 | I183-V229 HydrophobicContact CD1-CG2 4.35Å; I183-V229 HydrophobicContact CG2-CB 4.15Å; I183-V229 HydrophobicContact CG2-CG1 4.09Å; I183-V229 HydrophobicContact CG2-CG2 3.98Å; T185-V229 HydrophobicContact CG2-CG1 4.25Å; T185-V229 HydrophobicContact CG2-CG2 4.29Å; A188-V229 HydrophobicContact CB-CG1 3.68Å; S221-V229 WeakPolarHBondContact CB-O 3.39Å; S221-V229 PolarHBondContact N-O 2.81Å; I222-V229 HydrophobicContact CG2-CB 3.91Å; I222-V229 PolarHBondContact N-O 3.13Å; I222-V229 VanDerWaalsContact N-O 3.1Å; I222-V229 PolarHBondContact O-N 2.99Å; I222-V229 VanDerWaalsContact O-O 3.12Å; W227-V229 HydrophobicContact CB-CG2 4.23Å |
| 230 | F | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.9 | -174.8 | -50.9 | -100 | 0 | 0 | 0 | 109.9 | V151 I172 L174 A188 L189 P200 I209 I219 | V151-F230 HydrophobicContact CG1-CE1 3.87Å; V151-F230 HydrophobicContact CG1-CZ 4.14Å; I172-F230 HydrophobicContact CD1-CE1 4.29Å; I172-F230 HydrophobicContact CD1-CE2 3.82Å; I172-F230 HydrophobicContact CD1-CZ 3.45Å; I172-F230 VanDerWaalsContact CD1-CZ 3.45Å; L174-F230 HydrophobicContact CD2-CD2 4.41Å; L174-F230 HydrophobicContact CD2-CE2 4.28Å; A188-F230 WeakPolarHBondContact CA-O 3.31Å; A188-F230 WeakPolarHBondContact CB-O 3.18Å; L189-F230 HydrophobicContact CB-CB 4.19Å; L189-F230 HydrophobicContact CB-CD2 4.44Å; L189-F230 PolarHBondContact N-O 3.47Å; L189-F230 WeakPolarHBondContact O-CD2 3.39Å; L189-F230 PolarHBondContact O-N 2.97Å; P200-F230 HydrophobicContact CG-CE1 3.43Å; P200-F230 VanDerWaalsContact CG-CE1 3.43Å; P200-F230 HydrophobicContact CG-CZ 3.64Å; I209-F230 HydrophobicContact CD1-CB 3.42Å; I209-F230 VanDerWaalsContact CD1-CB 3.42Å; I209-F230 HydrophobicContact CD1-CD1 3.45Å; I209-F230 VanDerWaalsContact CD1-CD1 3.45Å; I209-F230 HydrophobicContact CD1-CD2 3.96Å; I209-F230 HydrophobicContact CD1-CE1 4.17Å; I209-F230 HydrophobicContact CD1-CG 3.35Å; I209-F230 HydrophobicContact CG1-CB 4.32Å; I209-F230 HydrophobicContact CG1-CD1 3.73Å; I209-F230 HydrophobicContact CG1-CE1 4.3Å; I209-F230 HydrophobicContact CG1-CG 4.15Å; I209-F230 HydrophobicContact CG2-CD1 4.1Å; I209-F230 HydrophobicContact CG2-CE1 3.81Å; I209-F230 HydrophobicContact CG2-CZ 4.23Å; I219-F230 CarbonylContact O-C 3.55Å; I219-F230 WeakPolarHBondContact O-CA 3.3Å; I219-F230 VanDerWaalsContact O-CB 3.29Å; I219-F230 WeakPolarHBondContact O-CB 3.34Å |
| 231 | S | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136.8 | 166.2 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | S106 D108 G218 I219 H236 | S106-S231 VanDerWaalsContact O-CB 3.3Å; S106-S231 WeakPolarHBondContact O-CB 3.18Å; S106-S231 PolarHBondContact O-OG 3.27Å; D108-S231 WeakPolarHBondContact O-CB 3.08Å; G218-S231 CarbonylContact C-O 3.57Å; G218-S231 WeakPolarHBondContact CA-O 3.47Å; I219-S231 PolarHBondContact N-O 3.21Å; I219-S231 PolarHBondContact O-N 3.5Å; S231-H236 PolarHBondContact OG-CE1 3.02Å; S231-H236 VanDerWaalsContact OG-CE1 3.29Å; S231-H236 PolarHBondContact OG-ND1 3.29Å; S231-H236 VanDerWaalsContact OG-ND1 3.16Å |
| 232 | S | 96.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.1 | -178.4 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | G187 T234 T235 H236 | G187-S232 WeakPolarHBondContact O-CB 3.46Å; S232-T234 VanDerWaalsContact C-N 3.28Å; S232-T234 PolarHBondContact O-N 2.97Å; S232-T234 PolarHBondContact OG-N 3.44Å; S232-T235 WeakPolarHBondContact CB-OG1 3.3Å; S232-T235 PolarHBondContact O-N 3Å; S232-T235 PolarHBondContact OG-N 3.2Å; S232-H236 PolarHBondContact O-N 3.15Å; S232-H236 VanDerWaalsContact O-N 3.11Å; S232-H236 PolarHBondContact O-ND1 3.27Å |
| 233 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -39.5 | 169.6 | 167 | 0 | 0 | 0 | 0 | 110.8 | L42 L130 Y132 V216 V217 I219 H236 R237 I240 | L42-V233 HydrophobicContact CD2-CG2 4.47Å; L130-V233 HydrophobicContact CB-CG1 4.07Å; Y132-V233 HydrophobicContact CD1-CG1 3.5Å; Y132-V233 VanDerWaalsContact CD1-CG1 3.5Å; Y132-V233 HydrophobicContact CE1-CG1 3.66Å; Y132-V233 HydrophobicContact CG-CG1 4.2Å; V216-V233 HydrophobicContact CG1-CG2 4.02Å; V217-V233 WeakPolarHBondContact O-CB 3.24Å; V217-V233 PolarHBondContact O-N 2.78Å; I219-V233 HydrophobicContact CD1-CG2 4.05Å; V233-H236 CarbonylContact O-C 3.48Å; V233-H236 PolarHBondContact O-N 3.22Å; V233-R237 WeakPolarHBondContact O-CA 3.47Å; V233-R237 PolarHBondContact O-N 3.01Å; V233-I240 HydrophobicContact CB-CD1 4.43Å; V233-I240 HydrophobicContact CG1-CD1 4.13Å; V233-I240 HydrophobicContact CG2-CD1 4.42Å |
| 234 | T | 95.7 | Very high | 94.6 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 23% | 0.233 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -49.1 | 178.1 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | Y132 Y134 S232 H236 R237 | Y132-T234 WeakPolarHBondContact O-CG2 3.32Å; Y132-T234 PolarHBondContact O-OG1 3.06Å; Y134-T234 PolarHBondContact N-OG1 3.12Å; Y134-T234 VanDerWaalsContact O-CB 3.3Å; Y134-T234 WeakPolarHBondContact O-CB 3.33Å; Y134-T234 PolarHBondContact O-OG1 3.4Å; S232-T234 VanDerWaalsContact C-N 3.28Å; S232-T234 PolarHBondContact O-N 2.97Å; S232-T234 PolarHBondContact OG-N 3.44Å; T234-H236 VanDerWaalsContact C-N 3.26Å; T234-H236 PolarHBondContact O-N 2.02Å; T234-R237 VanDerWaalsContact O-CB 3.27Å; T234-R237 WeakPolarHBondContact O-CB 3.49Å; T234-R237 PolarHBondContact O-N 2.95Å |
| 235 | T | 96 | Very high | 94.5 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 44% | 0.436 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -36 | 178.5 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | G187 S232 | G187-T235 WeakPolarHBondContact O-CB 2.88Å; G187-T235 PolarHBondContact O-OG1 3.19Å; S232-T235 WeakPolarHBondContact CB-OG1 3.3Å; S232-T235 PolarHBondContact O-N 3Å; S232-T235 PolarHBondContact OG-N 3.2Å |
| 236 | H | 97.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.065 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 16.7 | -179.1 | -64.5 | 85.4 | 0 | 0 | 0 | 113.9 | S106 I109 S231 S232 V233 T234 T238 F239 I240 | S106-H236 PolarHBondContact O-CE1 3.22Å; I109-H236 HydrophobicContact CD1-CB 3.71Å; I109-H236 HydrophobicContact CG2-CB 4.35Å; S231-H236 PolarHBondContact OG-CE1 3.02Å; S231-H236 VanDerWaalsContact OG-CE1 3.29Å; S231-H236 PolarHBondContact OG-ND1 3.29Å; S231-H236 VanDerWaalsContact OG-ND1 3.16Å; S232-H236 PolarHBondContact O-N 3.15Å; S232-H236 VanDerWaalsContact O-N 3.11Å; S232-H236 PolarHBondContact O-ND1 3.27Å; V233-H236 CarbonylContact O-C 3.48Å; V233-H236 PolarHBondContact O-N 3.22Å; T234-H236 VanDerWaalsContact C-N 3.26Å; T234-H236 PolarHBondContact O-N 2.02Å; H236-T238 VanDerWaalsContact C-N 3.34Å; H236-T238 PolarHBondContact O-N 2.92Å; H236-F239 HydrophobicContact CB-CD1 4.44Å; H236-F239 WeakPolarHBondContact O-CB 3.16Å; H236-F239 PolarHBondContact O-N 2.87Å; H236-F239 VanDerWaalsContact O-N 3.12Å; H236-I240 HydrophobicContact CB-CD1 4.25Å; H236-I240 HydrophobicContact CB-CG1 4.41Å; H236-I240 WeakPolarHBondContact O-CG1 2.98Å; H236-I240 PolarHBondContact O-N 2.97Å |
| 237 | R | 96.6 | Very high | 92.3 | Very high | 105 Ų | 105 | 42.4 Ų | 42.4 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -49.4 | -52 | -177.1 | 175.2 | -180 | 178.6 | 160.7 | -3.5 | 112.6 | Y132 V233 T234 F239 I240 Q241 | Y132-R237 HydrophobicContact CD1-CB 3.72Å; Y132-R237 HydrophobicContact CD1-CG 3.6Å; Y132-R237 HydrophobicContact CE1-CB 4.28Å; Y132-R237 HydrophobicContact CE1-CG 4.13Å; Y132-R237 HydrophobicContact CG-CG 4.07Å; V233-R237 WeakPolarHBondContact O-CA 3.47Å; V233-R237 PolarHBondContact O-N 3.01Å; T234-R237 VanDerWaalsContact O-CB 3.27Å; T234-R237 WeakPolarHBondContact O-CB 3.49Å; T234-R237 PolarHBondContact O-N 2.95Å; R237-F239 VanDerWaalsContact C-N 3.35Å; R237-F239 PolarHBondContact O-N 3.44Å; R237-I240 PolarHBondContact O-N 3.39Å; R237-Q241 HydrophobicContact CG-CG 4.19Å; R237-Q241 VanDerWaalsContact O-CB 3.27Å; R237-Q241 WeakPolarHBondContact O-CB 3.3Å; R237-Q241 VanDerWaalsContact O-CG 3.27Å; R237-Q241 WeakPolarHBondContact O-CG 3.49Å; R237-Q241 PolarHBondContact O-N 3.04Å |
| 238 | T | 96.3 | Very high | 90.5 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 56% | 0.558 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.3 | -46 | -177.8 | -58 | 0 | 0 | 0 | 0 | 111.6 | H236 Q242 | H236-T238 VanDerWaalsContact C-N 3.34Å; H236-T238 PolarHBondContact O-N 2.92Å; T238-Q242 HydrophobicContact CG2-CG 4.48Å; T238-Q242 WeakPolarHBondContact O-CB 3.3Å; T238-Q242 WeakPolarHBondContact O-CG 3.44Å; T238-Q242 PolarHBondContact O-N 3.18Å |
| 239 | F | 97.2 | Very high | 88.7 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 9% | 0.088 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60 | -51.7 | 177.7 | 163.2 | -103 | 0 | 0 | 0 | 111.5 | I80 P82 I109 I111 H236 R237 Q241 Q242 Q243 | I80-F239 HydrophobicContact CG2-CE2 3.99Å; I80-F239 HydrophobicContact CG2-CZ 4.44Å; I80-F239 WeakPolarHBondContact O-CZ 3.48Å; P82-F239 HydrophobicContact CB-CB 4.47Å; P82-F239 HydrophobicContact CB-CD2 4Å; P82-F239 HydrophobicContact CB-CE2 4.47Å; P82-F239 HydrophobicContact CB-CG 4.16Å; I109-F239 HydrophobicContact CG2-CD1 4.36Å; I109-F239 HydrophobicContact CG2-CE1 4.29Å; I111-F239 HydrophobicContact CD1-CE1 3.88Å; I111-F239 HydrophobicContact CD1-CZ 4.09Å; I111-F239 HydrophobicContact CG1-CE1 4.03Å; I111-F239 HydrophobicContact CG1-CZ 4.18Å; H236-F239 HydrophobicContact CB-CD1 4.44Å; H236-F239 WeakPolarHBondContact O-CB 3.16Å; H236-F239 PolarHBondContact O-N 2.87Å; H236-F239 VanDerWaalsContact O-N 3.12Å; R237-F239 VanDerWaalsContact C-N 3.35Å; R237-F239 PolarHBondContact O-N 3.44Å; F239-Q241 PolarHBondContact O-N 3.36Å; F239-Q242 PolarHBondContact O-N 2.76Å; F239-Q243 HydrophobicContact CE2-CG 4.25Å; F239-Q243 HydrophobicContact CZ-CG 4.48Å; F239-Q243 WeakPolarHBondContact O-CG 3.25Å; F239-Q243 PolarHBondContact O-N 2.94Å |
| 240 | I | 97.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | -178.5 | -60.8 | 167.1 | 0 | 0 | 0 | 110.2 | I36 L42 I109 L130 Y132 V233 H236 R237 Q242 Q243 L244 | I36-I240 HydrophobicContact CD1-CG2 4.36Å; L42-I240 HydrophobicContact CD1-CD1 4.44Å; L42-I240 HydrophobicContact CD1-CG1 4.32Å; L42-I240 HydrophobicContact CD2-CD1 4.44Å; I109-I240 HydrophobicContact CD1-CD1 4.03Å; I109-I240 HydrophobicContact CD1-CG1 4.26Å; L130-I240 HydrophobicContact CD1-CG2 3.66Å; Y132-I240 HydrophobicContact CE1-CB 4.2Å; Y132-I240 HydrophobicContact CE1-CD1 4.18Å; Y132-I240 HydrophobicContact CE1-CG2 4.24Å; Y132-I240 WeakPolarHBondContact OH-CG2 3.3Å; V233-I240 HydrophobicContact CB-CD1 4.43Å; V233-I240 HydrophobicContact CG1-CD1 4.13Å; V233-I240 HydrophobicContact CG2-CD1 4.42Å; H236-I240 HydrophobicContact CB-CD1 4.25Å; H236-I240 HydrophobicContact CB-CG1 4.41Å; H236-I240 WeakPolarHBondContact O-CG1 2.98Å; H236-I240 PolarHBondContact O-N 2.97Å; R237-I240 PolarHBondContact O-N 3.39Å; I240-Q242 PolarHBondContact O-N 3.25Å; I240-Q243 PolarHBondContact O-N 3.5Å; I240-L244 HydrophobicContact CG2-CD1 3.92Å; I240-L244 HydrophobicContact CG2-CG 4.36Å; I240-L244 WeakPolarHBondContact O-CG 3.47Å; I240-L244 PolarHBondContact O-N 3.11Å |
| 241 | Q | 96.6 | Very high | 84 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | -178.7 | -74.7 | -171.6 | -39.5 | 0 | 0 | 111.9 | Y132 R237 F239 Q243 L244 Y245 | Y132-Q241 HydrophobicContact CE1-CG 4.36Å; R237-Q241 HydrophobicContact CG-CG 4.19Å; R237-Q241 VanDerWaalsContact O-CB 3.27Å; R237-Q241 WeakPolarHBondContact O-CB 3.3Å; R237-Q241 VanDerWaalsContact O-CG 3.27Å; R237-Q241 WeakPolarHBondContact O-CG 3.49Å; R237-Q241 PolarHBondContact O-N 3.04Å; F239-Q241 PolarHBondContact O-N 3.36Å; Q241-Q243 VanDerWaalsContact C-N 3.29Å; Q241-Q243 PolarHBondContact O-N 3.38Å; Q241-L244 PolarHBondContact O-N 3.38Å; Q241-Y245 HydrophobicContact CB-CD2 3.95Å; Q241-Y245 HydrophobicContact CB-CE2 3.86Å; Q241-Y245 HydrophobicContact CG-CE2 4.13Å; Q241-Y245 WeakPolarHBondContact O-CB 3.47Å; Q241-Y245 WeakPolarHBondContact O-CD2 3.5Å; Q241-Y245 PolarHBondContact O-N 3.44Å |
| 242 | Q | 95.6 | Very high | 81.7 | Confident | 102 Ų | 102 | 68.4 Ų | 68.4 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -55.9 | -44.4 | 175.2 | -77.2 | 169.6 | -7.4 | 0 | 0 | 111.9 | T238 F239 I240 N246 | T238-Q242 HydrophobicContact CG2-CG 4.48Å; T238-Q242 WeakPolarHBondContact O-CB 3.3Å; T238-Q242 WeakPolarHBondContact O-CG 3.44Å; T238-Q242 PolarHBondContact O-N 3.18Å; F239-Q242 PolarHBondContact O-N 2.76Å; I240-Q242 PolarHBondContact O-N 3.25Å; Q242-N246 PolarHBondContact O-N 3.03Å; Q242-N246 PolarHBondContact O-ND2 3.44Å; Q242-N246 PolarHBondContact O-OD1 3.03Å |
| 243 | Q | 95 | Very high | 79.1 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 16% | 0.159 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71.3 | -30.4 | 179.6 | -58.3 | -42.9 | -49 | 0 | 0 | 113.1 | K40 I80 I111 F239 I240 Q241 | K40-Q243 WeakPolarHBondContact CE-O 2.88Å; I80-Q243 HydrophobicContact CG2-CG 4.32Å; I111-Q243 HydrophobicContact CD1-CB 3.66Å; I111-Q243 HydrophobicContact CD1-CG 3.84Å; F239-Q243 HydrophobicContact CE2-CG 4.25Å; F239-Q243 HydrophobicContact CZ-CG 4.48Å; F239-Q243 WeakPolarHBondContact O-CG 3.25Å; F239-Q243 PolarHBondContact O-N 2.94Å; I240-Q243 PolarHBondContact O-N 3.5Å; Q241-Q243 VanDerWaalsContact C-N 3.29Å; Q241-Q243 PolarHBondContact O-N 3.38Å |
| 244 | L | 94.7 | Very high | 76.3 | Confident | 44 Ų | 44 | 74.6 Ų | 74.6 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -76.3 | -37.1 | 175.4 | -68.1 | 177.4 | 0 | 0 | 0 | 112.9 | I36 A37 K40 I240 Q241 | I36-L244 HydrophobicContact CB-CD2 4.46Å; I36-L244 HydrophobicContact CD1-CD2 4Å; I36-L244 HydrophobicContact CD1-CG 4.47Å; I36-L244 HydrophobicContact CG1-CD2 4.2Å; A37-L244 HydrophobicContact CB-CD2 3.95Å; K40-L244 HydrophobicContact CD-CD2 4.05Å; I240-L244 HydrophobicContact CG2-CD1 3.92Å; I240-L244 HydrophobicContact CG2-CG 4.36Å; I240-L244 WeakPolarHBondContact O-CG 3.47Å; I240-L244 PolarHBondContact O-N 3.11Å; Q241-L244 PolarHBondContact O-N 3.38Å |
| 245 | Y | 84 | Confident | 73.4 | Confident | 139 Ų | 139 | 80.4 Ų | 80.4 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -82.1 | -22.9 | -176.4 | -73.6 | -61.7 | 0 | 0 | 0 | 114.5 | Q241 D247 T248 | Q241-Y245 HydrophobicContact CB-CD2 3.95Å; Q241-Y245 HydrophobicContact CB-CE2 3.86Å; Q241-Y245 HydrophobicContact CG-CE2 4.13Å; Q241-Y245 WeakPolarHBondContact O-CB 3.47Å; Q241-Y245 WeakPolarHBondContact O-CD2 3.5Å; Q241-Y245 PolarHBondContact O-N 3.44Å; Y245-D247 PolarHBondContact O-N 3.07Å; Y245-T248 WeakPolarHBondContact O-CB 3.39Å; Y245-T248 PolarHBondContact O-N 3.34Å; Y245-T248 PolarHBondContact O-OG1 3.26Å |
| 246 | N | 70.3 | Confident | 70.5 | Confident | 80 Ų | 80 | 83.6 Ų | 83.6 | 43% | 0.428 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.7 | -23.5 | 179.9 | -79.5 | -15.4 | 0 | 0 | 0 | 113.5 | Q242 T248 N250 | Q242-N246 PolarHBondContact O-N 3.03Å; Q242-N246 PolarHBondContact O-ND2 3.44Å; Q242-N246 PolarHBondContact O-OD1 3.03Å; N246-T248 VanDerWaalsContact C-N 3.32Å; N246-T248 PolarHBondContact O-N 3.31Å; N246-N250 PolarHBondContact O-ND2 2.91Å |
| 247 | D | 60.4 | Low | 67.7 | Low | 59 Ų | 59 | 89 Ų | 89 | 32% | 0.316 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -28 | 172.6 | -66.8 | -9.7 | 0 | 0 | 0 | 113.1 | K40 Y245 L251 | K40-D247 IonicContact NZ-OD1 3.32Å; K40-D247 PolarHBondContact NZ-OD1 3.29Å; K40-D247 IonicContact NZ-OD2 2.71Å; K40-D247 PolarHBondContact NZ-OD2 2.97Å; Y245-D247 PolarHBondContact O-N 3.07Å; D247-L251 WeakPolarHBondContact O-CD1 3.39Å; D247-L251 WeakPolarHBondContact O-CG 3.38Å; D247-L251 PolarHBondContact O-N 3.49Å |
| 248 | T | 54.9 | Low | 64.6 | Low | 81 Ų | 81 | 90.5 Ų | 90.5 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -77.7 | -31.8 | -173.7 | -42.7 | 0 | 0 | 0 | 0 | 111.7 | Y245 N246 T252 | Y245-T248 WeakPolarHBondContact O-CB 3.39Å; Y245-T248 PolarHBondContact O-N 3.34Å; Y245-T248 PolarHBondContact O-OG1 3.26Å; N246-T248 VanDerWaalsContact C-N 3.32Å; N246-T248 PolarHBondContact O-N 3.31Å; T248-T252 PolarHBondContact O-OG1 3.22Å; T248-T252 VanDerWaalsContact O-OG1 3.12Å |
| 249 | I | 53 | Low | 61.8 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 59% | 0.59 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -78.2 | -36.4 | 179.9 | -61.9 | 176.3 | 0 | 0 | 0 | 110.9 | L251 T252 | I249-L251 VanDerWaalsContact C-N 3.29Å; I249-L251 PolarHBondContact O-N 3.15Å; I249-T252 PolarHBondContact O-N 2.91Å; I249-T252 PolarHBondContact O-OG1 3.28Å |
| 250 | N | 46 | Very low | 58.8 | Low | 132 Ų | 132 | 97.7 Ų | 97.7 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73.4 | -18.4 | 179.1 | -72.1 | -29.3 | 0 | 0 | 0 | 113.8 | N246 | N246-N250 PolarHBondContact O-ND2 2.91Å |
| 251 | L | 46.7 | Very low | 55.9 | Low | 146 Ų | 146 | 104.5 Ų | 104.5 | 76% | 0.764 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -11.9 | 174.8 | -72.5 | 167.1 | 0 | 0 | 0 | 113.8 | D247 I249 | D247-L251 WeakPolarHBondContact O-CD1 3.39Å; D247-L251 WeakPolarHBondContact O-CG 3.38Å; D247-L251 PolarHBondContact O-N 3.49Å; I249-L251 VanDerWaalsContact C-N 3.29Å; I249-L251 PolarHBondContact O-N 3.15Å |
| 252 | T | 48.4 | Very low | 53 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 73% | 0.73 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | -6 | -176.1 | 48 | 0 | 0 | 0 | 0 | 114.5 | T248 I249 | T248-T252 PolarHBondContact O-OG1 3.22Å; T248-T252 VanDerWaalsContact O-OG1 3.12Å; I249-T252 PolarHBondContact O-N 2.91Å; I249-T252 PolarHBondContact O-OG1 3.28Å |
| 253 | G | 41.8 | Very low | 50.3 | Low | 70 Ų | 70 | 111.6 Ų | 111.6 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -106.4 | 10.4 | -176 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 254 | G | 37.9 | Very low | 47.7 | Very low | 64 Ų | 64 | 116.5 Ų | 116.5 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | trans | -103.1 | -7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 255 | N | 36.2 | Very low | 45.2 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | trans | -125.1 | 78.6 | -173.6 | -82.9 | -10.9 | 0 | 0 | 0 | 113 | ||||
| 256 | T | 35.2 | Very low | 43.2 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | trans | -130.9 | 84.1 | 153.2 | 44.3 | 0 | 0 | 0 | 0 | 108.6 | T258 | T256-T258 PolarHBondContact O-N 3.07Š| ||
| 257 | T | 36.4 | Very low | 41.9 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -75.6 | 110.7 | 166.3 | 19.1 | 0 | 0 | 0 | 0 | 109.2 | T259 | T257-T259 PolarHBondContact O-N 3.35Š| ||
| 258 | T | 33 | Very low | 41.1 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | -66.5 | 117.6 | 159.6 | 40.8 | 0 | 0 | 0 | 0 | 109.9 | T256 | T256-T258 PolarHBondContact O-N 3.07Š| ||
| 259 | T | 37.2 | Very low | 40.6 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -131.8 | 95.7 | 163 | 12.3 | 0 | 0 | 0 | 0 | 109.5 | T257 | T257-T259 PolarHBondContact O-N 3.35Š| ||
| 260 | T | 34.1 | Very low | 40.3 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -80.8 | 118.1 | 157 | 31.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 261 | T | 37.5 | Very low | 40.3 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | trans | -162.6 | 128.1 | 144 | 7.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 262 | N | 34.7 | Very low | 40.4 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -58.3 | 148.9 | 174.7 | -70.1 | -32.6 | 0 | 0 | 0 | 113.5 | ||||
| 263 | N | 39.8 | Very low | 40.3 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | 179.4 | 115.6 | 122.3 | -90.5 | -20.6 | 0 | 0 | 0 | 113.4 | |||||
| 264 | N | 40.4 | Very low | 40.6 | Very low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | 23.8 | 119.2 | 135.6 | -65.9 | -10.4 | 0 | 0 | 0 | 120.2 | ||||
| 265 | N | 41.7 | Very low | 40.9 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 161.2 | 134.9 | 101 | -92.5 | -24.4 | 0 | 0 | 0 | 113.3 | |||||
| 266 | N | 42.4 | Very low | 41.3 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 54.2 | 113.6 | 142.9 | -66.6 | -10.8 | 0 | 0 | 0 | 120.1 | ||||
| 267 | N | 41.5 | Very low | 41.8 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | 164.1 | 132.2 | 83.3 | -108.4 | -14.2 | 0 | 0 | 0 | 112 | |||||
| 268 | N | 44.3 | Very low | 42.3 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | trans | 53.4 | 109.3 | 136.1 | -66.6 | -5.6 | 0 | 0 | 0 | 120.4 | ||||
| 269 | N | 44.6 | Very low | 42.8 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | 160.8 | 127.2 | 89 | -95.8 | -15 | 0 | 0 | 0 | 113.4 | |||||
| 270 | N | 46.6 | Very low | 43.1 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | trans | 80.7 | 123.6 | 133 | -59.7 | -13.4 | 0 | 0 | 0 | 122.6 | ||||
| 271 | N | 45.2 | Very low | 43.4 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | 94.2 | 102.8 | 144.6 | -65.5 | -4.1 | 0 | 0 | 0 | 117.2 | ||||
| 272 | I | 49.9 | Very low | 43.4 | Very low | 134 Ų | 134 | 128 Ų | 128 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | 74.2 | 113.7 | 84.1 | -73.1 | 171.4 | 0 | 0 | 0 | 107.6 | |||||
| 273 | D | 46 | Very low | 43.4 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | cis | -165 | 147.6 | 42 | -107.5 | -25.4 | 0 | 0 | 0 | 112.8 | ||||
| 274 | T | 48.5 | Very low | 43.8 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | trans | 14.1 | 143.7 | 137.5 | 58.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 275 | M | 44 | Very low | 44 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | cis | -177.8 | 153.2 | 35.1 | -129.8 | 177 | -123.3 | 0 | 0 | 110.7 | ||||
| 276 | N | 45.4 | Very low | 44.1 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | trans | 76.5 | 109.3 | 146.4 | -64 | -19.9 | 0 | 0 | 0 | 120.1 | ||||
| 277 | N | 45.2 | Very low | 44.2 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | 70.6 | 130.9 | 86.4 | -94.1 | -6.9 | 0 | 0 | 0 | 111.5 | |||||
| 278 | S | 47.3 | Very low | 44.4 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | cis | 176.3 | 151.3 | 17.5 | 33.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 279 | N | 43.2 | Very low | 44.4 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | trans | 62.1 | 146 | 146.2 | -69.3 | -2.9 | 0 | 0 | 0 | 119.5 | ||||
| 280 | S | 43 | Very low | 44.4 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | cis | -170.8 | 160.9 | -8.5 | 64.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 281 | T | 40.5 | Very low | 44.2 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | trans | 55 | 149.5 | 138.7 | 56.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 282 | D | 37.1 | Very low | 44.1 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | cis | -169.1 | 131.9 | -16.3 | -107.5 | -31.3 | 0 | 0 | 0 | 102.2 | ||||
| 283 | I | 35.4 | Very low | 43.7 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 80% | 0.795 | 75% | 0.753 | S | S | * | * | 48.7 | 109.6 | 113.3 | -52.9 | 175 | 0 | 0 | 0 | 116 | |||||
| 284 | S | 48.4 | Very low | 43.4 | Very low | 188 Ų | 188 | 130.3 Ų | 130.3 | 100% | 1.315 | 76% | 0.757 | S | S | * | * | -145.3 | 0 | 125.2 | 69.2 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 284 of 284 residues in 533.7 ms
(Link to these results)