| 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 | 34.8 | Very low | 70.9 | Confident | 245 Ų | 245 | 113.5 Ų | 113.5 | 100% | 1.207 | 57% | 0.57 | S | S | * | * | 0 | 82.4 | 0 | -73.2 | 173.7 | 161.4 | 0 | 0 | 107.3 | T3 | M1-T3 PolarHBondContact O-N 2.83Š| |||
| 2 | T | 38.8 | Very low | 72.8 | Confident | 136 Ų | 136 | 108.8 Ų | 108.8 | 83% | 0.834 | 54% | 0.544 | S | S | * | . | trans | -86.1 | 103.1 | 178.3 | 37.4 | 0 | 0 | 0 | 0 | 107.4 | D4 | T2-D4 VanDerWaalsContact C-N 3.28Å; T2-D4 PolarHBondContact O-N 3.2Å | ||
| 3 | T | 45.3 | Very low | 74.5 | Confident | 95 Ų | 95 | 100.5 Ų | 100.5 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | trans | -64.6 | 95.1 | 164.7 | 40.2 | 0 | 0 | 0 | 0 | 107.4 | M1 W5 | M1-T3 PolarHBondContact O-N 2.83Å; T3-W5 VanDerWaalsContact CB-NE1 3.27Å; T3-W5 HydrophobicContact CG2-CZ2 4.29Å; T3-W5 PolarHBondContact O-N 3.39Å; T3-W5 PolarHBondContact OG1-NE1 3.17Å | ||
| 4 | D | 54.6 | Low | 75.9 | Confident | 160 Ų | 160 | 93.4 Ų | 93.4 | 86% | 0.856 | 47% | 0.467 | S | S | * | . | trans | -62 | 96.5 | 157.6 | -101.9 | -19.5 | 0 | 0 | 0 | 106 | T2 D6 | T2-D4 VanDerWaalsContact C-N 3.28Å; T2-D4 PolarHBondContact O-N 3.2Å; D4-D6 PolarHBondContact O-N 2.7Å | ||
| 5 | W | 60.5 | Low | 77.1 | Confident | 153 Ų | 153 | 87.3 Ų | 87.3 | 58% | 0.58 | 44% | 0.436 | S | S | * | . | trans | -82.3 | 100.6 | 171.3 | -64.7 | 92.9 | 0 | 0 | 0 | 106.6 | T3 Y7 | T3-W5 VanDerWaalsContact CB-NE1 3.27Å; T3-W5 HydrophobicContact CG2-CZ2 4.29Å; T3-W5 PolarHBondContact O-N 3.39Å; T3-W5 PolarHBondContact OG1-NE1 3.17Å; W5-Y7 PolarHBondContact O-N 3.31Å | ||
| 6 | D | 84.3 | Confident | 78 | Confident | 143 Ų | 143 | 81.8 Ų | 81.8 | 77% | 0.765 | 41% | 0.409 | S | S | * | . | trans | -54.8 | 126.6 | -179.1 | -143.8 | 4.4 | 0 | 0 | 0 | 110.7 | D4 | D4-D6 PolarHBondContact O-N 2.7Š| ||
| 7 | Y | 88.7 | Confident | 78.9 | Confident | 98 Ų | 98 | 77 Ų | 77 | 38% | 0.384 | 39% | 0.385 | S | S | . | . | trans | -126.8 | 143.7 | 175.6 | 59.9 | -98 | 0 | 0 | 0 | 109 | W5 Y9 L10 H70 | W5-Y7 PolarHBondContact O-N 3.31Å; Y7-Y9 WeakPolarHBondContact CD2-O 3.49Å; Y7-L10 HydrophobicContact CD2-CB 4.38Å; Y7-L10 HydrophobicContact CE2-CB 3.63Å; Y7-H70 HydrophobicContact CD1-CB 3.99Å; Y7-H70 AromaticContact CD1-ND1 3.83Å; Y7-H70 HydrophobicContact CD2-CB 4.03Å; Y7-H70 HydrophobicContact CE1-CB 4.43Å; Y7-H70 AromaticContact CE1-ND1 3.73Å; Y7-H70 HydrophobicContact CE2-CB 4.49Å; Y7-H70 HydrophobicContact CG-CB 3.77Å | ||
| 8 | D | 91.2 | Very high | 79.6 | Confident | 94 Ų | 94 | 74.4 Ų | 74.4 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -78.1 | -36.7 | -178 | -55.7 | -62.6 | 0 | 0 | 0 | 111 | F67 K68 | D8-F67 HydrophobicContact CB-CB 4.44Å; D8-F67 HydrophobicContact CB-CD1 4.26Å; D8-F67 WeakPolarHBondContact OD2-CA 3.26Å; D8-K68 PolarHBondContact N-O 3.04Å; D8-K68 PolarHBondContact OD2-N 3.4Å |
| 9 | Y | 92.8 | Very high | 80.2 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136.7 | -179.2 | -63.3 | -79.9 | 0 | 0 | 0 | 112.6 | Y7 F67 K68 V69 H70 M183 M186 | Y7-Y9 WeakPolarHBondContact CD2-O 3.49Å; Y9-F67 HydrophobicContact CD2-CB 4.09Å; Y9-F67 HydrophobicContact CD2-CD1 4.2Å; Y9-F67 HydrophobicContact CD2-CG 4.23Å; Y9-F67 HydrophobicContact CE2-CB 4.19Å; Y9-F67 AromaticContact CE2-CD1 3.51Å; Y9-F67 HydrophobicContact CE2-CD1 3.51Å; Y9-F67 HydrophobicContact CE2-CD2 4.45Å; Y9-F67 AromaticContact CE2-CE1 3.81Å; Y9-F67 HydrophobicContact CE2-CE1 3.81Å; Y9-F67 AromaticContact CE2-CG 3.82Å; Y9-F67 HydrophobicContact CE2-CG 3.82Å; Y9-F67 HydrophobicContact CE2-CZ 4.38Å; Y9-K68 PolarHBondContact N-O 3.24Å; Y9-V69 WeakPolarHBondContact O-CA 3.35Å; Y9-H70 PolarHBondContact O-N 3.18Å; Y9-M183 HydrophobicContact CD2-CE 3.64Å; Y9-M183 HydrophobicContact CD2-SD 4.45Å; Y9-M183 HydrophobicContact CE2-CE 3.81Å; Y9-M183 HydrophobicContact CG-CE 4.22Å; Y9-M183 HydrophobicContact CG-SD 4.48Å; Y9-M186 HydrophobicContact CD1-CE 3.8Å; Y9-M186 HydrophobicContact CE1-CE 4.04Å |
| 10 | L | 93.9 | Very high | 80.7 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 29% | 0.293 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118 | 163 | 179.3 | 65.6 | 0 | 0 | 0 | 108.4 | Y7 H70 Q72 | Y7-L10 HydrophobicContact CD2-CB 4.38Å; Y7-L10 HydrophobicContact CE2-CB 3.63Å; L10-H70 WeakPolarHBondContact CA-O 3.44Å; L10-H70 HydrophobicContact CD1-CB 4.04Å; L10-H70 WeakPolarHBondContact CD1-O 3.44Å; L10-Q72 HydrophobicContact CD1-CG 3.87Å |
| 11 | I | 94.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.3 | -178.3 | -58.7 | -64 | 0 | 0 | 0 | 109.6 | L13 V69 H70 L71 Q72 M94 L179 V182 M183 M186 | I11-L13 HydrophobicContact CG2-CD2 3.71Å; I11-L13 HydrophobicContact CG2-CG 4.09Å; I11-V69 HydrophobicContact CB-CG1 4.04Å; I11-V69 HydrophobicContact CG1-CG1 3.6Å; I11-H70 PolarHBondContact N-O 3.17Å; I11-L71 HydrophobicContact CB-CD2 4Å; I11-L71 HydrophobicContact CG2-CD2 4.16Å; I11-L71 WeakPolarHBondContact O-CA 3.45Å; I11-Q72 PolarHBondContact O-N 3.34Å; I11-M94 HydrophobicContact CB-SD 4.46Å; I11-M94 HydrophobicContact CD1-CE 3.61Å; I11-M94 HydrophobicContact CD1-SD 3.87Å; I11-M94 HydrophobicContact CG2-SD 4.32Å; I11-L179 HydrophobicContact CB-CD1 4.44Å; I11-L179 HydrophobicContact CG1-CD1 4.14Å; I11-L179 HydrophobicContact CG2-CD1 4.17Å; I11-V182 HydrophobicContact CD1-CG1 4.11Å; I11-V182 HydrophobicContact CG2-CG1 4.08Å; I11-M183 HydrophobicContact CD1-SD 4.06Å; I11-M183 HydrophobicContact CG1-SD 4.24Å; I11-M186 HydrophobicContact CD1-CE 4.32Å; I11-M186 HydrophobicContact CD1-SD 3.47Å; I11-M186 WeakPolarHBondContact CD1-SD 3.41Å |
| 12 | K | 93.9 | Very high | 84.2 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 113.9 | 179.5 | -64.5 | 177.2 | -179.1 | 178 | 0 | 110.2 | Q72 D92 M94 | K12-Q72 CarbonylContact C-O 3.6Å; K12-Q72 WeakPolarHBondContact CA-O 3.41Å; K12-Q72 HydrophobicContact CG-CB 4.16Å; K12-D92 WeakPolarHBondContact CD-O 3.25Å; K12-M94 WeakPolarHBondContact O-CB 3.47Å; K12-M94 PolarHBondContact O-N 3.25Å |
| 13 | L | 95.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.6 | 175.4 | -51.1 | 179.2 | 0 | 0 | 0 | 109.6 | I11 L71 Q72 L73 W74 G95 V175 L178 V182 | I11-L13 HydrophobicContact CG2-CD2 3.71Å; I11-L13 HydrophobicContact CG2-CG 4.09Å; L13-L71 HydrophobicContact CD1-CD2 4.2Å; L13-Q72 PolarHBondContact N-O 3.06Å; L13-L73 HydrophobicContact CB-CD2 4.1Å; L13-L73 HydrophobicContact CD1-CD2 4.01Å; L13-L73 HydrophobicContact CG-CD2 4.45Å; L13-L73 WeakPolarHBondContact O-CA 3.25Å; L13-W74 PolarHBondContact O-N 3.34Å; L13-G95 WeakPolarHBondContact CA-O 3.48Å; L13-V175 HydrophobicContact CD1-CG1 4.13Å; L13-L178 HydrophobicContact CB-CD2 4.37Å; L13-L178 HydrophobicContact CD1-CD2 4.1Å; L13-L178 HydrophobicContact CD1-CG 4.38Å; L13-L178 HydrophobicContact CD2-CD2 4.02Å; L13-L178 HydrophobicContact CD2-CG 4.08Å; L13-L178 HydrophobicContact CG-CD2 4.39Å; L13-V182 HydrophobicContact CD2-CG2 4.21Å |
| 14 | L | 93.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.9 | -177.6 | -172.4 | 68.7 | 0 | 0 | 0 | 110.7 | L16 W74 T76 F89 F90 A93 G95 F96 L97 | L14-L16 HydrophobicContact CD2-CD1 4.26Å; L14-L16 HydrophobicContact CD2-CD2 3.84Å; L14-L16 HydrophobicContact CD2-CG 4.16Å; L14-L16 HydrophobicContact CG-CD2 4.03Å; L14-L16 HydrophobicContact CG-CG 4.16Å; L14-W74 HydrophobicContact CD1-CB 3.26Å; L14-W74 HydrophobicContact CD1-CG 4.25Å; L14-W74 HydrophobicContact CG-CB 4.47Å; L14-T76 HydrophobicContact CD1-CG2 3.38Å; L14-T76 HydrophobicContact CD2-CG2 4.37Å; L14-T76 HydrophobicContact CG-CG2 3.98Å; L14-F89 HydrophobicContact CD2-CB 4.37Å; L14-F90 HydrophobicContact CD2-CD1 3.51Å; L14-F90 HydrophobicContact CD2-CE1 3.71Å; L14-A93 HydrophobicContact CB-CB 3.77Å; L14-A93 HydrophobicContact CD2-CB 4.29Å; L14-G95 PolarHBondContact N-O 3.32Å; L14-F96 HydrophobicContact CB-CD1 3.86Å; L14-F96 HydrophobicContact CB-CE1 4.15Å; L14-F96 HydrophobicContact CD2-CD1 4.02Å; L14-F96 HydrophobicContact CD2-CE1 3.8Å; L14-F96 HydrophobicContact CG-CD1 4.39Å; L14-F96 CarbonylContact O-C 3.53Å; L14-F96 VanDerWaalsContact O-CA 3.3Å; L14-F96 WeakPolarHBondContact O-CA 3.48Å; L14-L97 PolarHBondContact O-N 2.89Å |
| 15 | S | 94 | Very high | 91.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.3 | 171.9 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | W74 T76 L97 | S15-W74 PolarHBondContact N-O 3.47Å; S15-W74 PolarHBondContact OG-O 3.09Å; S15-T76 WeakPolarHBondContact O-CG2 3.16Å; S15-T76 PolarHBondContact O-OG1 2.98Å; S15-L97 WeakPolarHBondContact CA-O 3.43Å |
| 16 | L | 92.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 156.7 | -175.9 | -63.8 | 175.9 | 0 | 0 | 0 | 111.7 | L14 T76 T86 F90 F96 L97 L98 M99 L118 | L14-L16 HydrophobicContact CD2-CD1 4.26Å; L14-L16 HydrophobicContact CD2-CD2 3.84Å; L14-L16 HydrophobicContact CD2-CG 4.16Å; L14-L16 HydrophobicContact CG-CD2 4.03Å; L14-L16 HydrophobicContact CG-CG 4.16Å; L16-T76 HydrophobicContact CD2-CG2 3.91Å; L16-T86 HydrophobicContact CD2-CG2 3.9Å; L16-F90 HydrophobicContact CD1-CD1 4.48Å; L16-F90 HydrophobicContact CD1-CE1 3.67Å; L16-F90 HydrophobicContact CD1-CZ 3.81Å; L16-F90 HydrophobicContact CD2-CE1 3.56Å; L16-F90 HydrophobicContact CD2-CZ 4.03Å; L16-F90 HydrophobicContact CG-CE1 4.26Å; L16-F96 HydrophobicContact CD1-CD1 3.65Å; L16-F96 HydrophobicContact CD1-CE1 4.28Å; L16-F96 HydrophobicContact CD1-CG 4.46Å; L16-F96 HydrophobicContact CG-CD1 4.47Å; L16-L97 PolarHBondContact N-O 3.04Å; L16-L98 HydrophobicContact CB-CD1 4.17Å; L16-M99 WeakPolarHBondContact O-CB 3.47Å; L16-M99 PolarHBondContact O-N 3.14Å; L16-L118 HydrophobicContact CD1-CD1 3.98Å; L16-L118 HydrophobicContact CD1-CD2 3.53Å; L16-L118 HydrophobicContact CD1-CG 3.93Å |
| 17 | G | 93.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 137.7 | 172.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K23 G78 M99 | G17-K23 PolarHBondContact O-NZ 3.48Å; G17-G78 VanDerWaalsContact O-CA 3.31Å; G17-G78 WeakPolarHBondContact O-CA 3.28Å; G17-M99 WeakPolarHBondContact CA-O 3.31Å | ||
| 18 | D | 91.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 27.5 Ų | 27.5 | 17% | 0.166 | 15% | 0.149 | C | C | . | . | trans | -62.7 | 164.4 | -175.6 | -72.4 | 6.8 | 0 | 0 | 0 | 113 | V21 K23 G78 N110 W114 | D18-V21 HydrophobicContact CB-CG1 3.87Å; D18-V21 WeakPolarHBondContact O-CG1 3.43Å; D18-V21 VanDerWaalsContact O-CG2 3.28Å; D18-V21 WeakPolarHBondContact O-CG2 3.36Å; D18-K23 PolarHBondContact O-NZ 3.05Å; D18-G78 CarbonylContact C-O 3.57Å; D18-N110 PolarHBondContact OD2-ND2 2.58Å; D18-W114 PolarHBondContact OD1-NE1 2.99Å | ||
| 19 | S | 90 | Very high | 93.8 | Very high | 52 Ų | 52 | 24.5 Ų | 24.5 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 141.2 | 172 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | V21 G78 | S19-V21 VanDerWaalsContact C-N 3.29Å; S19-V21 PolarHBondContact O-N 3.5Å; S19-G78 PolarHBondContact N-O 3.06Å |
| 20 | G | 90.9 | Very high | 94 | Very high | 26 Ų | 26 | 21.7 Ų | 21.7 | 27% | 0.268 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -5.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G22 K135 | G20-G22 VanDerWaalsContact C-N 3.29Å; G20-G22 PolarHBondContact O-N 3.08Å; G20-K135 PolarHBondContact O-NZ 3.5Å |
| 21 | V | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -68.8 | -27.4 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | D18 S19 K23 M99 D101 T134 K135 | D18-V21 HydrophobicContact CB-CG1 3.87Å; D18-V21 WeakPolarHBondContact O-CG1 3.43Å; D18-V21 VanDerWaalsContact O-CG2 3.28Å; D18-V21 WeakPolarHBondContact O-CG2 3.36Å; S19-V21 VanDerWaalsContact C-N 3.29Å; S19-V21 PolarHBondContact O-N 3.5Å; V21-K23 HydrophobicContact CG2-CG 3.81Å; V21-M99 HydrophobicContact CG2-CB 4.12Å; V21-D101 HydrophobicContact CB-CB 4.21Å; V21-D101 HydrophobicContact CG1-CB 4.16Å; V21-T134 PolarHBondContact O-OG1 2.99Å; V21-K135 WeakPolarHBondContact O-CE 3.5Å |
| 22 | G | 94.2 | Very high | 93.9 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 12% | 0.124 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 111.1 | 24.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G20 T25 F26 | G20-G22 VanDerWaalsContact C-N 3.29Å; G20-G22 PolarHBondContact O-N 3.08Å; G22-T25 WeakPolarHBondContact CA-OG1 3.22Å; G22-T25 PolarHBondContact O-N 2.72Å; G22-T25 PolarHBondContact O-OG1 2.87Å; G22-F26 WeakPolarHBondContact O-CB 3.46Å; G22-F26 PolarHBondContact O-N 3.27Å |
| 23 | K | 94.5 | Very high | 93.9 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -52.3 | -55.8 | 174 | -60.7 | -174.1 | -66 | -72.9 | 0 | 112.3 | G17 D18 V21 T25 F26 L27 D75 T76 G78 M99 | G17-K23 PolarHBondContact O-NZ 3.48Å; D18-K23 PolarHBondContact O-NZ 3.05Å; V21-K23 HydrophobicContact CG2-CG 3.81Å; K23-T25 PolarHBondContact O-N 3Å; K23-F26 WeakPolarHBondContact O-CB 3.4Å; K23-F26 PolarHBondContact O-N 2.97Å; K23-L27 WeakPolarHBondContact O-CG 3.31Å; K23-L27 PolarHBondContact O-N 3.18Å; K23-D75 WeakPolarHBondContact CB-OD1 3.37Å; K23-T76 WeakPolarHBondContact CE-O 3.44Å; K23-G78 VanDerWaalsContact NZ-CA 3.32Å; K23-M99 HydrophobicContact CB-SD 4.17Å; K23-M99 HydrophobicContact CG-CB 4.39Å; K23-M99 HydrophobicContact CG-CG 4.46Å; K23-M99 HydrophobicContact CG-SD 3.8Å |
| 24 | T | 93.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 32.8 Ų | 32.8 | 23% | 0.233 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.9 | -51.5 | 178.2 | -41.6 | 0 | 0 | 0 | 0 | 111.7 | F26 L27 Y28 T42 D75 | T24-F26 VanDerWaalsContact C-N 3.28Å; T24-F26 PolarHBondContact O-N 3.26Å; T24-L27 PolarHBondContact O-N 2.99Å; T24-Y28 HydrophobicContact CG2-CD2 3.8Å; T24-Y28 HydrophobicContact CG2-CE2 3.67Å; T24-Y28 WeakPolarHBondContact O-CD2 3.2Å; T24-Y28 PolarHBondContact O-N 3.3Å; T24-T42 PolarHBondContact OG1-OG1 3.03Å; T24-D75 VanDerWaalsContact CB-OD2 3.27Å; T24-D75 WeakPolarHBondContact CB-OD2 3.33Å; T24-D75 WeakPolarHBondContact CG2-OD2 3.11Å; T24-D75 PolarHBondContact N-OD1 3.4Å; T24-D75 PolarHBondContact OG1-OD1 2.77Å; T24-D75 PolarHBondContact OG1-OD2 3.28Å |
| 25 | T | 94.5 | Very high | 93.2 | Very high | 38 Ų | 38 | 36.3 Ų | 36.3 | 23% | 0.233 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -32 | -178.1 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | G22 K23 R29 F35 | G22-T25 WeakPolarHBondContact CA-OG1 3.22Å; G22-T25 PolarHBondContact O-N 2.72Å; G22-T25 PolarHBondContact O-OG1 2.87Å; K23-T25 PolarHBondContact O-N 3Å; T25-R29 WeakPolarHBondContact O-CB 3.25Å; T25-R29 PolarHBondContact O-N 2.96Å; T25-F35 HydrophobicContact CG2-CE2 4.42Å |
| 26 | F | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -48.5 | 172 | -180 | -82.6 | 0 | 0 | 0 | 111.8 | G22 K23 T24 Y28 R29 Y30 L97 M99 V132 T163 S165 V171 A174 V175 | G22-F26 WeakPolarHBondContact O-CB 3.46Å; G22-F26 PolarHBondContact O-N 3.27Å; K23-F26 WeakPolarHBondContact O-CB 3.4Å; K23-F26 PolarHBondContact O-N 2.97Å; T24-F26 VanDerWaalsContact C-N 3.28Å; T24-F26 PolarHBondContact O-N 3.26Å; F26-Y28 VanDerWaalsContact C-N 3.35Å; F26-Y28 PolarHBondContact O-N 3.46Å; F26-R29 WeakPolarHBondContact O-CB 3.49Å; F26-R29 PolarHBondContact O-N 2.86Å; F26-Y30 PolarHBondContact O-N 2.77Å; F26-L97 HydrophobicContact CD1-CD1 4.43Å; F26-L97 HydrophobicContact CE1-CD1 3.82Å; F26-M99 HydrophobicContact CB-CE 3.61Å; F26-M99 HydrophobicContact CD1-CE 4.12Å; F26-M99 HydrophobicContact CD1-SD 4.48Å; F26-M99 HydrophobicContact CD2-CE 3.72Å; F26-M99 HydrophobicContact CE2-CE 4.43Å; F26-M99 HydrophobicContact CG-CE 3.55Å; F26-M99 HydrophobicContact CG-SD 4.43Å; F26-V132 HydrophobicContact CE2-CG1 4.18Å; F26-T163 HydrophobicContact CE2-CG2 4Å; F26-S165 VanDerWaalsContact CA-OG 3.23Å; F26-S165 WeakPolarHBondContact CA-OG 3.33Å; F26-S165 PolarHBondContact N-OG 3.34Å; F26-V171 HydrophobicContact CD1-CG1 4.49Å; F26-V171 HydrophobicContact CD2-CB 4.49Å; F26-V171 HydrophobicContact CD2-CG1 4.11Å; F26-V171 HydrophobicContact CD2-CG2 3.96Å; F26-V171 HydrophobicContact CE1-CG1 4.18Å; F26-V171 HydrophobicContact CE2-CB 4.01Å; F26-V171 HydrophobicContact CE2-CG1 3.79Å; F26-V171 HydrophobicContact CE2-CG2 3.82Å; F26-V171 HydrophobicContact CG-CG1 4.44Å; F26-V171 HydrophobicContact CZ-CB 4.35Å; F26-V171 HydrophobicContact CZ-CG1 3.81Å; F26-A174 HydrophobicContact CZ-CB 4.16Å; F26-V175 HydrophobicContact CE1-CG2 3.66Å; F26-V175 HydrophobicContact CZ-CG2 3.96Å |
| 27 | L | 95.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 177.4 | -65.4 | -176.7 | 0 | 0 | 0 | 111.8 | K23 T24 R29 Y30 T31 L73 D75 L97 | K23-L27 WeakPolarHBondContact O-CG 3.31Å; K23-L27 PolarHBondContact O-N 3.18Å; T24-L27 PolarHBondContact O-N 2.99Å; L27-R29 PolarHBondContact O-N 3.02Å; L27-Y30 PolarHBondContact O-N 3.16Å; L27-T31 WeakPolarHBondContact O-CG2 3.21Å; L27-T31 PolarHBondContact O-N 3.49Å; L27-T31 PolarHBondContact O-OG1 3.09Å; L27-L73 HydrophobicContact CD1-CB 4.32Å; L27-L73 HydrophobicContact CD2-CB 3.91Å; L27-L73 HydrophobicContact CD2-CD1 4.34Å; L27-L73 HydrophobicContact CD2-CD2 4.39Å; L27-L73 HydrophobicContact CD2-CG 4.45Å; L27-D75 HydrophobicContact CD1-CB 3.79Å; L27-L97 HydrophobicContact CD2-CD1 4.36Å |
| 28 | Y | 93.9 | Very high | 90.7 | Very high | 88 Ų | 88 | 59.7 Ų | 59.7 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 173.2 | -90.7 | -104.4 | 0 | 0 | 0 | 112.7 | T24 F26 D32 K34 R48 | T24-Y28 HydrophobicContact CG2-CD2 3.8Å; T24-Y28 HydrophobicContact CG2-CE2 3.67Å; T24-Y28 WeakPolarHBondContact O-CD2 3.2Å; T24-Y28 PolarHBondContact O-N 3.3Å; F26-Y28 VanDerWaalsContact C-N 3.35Å; F26-Y28 PolarHBondContact O-N 3.46Å; Y28-D32 PolarHBondContact O-N 2.81Å; Y28-K34 CarbonylContact C-O 3.41Å; Y28-R48 VanDerWaalsContact CE2-NE 3.33Å |
| 29 | R | 96.1 | Very high | 89.4 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 12% | 0.117 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 174.7 | 173.7 | 56.5 | 67.8 | 174.4 | 12.6 | 110.2 | T25 F26 L27 N33 K34 S165 A166 V171 | T25-R29 WeakPolarHBondContact O-CB 3.25Å; T25-R29 PolarHBondContact O-N 2.96Å; F26-R29 WeakPolarHBondContact O-CB 3.49Å; F26-R29 PolarHBondContact O-N 2.86Å; L27-R29 PolarHBondContact O-N 3.02Å; R29-N33 PolarHBondContact NH1-O 3.07Å; R29-N33 VanDerWaalsContact NH1-O 3.15Å; R29-N33 PolarHBondContact NH1-OD1 2.87Å; R29-N33 WeakPolarHBondContact O-CA 3.3Å; R29-N33 PolarHBondContact O-N 3.36Å; R29-K34 WeakPolarHBondContact CA-O 3.37Å; R29-K34 PolarHBondContact N-O 3.39Å; R29-S165 PolarHBondContact NE-O 3.17Å; R29-S165 PolarHBondContact NH2-O 3.4Å; R29-S165 VanDerWaalsContact NH2-O 3.09Å; R29-A166 PolarHBondContact NH2-O 3.13Å; R29-V171 HydrophobicContact CB-CG1 4.42Å; R29-V171 HydrophobicContact CG-CB 4.29Å; R29-V171 HydrophobicContact CG-CG1 4.05Å; R29-V171 HydrophobicContact CG-CG2 4.03Å |
| 30 | Y | 97.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | -178.8 | -179.6 | -108.9 | 0 | 0 | 0 | 113.1 | F26 L27 K50 L71 L73 V171 D172 V175 | F26-Y30 PolarHBondContact O-N 2.77Å; L27-Y30 PolarHBondContact O-N 3.16Å; Y30-K50 HydrophobicContact CD1-CD 3.76Å; Y30-K50 HydrophobicContact CE1-CB 4.26Å; Y30-K50 HydrophobicContact CE1-CD 3.29Å; Y30-K50 HydrophobicContact CE1-CG 4.37Å; Y30-K50 HydrophobicContact CE2-CD 4.29Å; Y30-K50 HydrophobicContact CG-CD 4.45Å; Y30-K50 WeakPolarHBondContact O-CE 3.21Å; Y30-K50 PolarHBondContact O-NZ 2.85Å; Y30-L71 HydrophobicContact CE1-CD1 3.88Å; Y30-L71 WeakPolarHBondContact OH-CD1 3.46Å; Y30-L73 HydrophobicContact CD1-CD1 3.52Å; Y30-L73 HydrophobicContact CE1-CD1 3.82Å; Y30-V171 HydrophobicContact CD2-CG1 4.4Å; Y30-D172 WeakPolarHBondContact CD2-OD1 3.32Å; Y30-D172 HydrophobicContact CE2-CB 4.4Å; Y30-D172 WeakPolarHBondContact CE2-OD1 3.44Å; Y30-V175 HydrophobicContact CD1-CG1 4.31Å; Y30-V175 HydrophobicContact CD1-CG2 4.27Å; Y30-V175 HydrophobicContact CD2-CB 4.11Å; Y30-V175 HydrophobicContact CD2-CG2 3.9Å; Y30-V175 HydrophobicContact CE1-CB 4.29Å; Y30-V175 HydrophobicContact CE1-CG1 3.68Å; Y30-V175 HydrophobicContact CE1-CG2 4.4Å; Y30-V175 HydrophobicContact CE2-CB 3.74Å; Y30-V175 HydrophobicContact CE2-CG1 3.94Å; Y30-V175 HydrophobicContact CE2-CG2 4.06Å; Y30-V175 HydrophobicContact CG-CG2 3.99Å; Y30-V175 VanDerWaalsContact CZ-CG1 3.45Å |
| 31 | T | 95 | Very high | 87.6 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -82.3 | -41.9 | -175.3 | 68 | 0 | 0 | 0 | 0 | 113.5 | L27 R48 K50 L73 | L27-T31 WeakPolarHBondContact O-CG2 3.21Å; L27-T31 PolarHBondContact O-N 3.49Å; L27-T31 PolarHBondContact O-OG1 3.09Å; T31-R48 HydrophobicContact CG2-CB 3.92Å; T31-R48 PolarHBondContact OG1-NH1 2.83Å; T31-K50 HydrophobicContact CG2-CB 4.14Å; T31-L73 HydrophobicContact CG2-CD1 3.51Å |
| 32 | D | 92.3 | Very high | 86.5 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -112.4 | -3.7 | -168.6 | -59.1 | 0.2 | 0 | 0 | 0 | 112.9 | Y28 K34 R48 | Y28-D32 PolarHBondContact O-N 2.81Å; D32-K34 HydrophobicContact CB-CB 4.19Å; D32-K34 HydrophobicContact CB-CD 3.99Å; D32-K34 HydrophobicContact CB-CG 4.12Å; D32-K34 WeakPolarHBondContact O-CG 3.43Å; D32-K34 PolarHBondContact O-N 3.45Å; D32-R48 IonicContact OD1-NH1 3.45Å; D32-R48 PolarHBondContact OD1-NH1 3.49Å; D32-R48 VanDerWaalsContact OD1-NH1 3.1Å; D32-R48 IonicContact OD2-CZ 3.06Å; D32-R48 IonicContact OD2-NH1 3.23Å; D32-R48 PolarHBondContact OD2-NH1 2.95Å; D32-R48 IonicContact OD2-NH2 3.12Å; D32-R48 PolarHBondContact OD2-NH2 3.3Å |
| 33 | N | 92 | Very high | 85.4 | Confident | 119 Ų | 119 | 75.9 Ų | 75.9 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 51.3 | 38.3 | -169.3 | -163.2 | 17 | 0 | 0 | 0 | 113 | R29 | R29-N33 PolarHBondContact NH1-O 3.07Å; R29-N33 VanDerWaalsContact NH1-O 3.15Å; R29-N33 PolarHBondContact NH1-OD1 2.87Å; R29-N33 WeakPolarHBondContact O-CA 3.3Å; R29-N33 PolarHBondContact O-N 3.36Å |
| 34 | K | 88.6 | Confident | 84.3 | Confident | 135 Ų | 135 | 76.1 Ų | 76.1 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | trans | -119.9 | 148 | -178.5 | -73.4 | 173.4 | -170.9 | 172.1 | 0 | 111.1 | Y28 R29 D32 | Y28-K34 CarbonylContact C-O 3.41Å; R29-K34 WeakPolarHBondContact CA-O 3.37Å; R29-K34 PolarHBondContact N-O 3.39Å; D32-K34 HydrophobicContact CB-CB 4.19Å; D32-K34 HydrophobicContact CB-CD 3.99Å; D32-K34 HydrophobicContact CB-CG 4.12Å; D32-K34 WeakPolarHBondContact O-CG 3.43Å; D32-K34 PolarHBondContact O-N 3.45Å | ||
| 35 | F | 86.8 | Confident | 83.6 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 33% | 0.333 | 38% | 0.376 | S | S | . | . | trans | -130.7 | 124.9 | 170.8 | 176.4 | -108.8 | 0 | 0 | 0 | 110.1 | T25 R37 S165 A166 | T25-F35 HydrophobicContact CG2-CE2 4.42Å; F35-R37 HydrophobicContact CD1-CG 4.09Å; F35-R37 HydrophobicContact CE1-CB 4.47Å; F35-R37 HydrophobicContact CE1-CG 3.41Å; F35-R37 VanDerWaalsContact CE1-CG 3.41Å; F35-R37 HydrophobicContact CZ-CG 4.15Å; F35-S165 WeakPolarHBondContact CD2-O 3.11Å; F35-A166 HydrophobicContact CD1-CB 4.21Å; F35-A166 HydrophobicContact CD2-CB 4.5Å; F35-A166 HydrophobicContact CE1-CB 3.87Å; F35-A166 HydrophobicContact CE2-CB 4.22Å; F35-A166 HydrophobicContact CG-CB 4.5Å; F35-A166 HydrophobicContact CZ-CB 3.9Å | ||
| 36 | N | 80.1 | Confident | 83.2 | Confident | 101 Ų | 101 | 78.2 Ų | 78.2 | 54% | 0.54 | 39% | 0.385 | S | S | . | . | trans | -109.2 | 122 | 172.5 | -171.3 | -4.8 | 0 | 0 | 0 | 109 | K38 | N36-K38 VanDerWaalsContact C-N 3.27Å; N36-K38 PolarHBondContact O-N 3.28Å; N36-K38 WeakPolarHBondContact OD1-CB 3.49Å; N36-K38 PolarHBondContact OD1-N 3.34Å | ||
| 37 | R | 73.6 | Confident | 82.7 | Confident | 225 Ų | 225 | 82.3 Ų | 82.3 | 85% | 0.849 | 40% | 0.403 | S | S | * | . | trans | -71 | -22.3 | 176.1 | -73.2 | -178.5 | -178.3 | -171 | 0 | 112.9 | F35 F39 | F35-R37 HydrophobicContact CD1-CG 4.09Å; F35-R37 HydrophobicContact CE1-CB 4.47Å; F35-R37 HydrophobicContact CE1-CG 3.41Å; F35-R37 VanDerWaalsContact CE1-CG 3.41Å; F35-R37 HydrophobicContact CZ-CG 4.15Å; R37-F39 PolarHBondContact O-N 3.13Å; R37-F39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | K | 72.5 | Confident | 82.5 | Confident | 166 Ų | 166 | 84.5 Ų | 84.5 | 72% | 0.722 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -70.5 | 111.7 | 178.3 | -68.1 | -175 | 178.2 | -179.5 | 0 | 108.7 | N36 T40 | N36-K38 VanDerWaalsContact C-N 3.27Å; N36-K38 PolarHBondContact O-N 3.28Å; N36-K38 WeakPolarHBondContact OD1-CB 3.49Å; N36-K38 PolarHBondContact OD1-N 3.34Å; K38-T40 PolarHBondContact O-N 2.96Å |
| 39 | F | 64.4 | Low | 82.5 | Confident | 132 Ų | 132 | 84.8 Ų | 84.8 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | trans | -74 | 115.7 | 174.3 | -174.3 | -101.5 | 0 | 0 | 0 | 109.3 | R37 T41 | R37-F39 PolarHBondContact O-N 3.13Å; R37-F39 VanDerWaalsContact O-N 3.14Å; F39-T41 WeakPolarHBondContact CE1-OG1 3.25Å | ||
| 40 | T | 69.9 | Low | 82.5 | Confident | 111 Ų | 111 | 85.7 Ų | 85.7 | 68% | 0.681 | 42% | 0.42 | S | S | * | . | trans | -115.1 | 122.4 | 166.3 | -54.8 | 0 | 0 | 0 | 0 | 107.1 | K38 T42 | K38-T40 PolarHBondContact O-N 2.96Å; T40-T42 PolarHBondContact O-N 2.91Å | ||
| 41 | T | 74.4 | Confident | 82.3 | Confident | 66 Ų | 66 | 91.6 Ų | 91.6 | 41% | 0.405 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 124.6 | 177.2 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | F39 V43 | F39-T41 WeakPolarHBondContact CE1-OG1 3.25Å; T41-V43 PolarHBondContact O-N 2.73Å |
| 42 | T | 71.9 | Confident | 82.3 | Confident | 28 Ų | 28 | 91.6 Ų | 91.6 | 17% | 0.172 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 123.7 | 172.2 | -51.7 | 0 | 0 | 0 | 0 | 109.6 | T24 T40 D75 A77 | T24-T42 PolarHBondContact OG1-OG1 3.03Å; T40-T42 PolarHBondContact O-N 2.91Å; T42-D75 PolarHBondContact OG1-OD2 3.05Å; T42-A77 WeakPolarHBondContact O-CB 3.29Å |
| 43 | V | 71.2 | Confident | 82.4 | Confident | 124 Ų | 124 | 93 Ų | 93 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 118.3 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | T41 | T41-V43 PolarHBondContact O-N 2.73Š|
| 44 | G | 71.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 88 Ų | 88 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 78.7 | -133.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | A77 | G44-A77 WeakPolarHBondContact O-CB 3.49Å; G44-A77 PolarHBondContact O-N 3Å |
| 45 | I | 77.6 | Confident | 82.4 | Confident | 43 Ų | 43 | 86 Ų | 86 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.9 | -175.5 | -66.9 | 172.1 | 0 | 0 | 0 | 107.8 | W74 D75 L85 F89 | I45-W74 HydrophobicContact CG2-CE3 3.58Å; I45-W74 HydrophobicContact CG2-CZ3 3.95Å; I45-D75 WeakPolarHBondContact CA-O 3.49Å; I45-L85 HydrophobicContact CD1-CD2 4.06Å; I45-L85 HydrophobicContact CD1-CG 3.92Å; I45-L85 HydrophobicContact CG1-CD2 4.33Å; I45-F89 HydrophobicContact CD1-CD2 3.24Å; I45-F89 HydrophobicContact CD1-CE1 4.41Å; I45-F89 HydrophobicContact CD1-CE2 3.11Å; I45-F89 HydrophobicContact CD1-CG 3.99Å; I45-F89 HydrophobicContact CD1-CZ 3.74Å; I45-F89 HydrophobicContact CG1-CE2 4.48Å; I45-F89 HydrophobicContact CG2-CE1 4.39Å; I45-F89 HydrophobicContact CG2-CZ 4.43Å |
| 46 | D | 85.4 | Confident | 82.1 | Confident | 77 Ų | 77 | 82.5 Ų | 82.5 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 164.6 | 174.5 | -166.2 | 11 | 0 | 0 | 0 | 108.3 | D75 | D46-D75 HydrophobicContact CB-CB 4.44Å; D46-D75 PolarHBondContact N-O 2.93Å; D46-D75 VanDerWaalsContact N-O 3.07Å; D46-D75 PolarHBondContact O-N 3.08Å |
| 47 | F | 86.3 | Confident | 81.8 | Confident | 86 Ų | 86 | 81 Ų | 81 | 38% | 0.377 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 154.1 | 172.1 | 74.1 | -83.9 | 0 | 0 | 0 | 111.6 | E49 L73 W74 | F47-E49 HydrophobicContact CD2-CG 4.04Å; F47-E49 HydrophobicContact CE2-CG 3.89Å; F47-L73 CarbonylContact C-O 3.6Å; F47-L73 VanDerWaalsContact CA-O 3.24Å; F47-L73 WeakPolarHBondContact CA-O 3.42Å; F47-W74 HydrophobicContact CB-CD2 3.93Å; F47-W74 HydrophobicContact CB-CE3 4.01Å; F47-W74 HydrophobicContact CB-CG 4.23Å; F47-W74 HydrophobicContact CB-CZ3 4.46Å; F47-W74 HydrophobicContact CD1-CH2 4.33Å; F47-W74 HydrophobicContact CD1-CZ3 4.27Å |
| 48 | R | 91.2 | Very high | 81.5 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 18% | 0.181 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151 | 176.2 | -63.3 | -167.5 | 134.4 | -134.2 | -10.6 | 110.5 | Y28 T31 D32 L73 | Y28-R48 VanDerWaalsContact CE2-NE 3.33Å; T31-R48 HydrophobicContact CG2-CB 3.92Å; T31-R48 PolarHBondContact OG1-NH1 2.83Å; D32-R48 IonicContact OD1-NH1 3.45Å; D32-R48 PolarHBondContact OD1-NH1 3.49Å; D32-R48 VanDerWaalsContact OD1-NH1 3.1Å; D32-R48 IonicContact OD2-CZ 3.06Å; D32-R48 IonicContact OD2-NH1 3.23Å; D32-R48 PolarHBondContact OD2-NH1 2.95Å; D32-R48 IonicContact OD2-NH2 3.12Å; D32-R48 PolarHBondContact OD2-NH2 3.3Å; R48-L73 PolarHBondContact N-O 3.37Å; R48-L73 WeakPolarHBondContact O-CB 3.34Å; R48-L73 PolarHBondContact O-N 3.3Å |
| 49 | E | 94.8 | Very high | 80.9 | Confident | 94 Ų | 94 | 68.5 Ų | 68.5 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.1 | -178.6 | -69.1 | -177.9 | 144.9 | 0 | 0 | 110.8 | F47 H70 L71 Q72 | F47-E49 HydrophobicContact CD2-CG 4.04Å; F47-E49 HydrophobicContact CE2-CG 3.89Å; E49-H70 VanDerWaalsContact CD-NE2 3.28Å; E49-H70 IonicContact OE1-CE1 2.95Å; E49-H70 IonicContact OE1-NE2 3.97Å; E49-H70 PolarHBondContact OE1-NE2 2.72Å; E49-H70 IonicContact OE2-CE1 3.43Å; E49-H70 IonicContact OE2-NE2 2.89Å; E49-L71 VanDerWaalsContact CA-O 3.23Å; E49-L71 WeakPolarHBondContact CA-O 3.27Å; E49-Q72 HydrophobicContact CG-CG 3.98Å; E49-Q72 PolarHBondContact OE1-NE2 3.45Å |
| 50 | K | 95.1 | Very high | 81 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 133 | 171.4 | -166.8 | -176.1 | -175 | 175.9 | 0 | 108.8 | Y30 T31 V52 L71 D172 | Y30-K50 HydrophobicContact CD1-CD 3.76Å; Y30-K50 HydrophobicContact CE1-CB 4.26Å; Y30-K50 HydrophobicContact CE1-CD 3.29Å; Y30-K50 HydrophobicContact CE1-CG 4.37Å; Y30-K50 HydrophobicContact CE2-CD 4.29Å; Y30-K50 HydrophobicContact CG-CD 4.45Å; Y30-K50 WeakPolarHBondContact O-CE 3.21Å; Y30-K50 PolarHBondContact O-NZ 2.85Å; T31-K50 HydrophobicContact CG2-CB 4.14Å; K50-V52 HydrophobicContact CD-CG1 4.08Å; K50-V52 HydrophobicContact CG-CG1 4.12Å; K50-L71 PolarHBondContact N-O 3.03Å; K50-L71 VanDerWaalsContact O-CB 3.28Å; K50-L71 WeakPolarHBondContact O-CB 3.38Å; K50-L71 PolarHBondContact O-N 2.76Å; K50-D172 IonicContact NZ-OD1 3.05Å; K50-D172 PolarHBondContact NZ-OD1 3.47Å |
| 51 | R | 94.4 | Very high | 80.5 | Confident | 132 Ų | 132 | 66.5 Ų | 66.5 | 50% | 0.498 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.2 | 171.5 | -65.9 | -176.8 | -176.1 | 162.5 | -0.5 | 109.4 | V69 | R51-V69 WeakPolarHBondContact CA-O 3.45Å |
| 52 | V | 95.2 | Very high | 80.1 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 155.9 | 179.3 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | K50 V69 L71 L179 | K50-V52 HydrophobicContact CD-CG1 4.08Å; K50-V52 HydrophobicContact CG-CG1 4.12Å; V52-V69 HydrophobicContact CG2-CB 3.83Å; V52-V69 HydrophobicContact CG2-CG1 4.28Å; V52-V69 PolarHBondContact N-O 3.04Å; V52-V69 PolarHBondContact O-N 2.81Å; V52-L71 HydrophobicContact CG1-CD1 3.9Å; V52-L71 HydrophobicContact CG2-CD1 3.86Å; V52-L71 HydrophobicContact CG2-CG 4Å; V52-L179 HydrophobicContact CG2-CD2 3.79Å |
| 53 | T | 93.5 | Very high | 80 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118 | 171.4 | -59.3 | 0 | 0 | 0 | 0 | 107.5 | L55 T66 F67 | T53-L55 HydrophobicContact CG2-CD2 4.36Å; T53-T66 HydrophobicContact CG2-CG2 3.28Å; T53-F67 CarbonylContact C-O 3.44Å; T53-F67 WeakPolarHBondContact CA-O 3.43Å |
| 54 | Y | 92.3 | Very high | 79.9 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 6% | 0.059 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.1 | 175.4 | 178.5 | -103.9 | 0 | 0 | 0 | 109.4 | F67 L179 D180 M183 | Y54-F67 HydrophobicContact CD1-CD2 4.02Å; Y54-F67 PolarHBondContact N-O 3.21Å; Y54-F67 PolarHBondContact O-N 2.98Å; Y54-L179 HydrophobicContact CD2-CD2 4.23Å; Y54-L179 HydrophobicContact CD2-CG 4.24Å; Y54-D180 HydrophobicContact CE2-CB 4.18Å; Y54-D180 PolarHBondContact OH-OD1 2.87Å; Y54-M183 HydrophobicContact CD1-CB 4.19Å; Y54-M183 HydrophobicContact CD1-CE 3.65Å; Y54-M183 HydrophobicContact CD1-CG 3.93Å; Y54-M183 HydrophobicContact CD2-CG 4.32Å; Y54-M183 HydrophobicContact CE1-CB 3.65Å; Y54-M183 HydrophobicContact CE1-CE 4.08Å; Y54-M183 HydrophobicContact CE1-CG 3.91Å; Y54-M183 HydrophobicContact CE2-CB 4.32Å; Y54-M183 HydrophobicContact CE2-CG 4.3Å; Y54-M183 HydrophobicContact CG-CE 4.36Å; Y54-M183 HydrophobicContact CG-CG 4.15Å |
| 55 | L | 89.1 | Confident | 80.4 | Confident | 92 Ų | 92 | 75.7 Ų | 75.7 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 103.8 | 177.5 | -60.2 | 179.1 | 0 | 0 | 0 | 107.8 | T53 T57 T63 T66 | T53-L55 HydrophobicContact CG2-CD2 4.36Å; L55-T57 PolarHBondContact O-N 3.02Å; L55-T63 HydrophobicContact CB-CG2 4Å; L55-T63 HydrophobicContact CD2-CG2 4.15Å; L55-T66 HydrophobicContact CD2-CG2 3.89Å; L55-T66 WeakPolarHBondContact CD2-OG1 3.46Å |
| 56 | G | 80.1 | Confident | 80.9 | Confident | 3 Ų | 3 | 77.8 Ų | 77.8 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E64 K65 | G56-E64 PolarHBondContact O-N 3.03Å; G56-K65 PolarHBondContact N-O 2.88Å |
| 57 | T | 73.8 | Confident | 81.1 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.4 | 173.4 | 35.3 | 0 | 0 | 0 | 0 | 110.2 | L55 | L55-T57 PolarHBondContact O-N 3.02Å |
| 58 | G | 66.4 | Low | 81.5 | Confident | 11 Ų | 11 | 77 Ų | 77 | 11% | 0.113 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 169.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N60 G61 T62 E64 | G58-N60 PolarHBondContact O-N 2.88Å; G58-G61 PolarHBondContact O-N 3.18Å; G58-T62 PolarHBondContact N-O 3.34Å; G58-E64 WeakPolarHBondContact CA-OE2 3.32Å |
| 59 | S | 61.3 | Low | 81.7 | Confident | 119 Ų | 119 | 74.9 Ų | 74.9 | 83% | 0.832 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19 | -179.7 | 51 | 0 | 0 | 0 | 0 | 114.8 | ||
| 60 | N | 65.1 | Low | 81.7 | Confident | 140 Ų | 140 | 71.3 Ų | 71.3 | 75% | 0.749 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 4.9 | -177.5 | -52 | -18.9 | 0 | 0 | 0 | 113.5 | G58 T62 | G58-N60 PolarHBondContact O-N 2.88Å; N60-T62 PolarHBondContact O-N 3.02Å |
| 61 | G | 61.2 | Low | 81.8 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 62% | 0.619 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 77.9 | -0.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | G58 | G58-G61 PolarHBondContact O-N 3.18Š|
| 62 | T | 64.8 | Low | 81.9 | Confident | 87 Ų | 87 | 64 Ų | 64 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -80.8 | 137.5 | 171 | 39.5 | 0 | 0 | 0 | 0 | 111 | G58 N60 E64 | G58-T62 PolarHBondContact N-O 3.34Å; N60-T62 PolarHBondContact O-N 3.02Å; T62-E64 PolarHBondContact O-N 3.27Å; T62-E64 VanDerWaalsContact O-N 3.09Å |
| 63 | T | 69.7 | Low | 81.8 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 112.8 | 169.3 | -55 | 0 | 0 | 0 | 0 | 108.9 | L55 | L55-T63 HydrophobicContact CB-CG2 4Å; L55-T63 HydrophobicContact CD2-CG2 4.15Å |
| 64 | E | 70.4 | Confident | 81.8 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -34.9 | -171.8 | -165.6 | 170.2 | -167 | 0 | 0 | 111.2 | G56 G58 T62 | G56-E64 PolarHBondContact O-N 3.03Å; G58-E64 WeakPolarHBondContact CA-OE2 3.32Å; T62-E64 PolarHBondContact O-N 3.27Å; T62-E64 VanDerWaalsContact O-N 3.09Å |
| 65 | K | 80.4 | Confident | 81.7 | Confident | 123 Ų | 123 | 60 Ų | 60 | 54% | 0.535 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 144.1 | -179.6 | -67.9 | 178.5 | -174.7 | 164.2 | 0 | 111.4 | G56 F67 | G56-K65 PolarHBondContact N-O 2.88Å; K65-F67 HydrophobicContact CB-CD2 4.27Å; K65-F67 HydrophobicContact CB-CE1 4.21Å; K65-F67 HydrophobicContact CB-CE2 3.57Å; K65-F67 HydrophobicContact CB-CZ 3.55Å; K65-F67 HydrophobicContact CD-CE1 4.27Å; K65-F67 HydrophobicContact CD-CE2 4.35Å; K65-F67 HydrophobicContact CD-CZ 3.61Å; K65-F67 HydrophobicContact CG-CZ 4.19Å |
| 66 | T | 87.9 | Confident | 81.4 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 53% | 0.534 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.6 | 172.8 | -62.1 | 0 | 0 | 0 | 0 | 107.9 | T53 L55 | T53-T66 HydrophobicContact CG2-CG2 3.28Å; L55-T66 HydrophobicContact CD2-CG2 3.89Å; L55-T66 WeakPolarHBondContact CD2-OG1 3.46Å |
| 67 | F | 90.9 | Very high | 81.3 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.1 | -178.4 | -58.9 | -72.4 | 0 | 0 | 0 | 110.8 | D8 Y9 T53 Y54 K65 V69 M183 | D8-F67 HydrophobicContact CB-CB 4.44Å; D8-F67 HydrophobicContact CB-CD1 4.26Å; D8-F67 WeakPolarHBondContact OD2-CA 3.26Å; Y9-F67 HydrophobicContact CD2-CB 4.09Å; Y9-F67 HydrophobicContact CD2-CD1 4.2Å; Y9-F67 HydrophobicContact CD2-CG 4.23Å; Y9-F67 HydrophobicContact CE2-CB 4.19Å; Y9-F67 AromaticContact CE2-CD1 3.51Å; Y9-F67 HydrophobicContact CE2-CD1 3.51Å; Y9-F67 HydrophobicContact CE2-CD2 4.45Å; Y9-F67 AromaticContact CE2-CE1 3.81Å; Y9-F67 HydrophobicContact CE2-CE1 3.81Å; Y9-F67 AromaticContact CE2-CG 3.82Å; Y9-F67 HydrophobicContact CE2-CG 3.82Å; Y9-F67 HydrophobicContact CE2-CZ 4.38Å; T53-F67 CarbonylContact C-O 3.44Å; T53-F67 WeakPolarHBondContact CA-O 3.43Å; Y54-F67 HydrophobicContact CD1-CD2 4.02Å; Y54-F67 PolarHBondContact N-O 3.21Å; Y54-F67 PolarHBondContact O-N 2.98Å; K65-F67 HydrophobicContact CB-CD2 4.27Å; K65-F67 HydrophobicContact CB-CE1 4.21Å; K65-F67 HydrophobicContact CB-CE2 3.57Å; K65-F67 HydrophobicContact CB-CZ 3.55Å; K65-F67 HydrophobicContact CD-CE1 4.27Å; K65-F67 HydrophobicContact CD-CE2 4.35Å; K65-F67 HydrophobicContact CD-CZ 3.61Å; K65-F67 HydrophobicContact CG-CZ 4.19Å; F67-V69 HydrophobicContact CB-CG2 4.49Å; F67-M183 HydrophobicContact CB-CE 4.4Å; F67-M183 HydrophobicContact CD2-CE 4.16Å; F67-M183 HydrophobicContact CG-CE 4.41Å |
| 68 | K | 93.8 | Very high | 80.8 | Confident | 123 Ų | 123 | 52.8 Ų | 52.8 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 113.5 | 168.9 | -65.6 | 175.6 | -174.9 | 168 | 0 | 108.5 | D8 Y9 | D8-K68 PolarHBondContact N-O 3.04Å; D8-K68 PolarHBondContact OD2-N 3.4Å; Y9-K68 PolarHBondContact N-O 3.24Å |
| 69 | V | 95.3 | Very high | 80.5 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.9 | -179.4 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | Y9 I11 R51 V52 F67 L71 L179 M183 | Y9-V69 WeakPolarHBondContact O-CA 3.35Å; I11-V69 HydrophobicContact CB-CG1 4.04Å; I11-V69 HydrophobicContact CG1-CG1 3.6Å; R51-V69 WeakPolarHBondContact CA-O 3.45Å; V52-V69 HydrophobicContact CG2-CB 3.83Å; V52-V69 HydrophobicContact CG2-CG1 4.28Å; V52-V69 PolarHBondContact N-O 3.04Å; V52-V69 PolarHBondContact O-N 2.81Å; F67-V69 HydrophobicContact CB-CG2 4.49Å; V69-L71 HydrophobicContact CG1-CD2 3.8Å; V69-L71 HydrophobicContact CG1-CG 4.2Å; V69-L179 HydrophobicContact CG1-CD1 4.1Å; V69-M183 HydrophobicContact CG2-CE 4.33Å; V69-M183 HydrophobicContact CG2-SD 4.33Å |
| 70 | H | 96 | Very high | 80.3 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 107.3 | 166 | -167.2 | 173.3 | 0 | 0 | 0 | 108.4 | Y7 Y9 L10 I11 E49 | Y7-H70 HydrophobicContact CD1-CB 3.99Å; Y7-H70 AromaticContact CD1-ND1 3.83Å; Y7-H70 HydrophobicContact CD2-CB 4.03Å; Y7-H70 HydrophobicContact CE1-CB 4.43Å; Y7-H70 AromaticContact CE1-ND1 3.73Å; Y7-H70 HydrophobicContact CE2-CB 4.49Å; Y7-H70 HydrophobicContact CG-CB 3.77Å; Y9-H70 PolarHBondContact O-N 3.18Å; L10-H70 WeakPolarHBondContact CA-O 3.44Å; L10-H70 HydrophobicContact CD1-CB 4.04Å; L10-H70 WeakPolarHBondContact CD1-O 3.44Å; I11-H70 PolarHBondContact N-O 3.17Å; E49-H70 VanDerWaalsContact CD-NE2 3.28Å; E49-H70 IonicContact OE1-CE1 2.95Å; E49-H70 IonicContact OE1-NE2 3.97Å; E49-H70 PolarHBondContact OE1-NE2 2.72Å; E49-H70 IonicContact OE2-CE1 3.43Å; E49-H70 IonicContact OE2-NE2 2.89Å |
| 71 | L | 96.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.7 | 175.2 | -62.9 | 175 | 0 | 0 | 0 | 110.2 | I11 L13 Y30 E49 K50 V52 V69 L73 V175 L179 | I11-L71 HydrophobicContact CB-CD2 4Å; I11-L71 HydrophobicContact CG2-CD2 4.16Å; I11-L71 WeakPolarHBondContact O-CA 3.45Å; L13-L71 HydrophobicContact CD1-CD2 4.2Å; Y30-L71 HydrophobicContact CE1-CD1 3.88Å; Y30-L71 WeakPolarHBondContact OH-CD1 3.46Å; E49-L71 VanDerWaalsContact CA-O 3.23Å; E49-L71 WeakPolarHBondContact CA-O 3.27Å; K50-L71 PolarHBondContact N-O 3.03Å; K50-L71 VanDerWaalsContact O-CB 3.28Å; K50-L71 WeakPolarHBondContact O-CB 3.38Å; K50-L71 PolarHBondContact O-N 2.76Å; V52-L71 HydrophobicContact CG1-CD1 3.9Å; V52-L71 HydrophobicContact CG2-CD1 3.86Å; V52-L71 HydrophobicContact CG2-CG 4Å; V69-L71 HydrophobicContact CG1-CD2 3.8Å; V69-L71 HydrophobicContact CG1-CG 4.2Å; L71-L73 HydrophobicContact CB-CD2 4.46Å; L71-L73 HydrophobicContact CB-CG 4.35Å; L71-V175 HydrophobicContact CD1-CG1 4.36Å; L71-L179 HydrophobicContact CD2-CD1 4Å; L71-L179 HydrophobicContact CD2-CD2 4.35Å |
| 72 | Q | 95.8 | Very high | 79.8 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 113.4 | 161.8 | -79.2 | -177.1 | -12.5 | 0 | 0 | 109 | L10 I11 K12 L13 E49 | L10-Q72 HydrophobicContact CD1-CG 3.87Å; I11-Q72 PolarHBondContact O-N 3.34Å; K12-Q72 CarbonylContact C-O 3.6Å; K12-Q72 WeakPolarHBondContact CA-O 3.41Å; K12-Q72 HydrophobicContact CG-CB 4.16Å; L13-Q72 PolarHBondContact N-O 3.06Å; E49-Q72 HydrophobicContact CG-CG 3.98Å; E49-Q72 PolarHBondContact OE1-NE2 3.45Å |
| 73 | L | 94.6 | Very high | 79.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 103.7 | -175.3 | -58.3 | 163.7 | 0 | 0 | 0 | 108.7 | L13 L27 Y30 T31 F47 R48 L71 V175 | L13-L73 HydrophobicContact CB-CD2 4.1Å; L13-L73 HydrophobicContact CD1-CD2 4.01Å; L13-L73 HydrophobicContact CG-CD2 4.45Å; L13-L73 WeakPolarHBondContact O-CA 3.25Å; L27-L73 HydrophobicContact CD1-CB 4.32Å; L27-L73 HydrophobicContact CD2-CB 3.91Å; L27-L73 HydrophobicContact CD2-CD1 4.34Å; L27-L73 HydrophobicContact CD2-CD2 4.39Å; L27-L73 HydrophobicContact CD2-CG 4.45Å; Y30-L73 HydrophobicContact CD1-CD1 3.52Å; Y30-L73 HydrophobicContact CE1-CD1 3.82Å; T31-L73 HydrophobicContact CG2-CD1 3.51Å; F47-L73 CarbonylContact C-O 3.6Å; F47-L73 VanDerWaalsContact CA-O 3.24Å; F47-L73 WeakPolarHBondContact CA-O 3.42Å; R48-L73 PolarHBondContact N-O 3.37Å; R48-L73 WeakPolarHBondContact O-CB 3.34Å; R48-L73 PolarHBondContact O-N 3.3Å; L71-L73 HydrophobicContact CB-CD2 4.46Å; L71-L73 HydrophobicContact CB-CG 4.35Å; L73-V175 HydrophobicContact CD2-CG1 4.44Å |
| 74 | W | 92.5 | Very high | 79.2 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.3 | -175.8 | -67.7 | 81.4 | 0 | 0 | 0 | 110.5 | L13 L14 S15 I45 F47 F89 | L13-W74 PolarHBondContact O-N 3.34Å; L14-W74 HydrophobicContact CD1-CB 3.26Å; L14-W74 HydrophobicContact CD1-CG 4.25Å; L14-W74 HydrophobicContact CG-CB 4.47Å; S15-W74 PolarHBondContact N-O 3.47Å; S15-W74 PolarHBondContact OG-O 3.09Å; I45-W74 HydrophobicContact CG2-CE3 3.58Å; I45-W74 HydrophobicContact CG2-CZ3 3.95Å; F47-W74 HydrophobicContact CB-CD2 3.93Å; F47-W74 HydrophobicContact CB-CE3 4.01Å; F47-W74 HydrophobicContact CB-CG 4.23Å; F47-W74 HydrophobicContact CB-CZ3 4.46Å; F47-W74 HydrophobicContact CD1-CH2 4.33Å; F47-W74 HydrophobicContact CD1-CZ3 4.27Å; W74-F89 HydrophobicContact CD2-CD1 4.41Å; W74-F89 AromaticContact CE3-CD1 3.84Å; W74-F89 HydrophobicContact CE3-CD1 3.84Å; W74-F89 AromaticContact CE3-CE1 3.85Å; W74-F89 HydrophobicContact CE3-CE1 3.85Å; W74-F89 HydrophobicContact CH2-CD1 4.3Å; W74-F89 AromaticContact CH2-CE1 3.86Å; W74-F89 HydrophobicContact CH2-CE1 3.86Å; W74-F89 AromaticContact CZ3-CD1 3.78Å; W74-F89 HydrophobicContact CZ3-CD1 3.78Å; W74-F89 AromaticContact CZ3-CE1 3.34Å; W74-F89 HydrophobicContact CZ3-CE1 3.34Å; W74-F89 HydrophobicContact CZ3-CZ 4.35Å |
| 75 | D | 89.6 | Confident | 78.8 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.6 | 172.9 | -168.8 | 28.3 | 0 | 0 | 0 | 109.6 | K23 T24 L27 T42 I45 D46 | K23-D75 WeakPolarHBondContact CB-OD1 3.37Å; T24-D75 VanDerWaalsContact CB-OD2 3.27Å; T24-D75 WeakPolarHBondContact CB-OD2 3.33Å; T24-D75 WeakPolarHBondContact CG2-OD2 3.11Å; T24-D75 PolarHBondContact N-OD1 3.4Å; T24-D75 PolarHBondContact OG1-OD1 2.77Å; T24-D75 PolarHBondContact OG1-OD2 3.28Å; L27-D75 HydrophobicContact CD1-CB 3.79Å; T42-D75 PolarHBondContact OG1-OD2 3.05Å; I45-D75 WeakPolarHBondContact CA-O 3.49Å; D46-D75 HydrophobicContact CB-CB 4.44Å; D46-D75 PolarHBondContact N-O 2.93Å; D46-D75 VanDerWaalsContact N-O 3.07Å; D46-D75 PolarHBondContact O-N 3.08Å |
| 76 | T | 84 | Confident | 78.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 142.7 | 177.7 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | L14 S15 L16 K23 G78 T86 | L14-T76 HydrophobicContact CD1-CG2 3.38Å; L14-T76 HydrophobicContact CD2-CG2 4.37Å; L14-T76 HydrophobicContact CG-CG2 3.98Å; S15-T76 WeakPolarHBondContact O-CG2 3.16Å; S15-T76 PolarHBondContact O-OG1 2.98Å; L16-T76 HydrophobicContact CD2-CG2 3.91Å; K23-T76 WeakPolarHBondContact CE-O 3.44Å; T76-G78 PolarHBondContact O-N 3.44Å; T76-G78 VanDerWaalsContact O-N 3.17Å; T76-T86 HydrophobicContact CG2-CG2 4.24Å |
| 77 | A | 76.9 | Confident | 77.2 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 120.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T42 G44 Q79 F82 | T42-A77 WeakPolarHBondContact O-CB 3.29Å; G44-A77 WeakPolarHBondContact O-CB 3.49Å; G44-A77 PolarHBondContact O-N 3Å; A77-Q79 PolarHBondContact O-N 3.15Å; A77-F82 HydrophobicContact CB-CB 4.36Å; A77-F82 HydrophobicContact CB-CD2 3.79Å; A77-F82 HydrophobicContact CB-CE2 4.5Å; A77-F82 HydrophobicContact CB-CG 4.32Å |
| 78 | G | 63.6 | Low | 76.2 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | trans | -75.2 | 12.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G17 D18 S19 K23 T76 | G17-G78 VanDerWaalsContact O-CA 3.31Å; G17-G78 WeakPolarHBondContact O-CA 3.28Å; D18-G78 CarbonylContact C-O 3.57Å; S19-G78 PolarHBondContact N-O 3.06Å; K23-G78 VanDerWaalsContact NZ-CA 3.32Å; T76-G78 PolarHBondContact O-N 3.44Å; T76-G78 VanDerWaalsContact O-N 3.17Å | ||
| 79 | Q | 60.6 | Low | 75.1 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | trans | -87.4 | 129.2 | -179.3 | -130.5 | -172.9 | 15.3 | 0 | 0 | 110 | A77 R81 F82 | A77-Q79 PolarHBondContact O-N 3.15Å; Q79-R81 PolarHBondContact O-N 3.02Å; Q79-R81 VanDerWaalsContact OE1-NE 3.15Å; Q79-F82 HydrophobicContact CB-CD2 3.82Å; Q79-F82 HydrophobicContact CB-CE2 4.24Å; Q79-F82 PolarHBondContact O-N 3.28Å | ||
| 80 | E | 56.6 | Low | 74.3 | Confident | 117 Ų | 117 | 44.8 Ų | 44.8 | 55% | 0.547 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -52.1 | -29.1 | 178.5 | 63.7 | -66.8 | 151.2 | 0 | 0 | 113.5 | F82 R83 | E80-F82 PolarHBondContact O-N 2.91Å; E80-R83 WeakPolarHBondContact O-CB 3.39Å; E80-R83 WeakPolarHBondContact O-CG 3.32Å; E80-R83 PolarHBondContact O-N 2.78Å |
| 81 | R | 56.6 | Low | 73.3 | Confident | 174 Ų | 174 | 51.6 Ų | 51.6 | 66% | 0.657 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -66.7 | -17.5 | 177.2 | -59.5 | -172.7 | -62.2 | 174.5 | 2.3 | 114.2 | Q79 | Q79-R81 PolarHBondContact O-N 3.02Å; Q79-R81 VanDerWaalsContact OE1-NE 3.15Å |
| 82 | F | 59.4 | Low | 72.6 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -106.4 | 11.3 | 179 | -60.1 | -68.3 | 0 | 0 | 0 | 113.3 | A77 Q79 E80 S84 L85 T86 | A77-F82 HydrophobicContact CB-CB 4.36Å; A77-F82 HydrophobicContact CB-CD2 3.79Å; A77-F82 HydrophobicContact CB-CE2 4.5Å; A77-F82 HydrophobicContact CB-CG 4.32Å; Q79-F82 HydrophobicContact CB-CD2 3.82Å; Q79-F82 HydrophobicContact CB-CE2 4.24Å; Q79-F82 PolarHBondContact O-N 3.28Å; E80-F82 PolarHBondContact O-N 2.91Å; F82-S84 VanDerWaalsContact C-N 3.31Å; F82-S84 PolarHBondContact O-N 2.92Å; F82-L85 WeakPolarHBondContact O-CB 3.41Å; F82-L85 PolarHBondContact O-N 3.39Å; F82-L85 VanDerWaalsContact O-N 3.14Å; F82-T86 PolarHBondContact O-N 2.94Å; F82-T86 VanDerWaalsContact O-N 3.12Å; F82-T86 PolarHBondContact O-OG1 2.96Å |
| 83 | R | 61.4 | Low | 72.3 | Confident | 83 Ų | 83 | 55.8 Ų | 55.8 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.4 | -39.8 | 179.9 | -88.8 | -174.7 | 143.8 | 144.3 | 16 | 113.9 | E80 L85 T86 T87 | E80-R83 WeakPolarHBondContact O-CB 3.39Å; E80-R83 WeakPolarHBondContact O-CG 3.32Å; E80-R83 PolarHBondContact O-N 2.78Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.49Å; R83-T86 WeakPolarHBondContact O-CB 3.41Å; R83-T86 PolarHBondContact O-N 3.47Å; R83-T86 VanDerWaalsContact O-N 3.16Å; R83-T87 PolarHBondContact O-N 2.96Å; R83-T87 PolarHBondContact O-OG1 3.2Å |
| 84 | S | 61.2 | Low | 72.2 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 72% | 0.72 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.3 | -35.5 | 178.4 | 48.9 | 0 | 0 | 0 | 0 | 113 | F82 T86 | F82-S84 VanDerWaalsContact C-N 3.31Å; F82-S84 PolarHBondContact O-N 2.92Å; S84-T86 VanDerWaalsContact C-N 3.3Å |
| 85 | L | 61.2 | Low | 72.3 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 42% | 0.424 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.3 | -34.6 | 174.2 | -172.2 | 65.6 | 0 | 0 | 0 | 111 | I45 F82 R83 F89 | I45-L85 HydrophobicContact CD1-CD2 4.06Å; I45-L85 HydrophobicContact CD1-CG 3.92Å; I45-L85 HydrophobicContact CG1-CD2 4.33Å; F82-L85 WeakPolarHBondContact O-CB 3.41Å; F82-L85 PolarHBondContact O-N 3.39Å; F82-L85 VanDerWaalsContact O-N 3.14Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.49Å; L85-F89 HydrophobicContact CD1-CE2 4.49Å; L85-F89 HydrophobicContact CG-CE2 4.4Å; L85-F89 WeakPolarHBondContact O-CD2 3.37Å |
| 86 | T | 65.9 | Low | 72.6 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.3 | -34.3 | -176.3 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | L16 T76 F82 R83 S84 A88 F89 F90 | L16-T86 HydrophobicContact CD2-CG2 3.9Å; T76-T86 HydrophobicContact CG2-CG2 4.24Å; F82-T86 PolarHBondContact O-N 2.94Å; F82-T86 VanDerWaalsContact O-N 3.12Å; F82-T86 PolarHBondContact O-OG1 2.96Å; R83-T86 WeakPolarHBondContact O-CB 3.41Å; R83-T86 PolarHBondContact O-N 3.47Å; R83-T86 VanDerWaalsContact O-N 3.16Å; S84-T86 VanDerWaalsContact C-N 3.3Å; T86-A88 VanDerWaalsContact C-N 3.3Å; T86-A88 PolarHBondContact O-N 3.09Å; T86-F89 PolarHBondContact O-N 3.49Å; T86-F89 VanDerWaalsContact O-N 3.17Å; T86-F90 HydrophobicContact CG2-CD1 4.2Å; T86-F90 HydrophobicContact CG2-CE1 3.27Å; T86-F90 HydrophobicContact CG2-CZ 3.66Å; T86-F90 WeakPolarHBondContact O-CD1 3.41Å |
| 87 | T | 68.9 | Low | 73.2 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 24% | 0.239 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -32.9 | -179.7 | -48.2 | 0 | 0 | 0 | 0 | 113.8 | R83 F89 F90 N121 | R83-T87 PolarHBondContact O-N 2.96Å; R83-T87 PolarHBondContact O-OG1 3.2Å; T87-F89 VanDerWaalsContact C-N 3.28Å; T87-F89 PolarHBondContact O-N 2.71Å; T87-F90 PolarHBondContact O-N 3.33Å; T87-N121 HydrophobicContact CG2-CB 3.82Å; T87-N121 WeakPolarHBondContact CG2-OD1 3.44Å |
| 88 | A | 69.8 | Low | 74.2 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 50% | 0.504 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | T86 F90 | T86-A88 VanDerWaalsContact C-N 3.3Å; T86-A88 PolarHBondContact O-N 3.09Å; A88-F90 VanDerWaalsContact C-N 3.33Å; A88-F90 PolarHBondContact O-N 3.48Å |
| 89 | F | 71.4 | Confident | 75.8 | Confident | 51 Ų | 51 | 54.8 Ų | 54.8 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79.2 | -15.7 | -178.6 | -65.9 | -90.8 | 0 | 0 | 0 | 113.3 | L14 I45 W74 L85 T86 T87 R91 D92 A93 | L14-F89 HydrophobicContact CD2-CB 4.37Å; I45-F89 HydrophobicContact CD1-CD2 3.24Å; I45-F89 HydrophobicContact CD1-CE1 4.41Å; I45-F89 HydrophobicContact CD1-CE2 3.11Å; I45-F89 HydrophobicContact CD1-CG 3.99Å; I45-F89 HydrophobicContact CD1-CZ 3.74Å; I45-F89 HydrophobicContact CG1-CE2 4.48Å; I45-F89 HydrophobicContact CG2-CE1 4.39Å; I45-F89 HydrophobicContact CG2-CZ 4.43Å; W74-F89 HydrophobicContact CD2-CD1 4.41Å; W74-F89 AromaticContact CE3-CD1 3.84Å; W74-F89 HydrophobicContact CE3-CD1 3.84Å; W74-F89 AromaticContact CE3-CE1 3.85Å; W74-F89 HydrophobicContact CE3-CE1 3.85Å; W74-F89 HydrophobicContact CH2-CD1 4.3Å; W74-F89 AromaticContact CH2-CE1 3.86Å; W74-F89 HydrophobicContact CH2-CE1 3.86Å; W74-F89 AromaticContact CZ3-CD1 3.78Å; W74-F89 HydrophobicContact CZ3-CD1 3.78Å; W74-F89 AromaticContact CZ3-CE1 3.34Å; W74-F89 HydrophobicContact CZ3-CE1 3.34Å; W74-F89 HydrophobicContact CZ3-CZ 4.35Å; L85-F89 HydrophobicContact CD1-CE2 4.49Å; L85-F89 HydrophobicContact CG-CE2 4.4Å; L85-F89 WeakPolarHBondContact O-CD2 3.37Å; T86-F89 PolarHBondContact O-N 3.49Å; T86-F89 VanDerWaalsContact O-N 3.17Å; T87-F89 VanDerWaalsContact C-N 3.28Å; T87-F89 PolarHBondContact O-N 2.71Å; F89-R91 PolarHBondContact O-N 2.88Å; F89-D92 PolarHBondContact O-N 3.44Å; F89-A93 WeakPolarHBondContact O-CB 3.25Å; F89-A93 PolarHBondContact O-N 3.28Å; F89-A93 VanDerWaalsContact O-N 3.15Å |
| 90 | F | 76.9 | Confident | 77.6 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.5 | -28.1 | 177.8 | -70.9 | 6.7 | 0 | 0 | 0 | 112.2 | L14 L16 T86 T87 A88 F96 Q117 L118 N121 | L14-F90 HydrophobicContact CD2-CD1 3.51Å; L14-F90 HydrophobicContact CD2-CE1 3.71Å; L16-F90 HydrophobicContact CD1-CD1 4.48Å; L16-F90 HydrophobicContact CD1-CE1 3.67Å; L16-F90 HydrophobicContact CD1-CZ 3.81Å; L16-F90 HydrophobicContact CD2-CE1 3.56Å; L16-F90 HydrophobicContact CD2-CZ 4.03Å; L16-F90 HydrophobicContact CG-CE1 4.26Å; T86-F90 HydrophobicContact CG2-CD1 4.2Å; T86-F90 HydrophobicContact CG2-CE1 3.27Å; T86-F90 HydrophobicContact CG2-CZ 3.66Å; T86-F90 WeakPolarHBondContact O-CD1 3.41Å; T87-F90 PolarHBondContact O-N 3.33Å; A88-F90 VanDerWaalsContact C-N 3.33Å; A88-F90 PolarHBondContact O-N 3.48Å; F90-F96 HydrophobicContact CD1-CE1 4.24Å; F90-F96 HydrophobicContact CG-CE1 4.48Å; F90-Q117 HydrophobicContact CE2-CB 4.3Å; F90-L118 HydrophobicContact CD2-CD2 4.2Å; F90-L118 HydrophobicContact CE2-CD2 4.2Å; F90-L118 HydrophobicContact CG-CD2 4.48Å; F90-L118 HydrophobicContact CZ-CD2 4.41Å; F90-N121 HydrophobicContact CD2-CB 3.87Å |
| 91 | R | 75.8 | Confident | 79.6 | Confident | 163 Ų | 163 | 47.2 Ų | 47.2 | 62% | 0.615 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -29.4 | 179.6 | -62.1 | -175.2 | -164.7 | 169.9 | 4.2 | 112.9 | F89 Y123 | F89-R91 PolarHBondContact O-N 2.88Å; R91-Y123 WeakPolarHBondContact O-CB 3.44Å |
| 92 | D | 81.8 | Confident | 81.6 | Confident | 103 Ų | 103 | 39 Ų | 39 | 55% | 0.551 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -10.4 | -177.7 | -68 | -14.1 | 0 | 0 | 0 | 112.8 | K12 F89 | K12-D92 WeakPolarHBondContact CD-O 3.25Å; F89-D92 PolarHBondContact O-N 3.44Å |
| 93 | A | 89.4 | Confident | 83.5 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | trans | -81.8 | 134.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L14 F89 F96 | L14-A93 HydrophobicContact CB-CB 3.77Å; L14-A93 HydrophobicContact CD2-CB 4.29Å; F89-A93 WeakPolarHBondContact O-CB 3.25Å; F89-A93 PolarHBondContact O-N 3.28Å; F89-A93 VanDerWaalsContact O-N 3.15Å; A93-F96 HydrophobicContact CB-CD1 4.33Å; A93-F96 HydrophobicContact CB-CE1 3.58Å; A93-F96 HydrophobicContact CB-CZ 3.68Å | ||
| 94 | M | 92.5 | Very high | 85.2 | Confident | 42 Ų | 42 | 37 Ų | 37 | 21% | 0.207 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -92.8 | -29.3 | -179.1 | -57.4 | 174.6 | 75.6 | 0 | 0 | 111.6 | I11 K12 V182 R185 M186 | I11-M94 HydrophobicContact CB-SD 4.46Å; I11-M94 HydrophobicContact CD1-CE 3.61Å; I11-M94 HydrophobicContact CD1-SD 3.87Å; I11-M94 HydrophobicContact CG2-SD 4.32Å; K12-M94 WeakPolarHBondContact O-CB 3.47Å; K12-M94 PolarHBondContact O-N 3.25Å; M94-V182 HydrophobicContact CB-CG1 3.89Å; M94-V182 HydrophobicContact CE-CG1 4.06Å; M94-R185 PolarHBondContact O-NH1 3.46Å; M94-R185 PolarHBondContact O-NH2 3.29Å; M94-M186 HydrophobicContact CE-CE 3.75Å; M94-M186 HydrophobicContact CE-CG 4.15Å; M94-M186 HydrophobicContact CE-SD 3.25Å; M94-M186 WeakPolarHBondContact CE-SD 3.36Å |
| 95 | G | 95.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L13 L14 D128 | L13-G95 WeakPolarHBondContact CA-O 3.48Å; L14-G95 PolarHBondContact N-O 3.32Å; G95-D128 CarbonylContact C-O 3.53Å; G95-D128 VanDerWaalsContact CA-O 3.29Å; G95-D128 WeakPolarHBondContact CA-O 3.23Å |
| 96 | F | 95.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.4 | -172.9 | -54.6 | -91.3 | 0 | 0 | 0 | 112.4 | L14 L16 F90 A93 L118 A122 P127 D128 I129 V130 | L14-F96 HydrophobicContact CB-CD1 3.86Å; L14-F96 HydrophobicContact CB-CE1 4.15Å; L14-F96 HydrophobicContact CD2-CD1 4.02Å; L14-F96 HydrophobicContact CD2-CE1 3.8Å; L14-F96 HydrophobicContact CG-CD1 4.39Å; L14-F96 CarbonylContact O-C 3.53Å; L14-F96 VanDerWaalsContact O-CA 3.3Å; L14-F96 WeakPolarHBondContact O-CA 3.48Å; L16-F96 HydrophobicContact CD1-CD1 3.65Å; L16-F96 HydrophobicContact CD1-CE1 4.28Å; L16-F96 HydrophobicContact CD1-CG 4.46Å; L16-F96 HydrophobicContact CG-CD1 4.47Å; F90-F96 HydrophobicContact CD1-CE1 4.24Å; F90-F96 HydrophobicContact CG-CE1 4.48Å; A93-F96 HydrophobicContact CB-CD1 4.33Å; A93-F96 HydrophobicContact CB-CE1 3.58Å; A93-F96 HydrophobicContact CB-CZ 3.68Å; F96-L118 HydrophobicContact CB-CD1 4.37Å; F96-L118 HydrophobicContact CD1-CD2 3.4Å; F96-L118 VanDerWaalsContact CD1-CD2 3.4Å; F96-L118 HydrophobicContact CD2-CD2 3.99Å; F96-L118 HydrophobicContact CE1-CD2 3.4Å; F96-L118 HydrophobicContact CE2-CD2 4.01Å; F96-L118 HydrophobicContact CG-CD1 4.38Å; F96-L118 HydrophobicContact CG-CD2 3.7Å; F96-L118 HydrophobicContact CZ-CD2 3.72Å; F96-A122 HydrophobicContact CE2-CB 4.44Å; F96-A122 HydrophobicContact CZ-CB 4.44Å; F96-P127 HydrophobicContact CD2-CB 3.8Å; F96-P127 HydrophobicContact CE2-CB 3.53Å; F96-P127 HydrophobicContact CE2-CG 4.49Å; F96-D128 PolarHBondContact N-O 3.23Å; F96-I129 HydrophobicContact CB-CG1 4.21Å; F96-I129 HydrophobicContact CD2-CG1 4.29Å; F96-I129 WeakPolarHBondContact O-CA 3.36Å; F96-V130 PolarHBondContact O-N 3.4Å |
| 97 | L | 97.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 102.4 | 164.5 | -66 | 165.7 | 0 | 0 | 0 | 107.4 | L14 S15 L16 F26 L27 M99 V130 V132 V175 L178 | L14-L97 PolarHBondContact O-N 2.89Å; S15-L97 WeakPolarHBondContact CA-O 3.43Å; L16-L97 PolarHBondContact N-O 3.04Å; F26-L97 HydrophobicContact CD1-CD1 4.43Å; F26-L97 HydrophobicContact CE1-CD1 3.82Å; L27-L97 HydrophobicContact CD2-CD1 4.36Å; L97-M99 HydrophobicContact CB-CG 4.27Å; L97-M99 HydrophobicContact CB-SD 4.41Å; L97-V130 HydrophobicContact CD2-CB 4.35Å; L97-V132 HydrophobicContact CD2-CG2 4.17Å; L97-V175 HydrophobicContact CD1-CG2 4.26Å; L97-L178 HydrophobicContact CD2-CD2 3.78Å; L97-L178 HydrophobicContact CG-CD2 3.7Å |
| 98 | L | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 110.4 | 178.6 | -178.7 | 53.9 | 0 | 0 | 0 | 109.5 | L16 V111 W114 L118 I129 V130 L131 V132 | L16-L98 HydrophobicContact CB-CD1 4.17Å; L98-V111 HydrophobicContact CD2-CG1 3.79Å; L98-V111 HydrophobicContact CG-CG1 4.29Å; L98-W114 HydrophobicContact CD1-CB 3.51Å; L98-W114 HydrophobicContact CD1-CG 4.01Å; L98-W114 HydrophobicContact CD2-CB 4.37Å; L98-L118 HydrophobicContact CD2-CD1 4.45Å; L98-I129 HydrophobicContact CB-CG2 3.99Å; L98-V130 PolarHBondContact N-O 3.43Å; L98-L131 HydrophobicContact CB-CD1 4.47Å; L98-L131 HydrophobicContact CD2-CD1 4.45Å; L98-L131 HydrophobicContact CG-CD1 4.21Å; L98-L131 CarbonylContact O-C 3.57Å; L98-L131 WeakPolarHBondContact O-CA 3.06Å; L98-V132 PolarHBondContact O-N 3.36Å |
| 99 | M | 97.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139.4 | -164.4 | -49.7 | -174.3 | 64.5 | 0 | 0 | 112 | L16 G17 V21 K23 F26 L97 V132 T134 | L16-M99 WeakPolarHBondContact O-CB 3.47Å; L16-M99 PolarHBondContact O-N 3.14Å; G17-M99 WeakPolarHBondContact CA-O 3.31Å; V21-M99 HydrophobicContact CG2-CB 4.12Å; K23-M99 HydrophobicContact CB-SD 4.17Å; K23-M99 HydrophobicContact CG-CB 4.39Å; K23-M99 HydrophobicContact CG-CG 4.46Å; K23-M99 HydrophobicContact CG-SD 3.8Å; F26-M99 HydrophobicContact CB-CE 3.61Å; F26-M99 HydrophobicContact CD1-CE 4.12Å; F26-M99 HydrophobicContact CD1-SD 4.48Å; F26-M99 HydrophobicContact CD2-CE 3.72Å; F26-M99 HydrophobicContact CE2-CE 4.43Å; F26-M99 HydrophobicContact CG-CE 3.55Å; F26-M99 HydrophobicContact CG-SD 4.43Å; L97-M99 HydrophobicContact CB-CG 4.27Å; L97-M99 HydrophobicContact CB-SD 4.41Å; M99-V132 WeakPolarHBondContact CA-O 3.43Å; M99-V132 HydrophobicContact CE-CG1 4.08Å; M99-V132 HydrophobicContact CG-CB 4.11Å; M99-T134 HydrophobicContact CE-CG2 3.27Å |
| 100 | F | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 167.5 | 168 | 71 | -85.7 | 0 | 0 | 0 | 110.1 | L102 F108 V111 L131 V132 T134 V144 A149 Y160 | F100-L102 HydrophobicContact CE2-CD2 3.87Å; F100-L102 HydrophobicContact CE2-CG 4.41Å; F100-L102 HydrophobicContact CZ-CD2 4.24Å; F100-F108 HydrophobicContact CB-CB 4.5Å; F100-F108 HydrophobicContact CD1-CD2 4.04Å; F100-F108 HydrophobicContact CD2-CB 3.71Å; F100-F108 AromaticContact CD2-CD2 3.76Å; F100-F108 HydrophobicContact CD2-CD2 3.76Å; F100-F108 HydrophobicContact CD2-CG 4.18Å; F100-F108 AromaticContact CE1-CD2 3.89Å; F100-F108 HydrophobicContact CE1-CD2 3.89Å; F100-F108 HydrophobicContact CE1-CE2 4.28Å; F100-F108 HydrophobicContact CE2-CB 4.16Å; F100-F108 AromaticContact CE2-CD2 3.59Å; F100-F108 HydrophobicContact CE2-CD2 3.59Å; F100-F108 HydrophobicContact CE2-CE2 4.41Å; F100-F108 HydrophobicContact CE2-CG 4.21Å; F100-F108 HydrophobicContact CG-CB 4.19Å; F100-F108 AromaticContact CG-CD2 3.98Å; F100-F108 HydrophobicContact CG-CD2 3.98Å; F100-F108 AromaticContact CZ-CD2 3.66Å; F100-F108 HydrophobicContact CZ-CD2 3.66Å; F100-F108 HydrophobicContact CZ-CE2 4.09Å; F100-V111 HydrophobicContact CB-CG2 3.87Å; F100-V111 HydrophobicContact CD1-CG2 3.99Å; F100-V111 HydrophobicContact CG-CG2 4.17Å; F100-L131 HydrophobicContact CD1-CD1 4.02Å; F100-L131 HydrophobicContact CD1-CG 4.38Å; F100-L131 HydrophobicContact CE1-CD1 4.12Å; F100-L131 HydrophobicContact CE1-CD2 4.18Å; F100-L131 HydrophobicContact CE1-CG 3.99Å; F100-V132 WeakPolarHBondContact CD1-O 3.46Å; F100-V132 PolarHBondContact N-O 3.34Å; F100-T134 PolarHBondContact O-N 3.25Å; F100-T134 PolarHBondContact O-OG1 2.86Å; F100-V144 HydrophobicContact CD2-CG2 4.36Å; F100-V144 HydrophobicContact CE2-CB 4.11Å; F100-V144 HydrophobicContact CE2-CG1 3.79Å; F100-V144 HydrophobicContact CE2-CG2 4.18Å; F100-V144 HydrophobicContact CZ-CG1 4.42Å; F100-A149 HydrophobicContact CE1-CB 4.43Å; F100-A149 HydrophobicContact CZ-CB 3.7Å; F100-Y160 AromaticContact CE1-CE2 3.85Å; F100-Y160 HydrophobicContact CE1-CE2 3.85Å; F100-Y160 AromaticContact CZ-CE2 3.88Å; F100-Y160 HydrophobicContact CZ-CE2 3.88Å |
| 101 | D | 98.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.1 | -179.5 | 178.4 | 1.4 | 0 | 0 | 0 | 110.4 | V21 T103 N104 S107 T134 K135 | V21-D101 HydrophobicContact CB-CB 4.21Å; V21-D101 HydrophobicContact CG1-CB 4.16Å; D101-T103 PolarHBondContact O-N 3.32Å; D101-T103 PolarHBondContact OD1-N 3.13Å; D101-T103 PolarHBondContact OD1-OG1 3.49Å; D101-T103 PolarHBondContact OD2-OG1 3.3Å; D101-N104 HydrophobicContact CB-CB 4.01Å; D101-N104 PolarHBondContact O-N 3.34Å; D101-S107 PolarHBondContact N-OG 2.67Å; D101-S107 PolarHBondContact O-OG 3.06Å; D101-T134 WeakPolarHBondContact CA-OG1 3.41Å; D101-K135 WeakPolarHBondContact OD1-CD 3.42Å; D101-K135 IonicContact OD1-NZ 2.72Å; D101-K135 VanDerWaalsContact OD2-CE 3.29Å; D101-K135 WeakPolarHBondContact OD2-CE 3.41Å; D101-K135 IonicContact OD2-NZ 2.77Å; D101-K135 PolarHBondContact OD2-NZ 2.89Å |
| 102 | L | 98.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.1 | 178.9 | -73.2 | 167.3 | 0 | 0 | 0 | 112.9 | F100 T134 A136 D143 V144 E162 | F100-L102 HydrophobicContact CE2-CD2 3.87Å; F100-L102 HydrophobicContact CE2-CG 4.41Å; F100-L102 HydrophobicContact CZ-CD2 4.24Å; L102-T134 VanDerWaalsContact CB-O 3.25Å; L102-T134 WeakPolarHBondContact CB-O 3.21Å; L102-T134 WeakPolarHBondContact CD1-O 3.29Å; L102-T134 VanDerWaalsContact CG-O 3.31Å; L102-T134 WeakPolarHBondContact CG-O 3.48Å; L102-T134 PolarHBondContact N-O 3.47Å; L102-A136 HydrophobicContact CD1-CB 3.74Å; L102-D143 PolarHBondContact O-N 2.89Å; L102-V144 HydrophobicContact CD2-CB 4.26Å; L102-V144 PolarHBondContact O-N 2.9Å; L102-E162 HydrophobicContact CD1-CB 4.21Å; L102-E162 HydrophobicContact CD1-CG 4.06Å; L102-E162 HydrophobicContact CD2-CG 4.49Å |
| 103 | T | 98.3 | Very high | 96.2 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 22% | 0.221 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 10.2 | 176 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | D101 K135 L138 L141 | D101-T103 PolarHBondContact O-N 3.32Å; D101-T103 PolarHBondContact OD1-N 3.13Å; D101-T103 PolarHBondContact OD1-OG1 3.49Å; D101-T103 PolarHBondContact OD2-OG1 3.3Å; T103-K135 HydrophobicContact CG2-CB 4.46Å; T103-L138 HydrophobicContact CG2-CB 3.72Å; T103-L138 HydrophobicContact CG2-CD1 4.06Å; T103-L141 VanDerWaalsContact CA-O 3.3Å; T103-L141 WeakPolarHBondContact CA-O 3.48Å; T103-L141 WeakPolarHBondContact CB-O 3.37Å; T103-L141 HydrophobicContact CG2-CB 3.79Å; T103-L141 WeakPolarHBondContact CG2-O 3.49Å |
| 104 | N | 97.9 | Very high | 96.3 | Very high | 66 Ų | 66 | 30.4 Ų | 30.4 | 35% | 0.353 | 15% | 0.148 | S | C | . | . | trans | -143.4 | 99.4 | -178.2 | -179 | -22.4 | 0 | 0 | 0 | 111.4 | D101 Q106 S107 | D101-N104 HydrophobicContact CB-CB 4.01Å; D101-N104 PolarHBondContact O-N 3.34Å; N104-Q106 VanDerWaalsContact C-N 3.27Å; N104-Q106 PolarHBondContact O-N 2.67Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.42Å; N104-Q106 PolarHBondContact OD1-N 2.95Å; N104-S107 PolarHBondContact O-N 3.44Å; N104-S107 PolarHBondContact O-OG 3.39Å; N104-S107 PolarHBondContact OD1-N 2.76Å | ||
| 105 | Q | 97.9 | Very high | 96.3 | Very high | 40 Ų | 40 | 28.7 Ų | 28.7 | 19% | 0.187 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.5 | -35.4 | -180 | -174.2 | 64.7 | 27 | 0 | 0 | 113.6 | S107 F108 L109 D143 | Q105-S107 VanDerWaalsContact C-N 3.32Å; Q105-S107 PolarHBondContact O-N 3.1Å; Q105-F108 WeakPolarHBondContact O-CB 3.41Å; Q105-F108 PolarHBondContact O-N 2.93Å; Q105-L109 HydrophobicContact CG-CD1 4.4Å; Q105-L109 HydrophobicContact CG-CG 4.43Å; Q105-L109 WeakPolarHBondContact O-CG 3.36Å; Q105-L109 PolarHBondContact O-N 3.01Å; Q105-D143 WeakPolarHBondContact CB-OD2 3.3Å; Q105-D143 PolarHBondContact N-OD2 3.09Å; Q105-D143 PolarHBondContact OE1-O 3.48Å |
| 106 | Q | 97 | Very high | 96 | Very high | 104 Ų | 104 | 32.1 Ų | 32.1 | 49% | 0.486 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.4 | -39.4 | -179.1 | -174 | 59.2 | 50.9 | 0 | 0 | 111.5 | N104 F108 L109 N110 | N104-Q106 VanDerWaalsContact C-N 3.27Å; N104-Q106 PolarHBondContact O-N 2.67Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.42Å; N104-Q106 PolarHBondContact OD1-N 2.95Å; Q106-F108 PolarHBondContact O-N 2.93Å; Q106-L109 PolarHBondContact O-N 2.77Å; Q106-N110 PolarHBondContact NE2-OD1 3.1Å; Q106-N110 VanDerWaalsContact NE2-OD1 3.09Å; Q106-N110 WeakPolarHBondContact O-CB 3.32Å; Q106-N110 VanDerWaalsContact O-CG 3.3Å; Q106-N110 PolarHBondContact O-N 2.74Å; Q106-N110 PolarHBondContact O-ND2 3.43Å |
| 107 | S | 97.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -36.1 | 176.4 | 76.7 | 0 | 0 | 0 | 0 | 112 | D101 N104 Q105 N110 V111 | D101-S107 PolarHBondContact N-OG 2.67Å; D101-S107 PolarHBondContact O-OG 3.06Å; N104-S107 PolarHBondContact O-N 3.44Å; N104-S107 PolarHBondContact O-OG 3.39Å; N104-S107 PolarHBondContact OD1-N 2.76Å; Q105-S107 VanDerWaalsContact C-N 3.32Å; Q105-S107 PolarHBondContact O-N 3.1Å; S107-N110 PolarHBondContact O-N 2.97Å; S107-V111 PolarHBondContact O-N 2.83Å |
| 108 | F | 98.4 | Very high | 95 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.5 | -42.8 | 174.9 | 176.4 | -107.2 | 0 | 0 | 0 | 112.5 | F100 Q105 Q106 N110 V111 V144 Q148 A149 L152 | F100-F108 HydrophobicContact CB-CB 4.5Å; F100-F108 HydrophobicContact CD1-CD2 4.04Å; F100-F108 HydrophobicContact CD2-CB 3.71Å; F100-F108 AromaticContact CD2-CD2 3.76Å; F100-F108 HydrophobicContact CD2-CD2 3.76Å; F100-F108 HydrophobicContact CD2-CG 4.18Å; F100-F108 AromaticContact CE1-CD2 3.89Å; F100-F108 HydrophobicContact CE1-CD2 3.89Å; F100-F108 HydrophobicContact CE1-CE2 4.28Å; F100-F108 HydrophobicContact CE2-CB 4.16Å; F100-F108 AromaticContact CE2-CD2 3.59Å; F100-F108 HydrophobicContact CE2-CD2 3.59Å; F100-F108 HydrophobicContact CE2-CE2 4.41Å; F100-F108 HydrophobicContact CE2-CG 4.21Å; F100-F108 HydrophobicContact CG-CB 4.19Å; F100-F108 AromaticContact CG-CD2 3.98Å; F100-F108 HydrophobicContact CG-CD2 3.98Å; F100-F108 AromaticContact CZ-CD2 3.66Å; F100-F108 HydrophobicContact CZ-CD2 3.66Å; F100-F108 HydrophobicContact CZ-CE2 4.09Å; Q105-F108 WeakPolarHBondContact O-CB 3.41Å; Q105-F108 PolarHBondContact O-N 2.93Å; Q106-F108 PolarHBondContact O-N 2.93Å; F108-N110 PolarHBondContact O-N 2.94Å; F108-V111 HydrophobicContact CD2-CG2 4.44Å; F108-V111 WeakPolarHBondContact O-CB 3.41Å; F108-V111 VanDerWaalsContact O-CG2 3.27Å; F108-V111 WeakPolarHBondContact O-CG2 3.46Å; F108-V111 PolarHBondContact O-N 3.35Å; F108-V111 VanDerWaalsContact O-N 3.12Å; F108-V144 HydrophobicContact CB-CG1 4.17Å; F108-V144 HydrophobicContact CB-CG2 3.66Å; F108-V144 HydrophobicContact CD1-CG1 3.97Å; F108-V144 HydrophobicContact CD2-CG1 3.95Å; F108-V144 HydrophobicContact CE1-CG1 4.35Å; F108-V144 HydrophobicContact CE2-CG1 4.33Å; F108-V144 HydrophobicContact CG-CG1 3.74Å; F108-V144 HydrophobicContact CG-CG2 4.17Å; F108-Q148 HydrophobicContact CE1-CG 3.74Å; F108-Q148 HydrophobicContact CZ-CG 4.03Å; F108-A149 HydrophobicContact CE2-CB 3.85Å; F108-A149 HydrophobicContact CZ-CB 4.33Å; F108-L152 HydrophobicContact CD2-CD2 4.33Å; F108-L152 HydrophobicContact CE1-CD2 4.44Å; F108-L152 HydrophobicContact CE2-CB 4.23Å; F108-L152 HydrophobicContact CE2-CD2 3.49Å; F108-L152 VanDerWaalsContact CE2-CD2 3.49Å; F108-L152 HydrophobicContact CZ-CB 3.91Å; F108-L152 HydrophobicContact CZ-CD2 3.57Å; F108-L152 HydrophobicContact CZ-CG 4.34Å |
| 109 | L | 96.9 | Very high | 94.4 | Very high | 78 Ų | 78 | 39.4 Ų | 39.4 | 41% | 0.408 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 175.5 | -67.1 | 176.7 | 0 | 0 | 0 | 111.6 | Q105 Q106 V111 | Q105-L109 HydrophobicContact CG-CD1 4.4Å; Q105-L109 HydrophobicContact CG-CG 4.43Å; Q105-L109 WeakPolarHBondContact O-CG 3.36Å; Q105-L109 PolarHBondContact O-N 3.01Å; Q106-L109 PolarHBondContact O-N 2.77Å; L109-V111 PolarHBondContact O-N 3.36Å |
| 110 | N | 95.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14.3 | 178.7 | -73.7 | -19.2 | 0 | 0 | 0 | 114 | D18 Q106 S107 F108 R112 N113 W114 | D18-N110 PolarHBondContact OD2-ND2 2.58Å; Q106-N110 PolarHBondContact NE2-OD1 3.1Å; Q106-N110 VanDerWaalsContact NE2-OD1 3.09Å; Q106-N110 WeakPolarHBondContact O-CB 3.32Å; Q106-N110 VanDerWaalsContact O-CG 3.3Å; Q106-N110 PolarHBondContact O-N 2.74Å; Q106-N110 PolarHBondContact O-ND2 3.43Å; S107-N110 PolarHBondContact O-N 2.97Å; F108-N110 PolarHBondContact O-N 2.94Å; N110-R112 PolarHBondContact O-N 3.18Å; N110-N113 WeakPolarHBondContact O-CB 3.28Å; N110-N113 PolarHBondContact O-N 3.49Å; N110-W114 VanDerWaalsContact O-CD1 3.22Å; N110-W114 PolarHBondContact O-N 3.19Å; N110-W114 VanDerWaalsContact O-N 3.1Å |
| 111 | V | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.1 | -38.8 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L98 F100 S107 F108 L109 N113 W114 M115 L131 L152 | L98-V111 HydrophobicContact CD2-CG1 3.79Å; L98-V111 HydrophobicContact CG-CG1 4.29Å; F100-V111 HydrophobicContact CB-CG2 3.87Å; F100-V111 HydrophobicContact CD1-CG2 3.99Å; F100-V111 HydrophobicContact CG-CG2 4.17Å; S107-V111 PolarHBondContact O-N 2.83Å; F108-V111 HydrophobicContact CD2-CG2 4.44Å; F108-V111 WeakPolarHBondContact O-CB 3.41Å; F108-V111 VanDerWaalsContact O-CG2 3.27Å; F108-V111 WeakPolarHBondContact O-CG2 3.46Å; F108-V111 PolarHBondContact O-N 3.35Å; F108-V111 VanDerWaalsContact O-N 3.12Å; L109-V111 PolarHBondContact O-N 3.36Å; V111-N113 VanDerWaalsContact C-N 3.31Å; V111-N113 PolarHBondContact O-N 3.48Å; V111-W114 PolarHBondContact O-N 3.31Å; V111-M115 WeakPolarHBondContact O-CB 3.48Å; V111-M115 PolarHBondContact O-N 3.24Å; V111-L131 HydrophobicContact CG1-CD1 3.68Å; V111-L131 HydrophobicContact CG2-CD1 4.26Å; V111-L152 HydrophobicContact CB-CD2 4.18Å; V111-L152 HydrophobicContact CG1-CD2 3.87Å |
| 112 | R | 93.9 | Very high | 92 | Very high | 124 Ų | 124 | 46 Ų | 46 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.3 | -39.1 | 178.2 | -63.2 | -175.4 | 177 | 173.5 | 0.6 | 112.5 | N110 M115 S116 L152 | N110-R112 PolarHBondContact O-N 3.18Å; R112-M115 PolarHBondContact O-N 3.42Å; R112-S116 PolarHBondContact O-N 3.25Å; R112-L152 HydrophobicContact CG-CD1 4.45Å |
| 113 | N | 91.9 | Very high | 90.8 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 178.2 | -63.5 | -24.6 | 0 | 0 | 0 | 110.7 | N110 V111 Q117 | N110-N113 WeakPolarHBondContact O-CB 3.28Å; N110-N113 PolarHBondContact O-N 3.49Å; V111-N113 VanDerWaalsContact C-N 3.31Å; V111-N113 PolarHBondContact O-N 3.48Å; N113-Q117 PolarHBondContact O-N 3.42Å; N113-Q117 VanDerWaalsContact O-N 3.11Å; N113-Q117 PolarHBondContact O-NE2 3.39Å |
| 114 | W | 91.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.1 | -73.6 | 112.8 | 0 | 0 | 0 | 112 | D18 L98 N110 V111 S116 Q117 L118 | D18-W114 PolarHBondContact OD1-NE1 2.99Å; L98-W114 HydrophobicContact CD1-CB 3.51Å; L98-W114 HydrophobicContact CD1-CG 4.01Å; L98-W114 HydrophobicContact CD2-CB 4.37Å; N110-W114 VanDerWaalsContact O-CD1 3.22Å; N110-W114 PolarHBondContact O-N 3.19Å; N110-W114 VanDerWaalsContact O-N 3.1Å; V111-W114 PolarHBondContact O-N 3.31Å; W114-S116 PolarHBondContact O-N 2.8Å; W114-Q117 PolarHBondContact O-N 3.12Å; W114-L118 PolarHBondContact O-N 3.32Å |
| 115 | M | 91.4 | Very high | 88.1 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 176.9 | -169.1 | 62.9 | 102 | 0 | 0 | 111.8 | V111 R112 Q117 L118 Q119 I129 Y156 V158 | V111-M115 WeakPolarHBondContact O-CB 3.48Å; V111-M115 PolarHBondContact O-N 3.24Å; R112-M115 PolarHBondContact O-N 3.42Å; M115-Q117 VanDerWaalsContact C-N 3.31Å; M115-Q117 PolarHBondContact O-N 3.09Å; M115-L118 WeakPolarHBondContact O-CB 3.44Å; M115-L118 PolarHBondContact O-N 3.05Å; M115-Q119 WeakPolarHBondContact O-CG 3.27Å; M115-Q119 PolarHBondContact O-N 2.7Å; M115-I129 HydrophobicContact CE-CD1 4.02Å; M115-I129 HydrophobicContact SD-CD1 3.46Å; M115-I129 WeakPolarHBondContact SD-CD1 3.27Å; M115-Y156 HydrophobicContact CB-CE1 4.38Å; M115-Y156 HydrophobicContact CE-CD1 3.84Å; M115-Y156 HydrophobicContact CE-CD2 3.76Å; M115-Y156 HydrophobicContact CE-CE1 4.44Å; M115-Y156 HydrophobicContact CE-CE2 4.35Å; M115-Y156 HydrophobicContact CE-CG 3.47Å; M115-Y156 VanDerWaalsContact CE-CG 3.47Å; M115-Y156 HydrophobicContact CG-CD1 3.88Å; M115-Y156 HydrophobicContact CG-CE1 3.63Å; M115-Y156 HydrophobicContact CG-CE2 4.34Å; M115-Y156 HydrophobicContact CG-CG 4.36Å; M115-V158 HydrophobicContact CE-CG1 4.26Å |
| 116 | S | 89.4 | Confident | 87.1 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 176 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | R112 W114 A120 | R112-S116 PolarHBondContact O-N 3.25Å; W114-S116 PolarHBondContact O-N 2.8Å; S116-A120 WeakPolarHBondContact O-CB 3.21Å; S116-A120 PolarHBondContact O-N 2.93Å |
| 117 | Q | 85.9 | Confident | 86.6 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -39.3 | 175.4 | -84.9 | 160.2 | 79.7 | 0 | 0 | 113.1 | F90 N113 W114 M115 A120 N121 | F90-Q117 HydrophobicContact CE2-CB 4.3Å; N113-Q117 PolarHBondContact O-N 3.42Å; N113-Q117 VanDerWaalsContact O-N 3.11Å; N113-Q117 PolarHBondContact O-NE2 3.39Å; W114-Q117 PolarHBondContact O-N 3.12Å; M115-Q117 VanDerWaalsContact C-N 3.31Å; M115-Q117 PolarHBondContact O-N 3.09Å; Q117-A120 PolarHBondContact O-N 2.84Å; Q117-N121 WeakPolarHBondContact O-CB 3.47Å; Q117-N121 PolarHBondContact O-N 2.91Å; Q117-N121 PolarHBondContact O-ND2 2.75Å |
| 118 | L | 87 | Confident | 86.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -51.3 | 174.5 | -80.6 | 170.1 | 0 | 0 | 0 | 110.6 | L16 F90 F96 L98 W114 M115 A120 N121 A122 I129 | L16-L118 HydrophobicContact CD1-CD1 3.98Å; L16-L118 HydrophobicContact CD1-CD2 3.53Å; L16-L118 HydrophobicContact CD1-CG 3.93Å; F90-L118 HydrophobicContact CD2-CD2 4.2Å; F90-L118 HydrophobicContact CE2-CD2 4.2Å; F90-L118 HydrophobicContact CG-CD2 4.48Å; F90-L118 HydrophobicContact CZ-CD2 4.41Å; F96-L118 HydrophobicContact CB-CD1 4.37Å; F96-L118 HydrophobicContact CD1-CD2 3.4Å; F96-L118 VanDerWaalsContact CD1-CD2 3.4Å; F96-L118 HydrophobicContact CD2-CD2 3.99Å; F96-L118 HydrophobicContact CE1-CD2 3.4Å; F96-L118 HydrophobicContact CE2-CD2 4.01Å; F96-L118 HydrophobicContact CG-CD1 4.38Å; F96-L118 HydrophobicContact CG-CD2 3.7Å; F96-L118 HydrophobicContact CZ-CD2 3.72Å; L98-L118 HydrophobicContact CD2-CD1 4.45Å; W114-L118 PolarHBondContact O-N 3.32Å; M115-L118 WeakPolarHBondContact O-CB 3.44Å; M115-L118 PolarHBondContact O-N 3.05Å; L118-A120 PolarHBondContact O-N 2.98Å; L118-N121 PolarHBondContact O-N 2.76Å; L118-A122 WeakPolarHBondContact O-CB 3.41Å; L118-A122 PolarHBondContact O-N 3.33Å; L118-I129 HydrophobicContact CD1-CD1 3.94Å; L118-I129 HydrophobicContact CD1-CG1 4.45Å |
| 119 | Q | 84.8 | Confident | 86.4 | Confident | 115 Ų | 115 | 59.5 Ų | 59.5 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -32.1 | 178.8 | -70.6 | 173.5 | -27 | 0 | 0 | 113 | M115 | M115-Q119 WeakPolarHBondContact O-CG 3.27Å; M115-Q119 PolarHBondContact O-N 2.7Å |
| 120 | A | 84.2 | Confident | 86.5 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -82.1 | -19.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S116 Q117 L118 | S116-A120 WeakPolarHBondContact O-CB 3.21Å; S116-A120 PolarHBondContact O-N 2.93Å; Q117-A120 PolarHBondContact O-N 2.84Å; L118-A120 PolarHBondContact O-N 2.98Å |
| 121 | N | 81.4 | Confident | 86.6 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -135.3 | -8.8 | -167.4 | -60.9 | -79.2 | 0 | 0 | 0 | 114.8 | T87 F90 Q117 L118 | T87-N121 HydrophobicContact CG2-CB 3.82Å; T87-N121 WeakPolarHBondContact CG2-OD1 3.44Å; F90-N121 HydrophobicContact CD2-CB 3.87Å; Q117-N121 WeakPolarHBondContact O-CB 3.47Å; Q117-N121 PolarHBondContact O-N 2.91Å; Q117-N121 PolarHBondContact O-ND2 2.75Å; L118-N121 PolarHBondContact O-N 2.76Å |
| 122 | A | 78.1 | Confident | 86.8 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -64.2 | 155.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F96 L118 C124 P127 | F96-A122 HydrophobicContact CE2-CB 4.44Å; F96-A122 HydrophobicContact CZ-CB 4.44Å; L118-A122 WeakPolarHBondContact O-CB 3.41Å; L118-A122 PolarHBondContact O-N 3.33Å; A122-C124 VanDerWaalsContact C-N 3.25Å; A122-C124 PolarHBondContact O-N 3.1Å; A122-P127 HydrophobicContact CB-CB 4.02Å; A122-P127 HydrophobicContact CB-CG 3.96Å |
| 123 | Y | 72.8 | Confident | 87 | Confident | 195 Ų | 195 | 48.4 Ų | 48.4 | 77% | 0.765 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -63.2 | -30.4 | -179.4 | 175.9 | -99.7 | 0 | 0 | 0 | 113.6 | R91 | R91-Y123 WeakPolarHBondContact O-CB 3.44Š|
| 124 | C | 70.3 | Confident | 87.3 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -123.1 | 155.6 | 179 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | A122 S126 P127 | A122-C124 VanDerWaalsContact C-N 3.25Å; A122-C124 PolarHBondContact O-N 3.1Å; C124-S126 PolarHBondContact O-N 2.81Å; C124-S126 VanDerWaalsContact O-N 3.13Å; C124-S126 PolarHBondContact SG-O 2.84Å; C124-P127 WeakPolarHBondContact O-CD 3.33Å; C124-P127 VanDerWaalsContact SG-CA 3.59Å; C124-P127 VanDerWaalsContact SG-N 3.44Å |
| 125 | D | 69.6 | Low | 87.6 | Confident | 164 Ų | 164 | 47 Ų | 47 | 88% | 0.877 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -62.1 | -20.7 | 178.6 | -61.4 | -30.5 | 0 | 0 | 0 | 113.3 | ||
| 126 | S | 76.9 | Confident | 87.9 | Confident | 94 Ų | 94 | 48 Ų | 48 | 66% | 0.657 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -133.5 | 79.4 | 179.2 | -164.8 | 0 | 0 | 0 | 0 | 111.5 | C124 | C124-S126 PolarHBondContact O-N 2.81Å; C124-S126 VanDerWaalsContact O-N 3.13Å; C124-S126 PolarHBondContact SG-O 2.84Å |
| 127 | P | 85.9 | Confident | 88.3 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | trans | -68.8 | 142.9 | 176.8 | 27.6 | -33 | 0 | 0 | 0 | 111.3 | F96 A122 C124 I129 | F96-P127 HydrophobicContact CD2-CB 3.8Å; F96-P127 HydrophobicContact CE2-CB 3.53Å; F96-P127 HydrophobicContact CE2-CG 4.49Å; A122-P127 HydrophobicContact CB-CB 4.02Å; A122-P127 HydrophobicContact CB-CG 3.96Å; C124-P127 WeakPolarHBondContact O-CD 3.33Å; C124-P127 VanDerWaalsContact SG-CA 3.59Å; C124-P127 VanDerWaalsContact SG-N 3.44Å; P127-I129 HydrophobicContact CB-CG1 4.42Å; P127-I129 HydrophobicContact CG-CD1 3.95Å; P127-I129 HydrophobicContact CG-CG1 4.3Å; P127-I129 WeakPolarHBondContact O-CG1 3.21Å; P127-I129 PolarHBondContact O-N 2.98Å | ||
| 128 | D | 94.9 | Very high | 88.9 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 120.4 | 172.8 | -63.3 | -55.4 | 0 | 0 | 0 | 109.4 | G95 F96 L178 L181 V182 R185 | G95-D128 CarbonylContact C-O 3.53Å; G95-D128 VanDerWaalsContact CA-O 3.29Å; G95-D128 WeakPolarHBondContact CA-O 3.23Å; F96-D128 PolarHBondContact N-O 3.23Å; D128-L178 HydrophobicContact CB-CD1 3.99Å; D128-L178 WeakPolarHBondContact O-CD1 3.1Å; D128-L181 HydrophobicContact CB-CB 4.07Å; D128-V182 HydrophobicContact CB-CG2 3.87Å; D128-V182 WeakPolarHBondContact OD2-CA 3.46Å; D128-R185 WeakPolarHBondContact OD2-CD 3.45Å; D128-R185 IonicContact OD2-CZ 3.65Å; D128-R185 IonicContact OD2-NE 3.97Å; D128-R185 PolarHBondContact OD2-NE 2.9Å; D128-R185 VanDerWaalsContact OD2-NE 3.12Å; D128-R185 IonicContact OD2-NH1 3.58Å; D128-R185 PolarHBondContact OD2-NH1 3.2Å; D128-R185 IonicContact OD2-NH2 2.67Å; D128-R185 PolarHBondContact OD2-NH2 3.16Å |
| 129 | I | 96.7 | Very high | 89.3 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.8 | -175.6 | -61.5 | 169.5 | 0 | 0 | 0 | 108.8 | F96 L98 M115 L118 P127 V158 P159 | F96-I129 HydrophobicContact CB-CG1 4.21Å; F96-I129 HydrophobicContact CD2-CG1 4.29Å; F96-I129 WeakPolarHBondContact O-CA 3.36Å; L98-I129 HydrophobicContact CB-CG2 3.99Å; M115-I129 HydrophobicContact CE-CD1 4.02Å; M115-I129 HydrophobicContact SD-CD1 3.46Å; M115-I129 WeakPolarHBondContact SD-CD1 3.27Å; L118-I129 HydrophobicContact CD1-CD1 3.94Å; L118-I129 HydrophobicContact CD1-CG1 4.45Å; P127-I129 HydrophobicContact CB-CG1 4.42Å; P127-I129 HydrophobicContact CG-CD1 3.95Å; P127-I129 HydrophobicContact CG-CG1 4.3Å; P127-I129 WeakPolarHBondContact O-CG1 3.21Å; P127-I129 PolarHBondContact O-N 2.98Å; I129-V158 HydrophobicContact CB-CG1 3.94Å; I129-V158 HydrophobicContact CG2-CG1 4.24Å; I129-P159 WeakPolarHBondContact O-CD 3.43Å |
| 130 | V | 98.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.6 | 163.2 | 172.1 | 0 | 0 | 0 | 0 | 108.5 | F96 L97 L98 V132 P159 F161 A174 T177 L178 L181 | F96-V130 PolarHBondContact O-N 3.4Å; L97-V130 HydrophobicContact CD2-CB 4.35Å; L98-V130 PolarHBondContact N-O 3.43Å; V130-V132 HydrophobicContact CG1-CG2 4Å; V130-P159 HydrophobicContact CG2-CB 4.28Å; V130-P159 HydrophobicContact CG2-CG 4.31Å; V130-F161 HydrophobicContact CG1-CD2 3.57Å; V130-F161 HydrophobicContact CG1-CE2 3.95Å; V130-A174 HydrophobicContact CG1-CB 4.4Å; V130-T177 HydrophobicContact CG2-CG2 4.32Å; V130-L178 HydrophobicContact CB-CB 4.4Å; V130-L178 HydrophobicContact CG2-CB 3.72Å; V130-L178 HydrophobicContact CG2-CD1 4.13Å; V130-L178 HydrophobicContact CG2-CG 4.46Å; V130-L181 HydrophobicContact CG2-CD1 4.32Å |
| 131 | L | 98.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.9 | 173.6 | -174.6 | 69.1 | 0 | 0 | 0 | 109.5 | L98 F100 V111 A153 V158 P159 Y160 F161 | L98-L131 HydrophobicContact CB-CD1 4.47Å; L98-L131 HydrophobicContact CD2-CD1 4.45Å; L98-L131 HydrophobicContact CG-CD1 4.21Å; L98-L131 CarbonylContact O-C 3.57Å; L98-L131 WeakPolarHBondContact O-CA 3.06Å; F100-L131 HydrophobicContact CD1-CD1 4.02Å; F100-L131 HydrophobicContact CD1-CG 4.38Å; F100-L131 HydrophobicContact CE1-CD1 4.12Å; F100-L131 HydrophobicContact CE1-CD2 4.18Å; F100-L131 HydrophobicContact CE1-CG 3.99Å; V111-L131 HydrophobicContact CG1-CD1 3.68Å; V111-L131 HydrophobicContact CG2-CD1 4.26Å; L131-A153 HydrophobicContact CD2-CB 3.91Å; L131-V158 HydrophobicContact CB-CG2 4.06Å; L131-P159 PolarHBondContact N-O 3.39Å; L131-Y160 HydrophobicContact CB-CD2 4.15Å; L131-Y160 HydrophobicContact CD2-CD2 3.9Å; L131-Y160 HydrophobicContact CD2-CE2 4.44Å; L131-Y160 HydrophobicContact CG-CD2 3.93Å; L131-Y160 HydrophobicContact CG-CE2 4.47Å; L131-Y160 WeakPolarHBondContact O-CA 3.39Å; L131-Y160 WeakPolarHBondContact O-CD2 3.23Å; L131-F161 PolarHBondContact O-N 2.99Å |
| 132 | V | 98.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 115.9 | -175.5 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | F26 L97 L98 M99 F100 V130 T134 F161 T163 A174 | F26-V132 HydrophobicContact CE2-CG1 4.18Å; L97-V132 HydrophobicContact CD2-CG2 4.17Å; L98-V132 PolarHBondContact O-N 3.36Å; M99-V132 WeakPolarHBondContact CA-O 3.43Å; M99-V132 HydrophobicContact CE-CG1 4.08Å; M99-V132 HydrophobicContact CG-CB 4.11Å; F100-V132 WeakPolarHBondContact CD1-O 3.46Å; F100-V132 PolarHBondContact N-O 3.34Å; V130-V132 HydrophobicContact CG1-CG2 4Å; V132-T134 HydrophobicContact CG1-CG2 4.13Å; V132-F161 WeakPolarHBondContact CA-O 3.43Å; V132-T163 HydrophobicContact CG1-CG2 3.64Å; V132-T163 WeakPolarHBondContact CG1-OG1 3.46Å; V132-A174 HydrophobicContact CG2-CB 4.33Å |
| 133 | G | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 113.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F161 E162 T163 | G133-F161 PolarHBondContact N-O 2.71Å; G133-E162 CarbonylContact O-C 3.57Å; G133-E162 WeakPolarHBondContact O-CA 3.28Å; G133-T163 PolarHBondContact O-N 3.06Å; G133-T163 PolarHBondContact O-OG1 2.82Å |
| 134 | T | 98.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 167.9 | -177.2 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | V21 M99 F100 D101 L102 V132 A136 T163 | V21-T134 PolarHBondContact O-OG1 2.99Å; M99-T134 HydrophobicContact CE-CG2 3.27Å; F100-T134 PolarHBondContact O-N 3.25Å; F100-T134 PolarHBondContact O-OG1 2.86Å; D101-T134 WeakPolarHBondContact CA-OG1 3.41Å; L102-T134 VanDerWaalsContact CB-O 3.25Å; L102-T134 WeakPolarHBondContact CB-O 3.21Å; L102-T134 WeakPolarHBondContact CD1-O 3.29Å; L102-T134 VanDerWaalsContact CG-O 3.31Å; L102-T134 WeakPolarHBondContact CG-O 3.48Å; L102-T134 PolarHBondContact N-O 3.47Å; V132-T134 HydrophobicContact CG1-CG2 4.13Å; T134-A136 VanDerWaalsContact C-N 3.33Å; T134-A136 PolarHBondContact O-N 2.6Å; T134-T163 CarbonylContact C-O 3.49Å; T134-T163 WeakPolarHBondContact CA-O 3.24Å |
| 135 | K | 97.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | trans | 63.7 | 34.6 | 176.8 | -46.5 | -171.3 | -164.5 | 166 | 0 | 113.4 | G20 V21 D101 T103 D137 L138 T163 | G20-K135 PolarHBondContact O-NZ 3.5Å; V21-K135 WeakPolarHBondContact O-CE 3.5Å; D101-K135 WeakPolarHBondContact OD1-CD 3.42Å; D101-K135 IonicContact OD1-NZ 2.72Å; D101-K135 VanDerWaalsContact OD2-CE 3.29Å; D101-K135 WeakPolarHBondContact OD2-CE 3.41Å; D101-K135 IonicContact OD2-NZ 2.77Å; D101-K135 PolarHBondContact OD2-NZ 2.89Å; T103-K135 HydrophobicContact CG2-CB 4.46Å; K135-D137 WeakPolarHBondContact CA-OD1 3.4Å; K135-D137 PolarHBondContact O-N 3.37Å; K135-D137 VanDerWaalsContact O-N 3.08Å; K135-L138 HydrophobicContact CB-CD1 4.07Å; K135-L138 HydrophobicContact CB-CG 4.34Å; K135-L138 HydrophobicContact CD-CD1 4.13Å; K135-L138 PolarHBondContact O-N 3.33Å; K135-T163 PolarHBondContact N-O 2.84Å | ||
| 136 | A | 98.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | L102 T134 L138 E162 T163 | L102-A136 HydrophobicContact CD1-CB 3.74Å; T134-A136 VanDerWaalsContact C-N 3.33Å; T134-A136 PolarHBondContact O-N 2.6Å; A136-L138 VanDerWaalsContact C-N 3.3Å; A136-L138 PolarHBondContact O-N 3.47Å; A136-E162 HydrophobicContact CB-CB 4.16Å; A136-T163 WeakPolarHBondContact CB-O 3.29Å; A136-T163 PolarHBondContact N-O 2.91Å |
| 137 | D | 97.7 | Very high | 96.8 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.1 | 172.7 | 57.1 | -68.3 | 0 | 0 | 0 | 113.4 | K135 K139 S164 T167 | K135-D137 WeakPolarHBondContact CA-OD1 3.4Å; K135-D137 PolarHBondContact O-N 3.37Å; K135-D137 VanDerWaalsContact O-N 3.08Å; D137-K139 VanDerWaalsContact C-N 3.27Å; D137-K139 PolarHBondContact O-N 3.39Å; D137-S164 WeakPolarHBondContact CB-OG 3.27Å; D137-S164 VanDerWaalsContact OD1-CB 3.28Å; D137-S164 WeakPolarHBondContact OD1-CB 3.46Å; D137-S164 PolarHBondContact OD1-OG 2.99Å; D137-T167 HydrophobicContact CB-CG2 4.19Å |
| 138 | L | 96.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | trans | -88 | 56.4 | -177.5 | -58.1 | -177.9 | 0 | 0 | 0 | 112.1 | T103 K135 A136 D140 L141 R142 | T103-L138 HydrophobicContact CG2-CB 3.72Å; T103-L138 HydrophobicContact CG2-CD1 4.06Å; K135-L138 HydrophobicContact CB-CD1 4.07Å; K135-L138 HydrophobicContact CB-CG 4.34Å; K135-L138 HydrophobicContact CD-CD1 4.13Å; K135-L138 PolarHBondContact O-N 3.33Å; A136-L138 VanDerWaalsContact C-N 3.3Å; A136-L138 PolarHBondContact O-N 3.47Å; L138-D140 VanDerWaalsContact C-N 3.27Å; L138-D140 PolarHBondContact O-N 3.48Å; L138-L141 HydrophobicContact CB-CB 4.37Å; L138-L141 HydrophobicContact CD1-CD1 4.45Å; L138-L141 PolarHBondContact O-N 3.04Å; L138-R142 PolarHBondContact O-N 3.39Å | ||
| 139 | K | 96.1 | Very high | 97.5 | Very high | 167 Ų | 167 | 58.5 Ų | 58.5 | 73% | 0.726 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -56.7 | -36.8 | -173.3 | -63.5 | -177.6 | -177.9 | 178.5 | 0 | 113.8 | D137 L141 R142 | D137-K139 VanDerWaalsContact C-N 3.27Å; D137-K139 PolarHBondContact O-N 3.39Å; K139-L141 VanDerWaalsContact C-N 3.25Å; K139-L141 PolarHBondContact O-N 2.98Å; K139-R142 VanDerWaalsContact O-CB 3.26Å; K139-R142 WeakPolarHBondContact O-CB 3.48Å; K139-R142 PolarHBondContact O-N 3.37Å |
| 140 | D | 97.3 | Very high | 97.6 | Very high | 166 Ų | 166 | 64.2 Ų | 64.2 | 89% | 0.888 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -72.7 | -19.1 | -178.8 | -57.8 | -38.7 | 0 | 0 | 0 | 113.3 | L138 | L138-D140 VanDerWaalsContact C-N 3.27Å; L138-D140 PolarHBondContact O-N 3.48Å |
| 141 | L | 97.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 67.8 Ų | 67.8 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -102.9 | 9.8 | 178.6 | -59.2 | 179.5 | 0 | 0 | 0 | 112 | T103 L138 K139 D143 | T103-L141 VanDerWaalsContact CA-O 3.3Å; T103-L141 WeakPolarHBondContact CA-O 3.48Å; T103-L141 WeakPolarHBondContact CB-O 3.37Å; T103-L141 HydrophobicContact CG2-CB 3.79Å; T103-L141 WeakPolarHBondContact CG2-O 3.49Å; L138-L141 HydrophobicContact CB-CB 4.37Å; L138-L141 HydrophobicContact CD1-CD1 4.45Å; L138-L141 PolarHBondContact O-N 3.04Å; K139-L141 VanDerWaalsContact C-N 3.25Å; K139-L141 PolarHBondContact O-N 2.98Å; L141-D143 PolarHBondContact O-N 3.5Å |
| 142 | R | 98.1 | Very high | 97.5 | Very high | 95 Ų | 95 | 67.8 Ų | 67.8 | 36% | 0.358 | 33% | 0.327 | S | S | . | . | trans | -64 | 123.5 | -176.5 | -175.7 | 175.3 | -150.8 | 165.2 | 18.8 | 110.9 | L138 K139 V144 E162 | L138-R142 PolarHBondContact O-N 3.39Å; K139-R142 VanDerWaalsContact O-CB 3.26Å; K139-R142 WeakPolarHBondContact O-CB 3.48Å; K139-R142 PolarHBondContact O-N 3.37Å; R142-V144 WeakPolarHBondContact CG-O 3.38Å; R142-V144 PolarHBondContact NE-O 3.43Å; R142-E162 IonicContact CZ-OE1 3.88Å; R142-E162 IonicContact CZ-OE2 3.64Å; R142-E162 IonicContact NH1-OE2 3.86Å; R142-E162 IonicContact NH2-OE1 3.35Å; R142-E162 PolarHBondContact NH2-OE1 2.87Å; R142-E162 IonicContact NH2-OE2 3.1Å; R142-E162 PolarHBondContact NH2-OE2 2.85Å | ||
| 143 | D | 97.9 | Very high | 97.5 | Very high | 90 Ų | 90 | 67.8 Ų | 67.8 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | trans | -111.5 | -30.1 | 178.4 | -162 | 19.5 | 0 | 0 | 0 | 110.9 | L102 Q105 L141 | L102-D143 PolarHBondContact O-N 2.89Å; Q105-D143 WeakPolarHBondContact CB-OD2 3.3Å; Q105-D143 PolarHBondContact N-OD2 3.09Å; Q105-D143 PolarHBondContact OE1-O 3.48Å; L141-D143 PolarHBondContact O-N 3.5Å | ||
| 144 | V | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -100.9 | 119.5 | 178.4 | -172 | 0 | 0 | 0 | 0 | 110.8 | F100 L102 F108 R142 A149 | F100-V144 HydrophobicContact CD2-CG2 4.36Å; F100-V144 HydrophobicContact CE2-CB 4.11Å; F100-V144 HydrophobicContact CE2-CG1 3.79Å; F100-V144 HydrophobicContact CE2-CG2 4.18Å; F100-V144 HydrophobicContact CZ-CG1 4.42Å; L102-V144 HydrophobicContact CD2-CB 4.26Å; L102-V144 PolarHBondContact O-N 2.9Å; F108-V144 HydrophobicContact CB-CG1 4.17Å; F108-V144 HydrophobicContact CB-CG2 3.66Å; F108-V144 HydrophobicContact CD1-CG1 3.97Å; F108-V144 HydrophobicContact CD2-CG1 3.95Å; F108-V144 HydrophobicContact CE1-CG1 4.35Å; F108-V144 HydrophobicContact CE2-CG1 4.33Å; F108-V144 HydrophobicContact CG-CG1 3.74Å; F108-V144 HydrophobicContact CG-CG2 4.17Å; R142-V144 WeakPolarHBondContact CG-O 3.38Å; R142-V144 PolarHBondContact NE-O 3.43Å; V144-A149 HydrophobicContact CG1-CB 4.38Å |
| 145 | Q | 97 | Very high | 97.3 | Very high | 124 Ų | 124 | 79.8 Ų | 79.8 | 58% | 0.579 | 38% | 0.379 | S | S | * | . | trans | -73.4 | 134 | 177.1 | -67.1 | -70.2 | -3.5 | 0 | 0 | 111.7 | K147 Q148 A149 | Q145-K147 PolarHBondContact O-N 2.86Å; Q145-K147 VanDerWaalsContact O-N 3.17Å; Q145-Q148 HydrophobicContact CB-CB 4.39Å; Q145-Q148 WeakPolarHBondContact O-CB 2.87Å; Q145-Q148 PolarHBondContact O-N 3.4Å; Q145-A149 PolarHBondContact O-N 2.85Å | ||
| 146 | G | 93.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 80.3 Ų | 80.3 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.1 | -33.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A149 R150 E162 | G146-A149 PolarHBondContact O-N 2.84Å; G146-R150 WeakPolarHBondContact O-CB 3.47Å; G146-R150 PolarHBondContact O-N 3.12Å; G146-E162 WeakPolarHBondContact CA-OE1 3.46Å |
| 147 | K | 96.9 | Very high | 97.1 | Very high | 158 Ų | 158 | 84.7 Ų | 84.7 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 173.5 | -175.4 | -178.4 | 176.9 | -175.8 | 0 | 111.9 | Q145 A149 R150 D151 | Q145-K147 PolarHBondContact O-N 2.86Å; Q145-K147 VanDerWaalsContact O-N 3.17Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 2.89Å; K147-R150 PolarHBondContact O-N 3.31Å; K147-D151 WeakPolarHBondContact O-CB 3.46Å; K147-D151 PolarHBondContact O-N 3.49Å |
| 148 | Q | 96.9 | Very high | 97.1 | Very high | 73 Ų | 73 | 82.7 Ų | 82.7 | 34% | 0.341 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | -179 | -175 | -174.6 | 9.2 | 0 | 0 | 111.7 | F108 Q145 L152 | F108-Q148 HydrophobicContact CE1-CG 3.74Å; F108-Q148 HydrophobicContact CZ-CG 4.03Å; Q145-Q148 HydrophobicContact CB-CB 4.39Å; Q145-Q148 WeakPolarHBondContact O-CB 2.87Å; Q145-Q148 PolarHBondContact O-N 3.4Å; Q148-L152 PolarHBondContact O-N 2.79Å; Q148-L152 VanDerWaalsContact O-N 3.13Å |
| 149 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F100 F108 V144 Q145 G146 K147 L152 A153 Y160 | F100-A149 HydrophobicContact CE1-CB 4.43Å; F100-A149 HydrophobicContact CZ-CB 3.7Å; F108-A149 HydrophobicContact CE2-CB 3.85Å; F108-A149 HydrophobicContact CZ-CB 4.33Å; V144-A149 HydrophobicContact CG1-CB 4.38Å; Q145-A149 PolarHBondContact O-N 2.85Å; G146-A149 PolarHBondContact O-N 2.84Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 2.89Å; A149-L152 WeakPolarHBondContact O-CB 3.31Å; A149-L152 PolarHBondContact O-N 2.91Å; A149-A153 PolarHBondContact O-N 3.06Å; A149-Y160 HydrophobicContact CB-CE1 3.72Å; A149-Y160 HydrophobicContact CB-CE2 3.94Å; A149-Y160 VanDerWaalsContact CB-OH 3.22Å; A149-Y160 WeakPolarHBondContact CB-OH 3.44Å |
| 150 | R | 98.3 | Very high | 97.3 | Very high | 130 Ų | 130 | 74.4 Ų | 74.4 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.9 | -167.2 | 170.9 | -62.2 | -81.8 | -3.9 | 112.1 | G146 K147 L152 A153 D154 Y160 | G146-R150 WeakPolarHBondContact O-CB 3.47Å; G146-R150 PolarHBondContact O-N 3.12Å; K147-R150 PolarHBondContact O-N 3.31Å; R150-L152 PolarHBondContact O-N 2.8Å; R150-L152 VanDerWaalsContact O-N 3.17Å; R150-A153 WeakPolarHBondContact O-CB 3.36Å; R150-A153 PolarHBondContact O-N 2.72Å; R150-D154 VanDerWaalsContact O-CG 3.26Å; R150-D154 PolarHBondContact O-N 3Å; R150-Y160 HydrophobicContact CB-CD1 4.21Å |
| 151 | D | 98.3 | Very high | 97.3 | Very high | 74 Ų | 74 | 68 Ų | 68 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -28.8 | 175.4 | -65.1 | -16.2 | 0 | 0 | 0 | 112.3 | K147 R155 | K147-D151 WeakPolarHBondContact O-CB 3.46Å; K147-D151 PolarHBondContact O-N 3.49Å; D151-R155 WeakPolarHBondContact O-CG 3.48Å; D151-R155 PolarHBondContact O-N 3.41Å; D151-R155 PolarHBondContact O-NE 2.94Å |
| 152 | L | 97.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74.7 | -44.4 | 172.9 | -172.5 | 69 | 0 | 0 | 0 | 111.6 | F108 V111 R112 Q148 A149 R150 R155 Y156 | F108-L152 HydrophobicContact CD2-CD2 4.33Å; F108-L152 HydrophobicContact CE1-CD2 4.44Å; F108-L152 HydrophobicContact CE2-CB 4.23Å; F108-L152 HydrophobicContact CE2-CD2 3.49Å; F108-L152 VanDerWaalsContact CE2-CD2 3.49Å; F108-L152 HydrophobicContact CZ-CB 3.91Å; F108-L152 HydrophobicContact CZ-CD2 3.57Å; F108-L152 HydrophobicContact CZ-CG 4.34Å; V111-L152 HydrophobicContact CB-CD2 4.18Å; V111-L152 HydrophobicContact CG1-CD2 3.87Å; R112-L152 HydrophobicContact CG-CD1 4.45Å; Q148-L152 PolarHBondContact O-N 2.79Å; Q148-L152 VanDerWaalsContact O-N 3.13Å; A149-L152 WeakPolarHBondContact O-CB 3.31Å; A149-L152 PolarHBondContact O-N 2.91Å; R150-L152 PolarHBondContact O-N 2.8Å; R150-L152 VanDerWaalsContact O-N 3.17Å; L152-R155 PolarHBondContact O-N 3.22Å; L152-Y156 HydrophobicContact CD1-CD2 4.17Å; L152-Y156 HydrophobicContact CD1-CE2 3.59Å; L152-Y156 HydrophobicContact CD2-CE2 4.45Å; L152-Y156 HydrophobicContact CG-CD2 4.05Å; L152-Y156 HydrophobicContact CG-CE2 3.84Å; L152-Y156 VanDerWaalsContact O-CD2 3.25Å; L152-Y156 WeakPolarHBondContact O-CD2 3.48Å; L152-Y156 PolarHBondContact O-N 3.25Å |
| 153 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L131 A149 R150 R155 Y156 C157 V158 Y160 | L131-A153 HydrophobicContact CD2-CB 3.91Å; A149-A153 PolarHBondContact O-N 3.06Å; R150-A153 WeakPolarHBondContact O-CB 3.36Å; R150-A153 PolarHBondContact O-N 2.72Å; A153-R155 VanDerWaalsContact C-N 3.31Å; A153-R155 PolarHBondContact O-N 2.93Å; A153-Y156 CarbonylContact O-C 3.51Å; A153-Y156 PolarHBondContact O-N 3.1Å; A153-C157 PolarHBondContact O-N 3.22Å; A153-V158 HydrophobicContact CB-CG2 4.16Å; A153-V158 PolarHBondContact O-N 3.39Å; A153-V158 VanDerWaalsContact O-N 3.08Å; A153-Y160 HydrophobicContact CB-CG 4.31Å |
| 154 | D | 97.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 56.5 Ų | 56.5 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 178.5 | -65.9 | -17.7 | 0 | 0 | 0 | 111.5 | R150 Y156 C157 | R150-D154 VanDerWaalsContact O-CG 3.26Å; R150-D154 PolarHBondContact O-N 3Å; D154-Y156 VanDerWaalsContact C-N 3.25Å; D154-Y156 PolarHBondContact O-N 2.85Å; D154-C157 PolarHBondContact O-N 2.83Å; D154-C157 VanDerWaalsContact O-N 3.09Å |
| 155 | R | 96.3 | Very high | 97.4 | Very high | 153 Ų | 153 | 56.9 Ų | 56.9 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.2 | -29.6 | 175.5 | -81.1 | -176.3 | -69.2 | -166.2 | -5.6 | 113.7 | D151 L152 A153 | D151-R155 WeakPolarHBondContact O-CG 3.48Å; D151-R155 PolarHBondContact O-N 3.41Å; D151-R155 PolarHBondContact O-NE 2.94Å; L152-R155 PolarHBondContact O-N 3.22Å; A153-R155 VanDerWaalsContact C-N 3.31Å; A153-R155 PolarHBondContact O-N 2.93Å |
| 156 | Y | 95 | Very high | 97.3 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 28% | 0.275 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -93.9 | -2.2 | 175.7 | -71.4 | -57.5 | 0 | 0 | 0 | 112.9 | M115 L152 A153 D154 V158 | M115-Y156 HydrophobicContact CB-CE1 4.38Å; M115-Y156 HydrophobicContact CE-CD1 3.84Å; M115-Y156 HydrophobicContact CE-CD2 3.76Å; M115-Y156 HydrophobicContact CE-CE1 4.44Å; M115-Y156 HydrophobicContact CE-CE2 4.35Å; M115-Y156 HydrophobicContact CE-CG 3.47Å; M115-Y156 VanDerWaalsContact CE-CG 3.47Å; M115-Y156 HydrophobicContact CG-CD1 3.88Å; M115-Y156 HydrophobicContact CG-CE1 3.63Å; M115-Y156 HydrophobicContact CG-CE2 4.34Å; M115-Y156 HydrophobicContact CG-CG 4.36Å; L152-Y156 HydrophobicContact CD1-CD2 4.17Å; L152-Y156 HydrophobicContact CD1-CE2 3.59Å; L152-Y156 HydrophobicContact CD2-CE2 4.45Å; L152-Y156 HydrophobicContact CG-CD2 4.05Å; L152-Y156 HydrophobicContact CG-CE2 3.84Å; L152-Y156 VanDerWaalsContact O-CD2 3.25Å; L152-Y156 WeakPolarHBondContact O-CD2 3.48Å; L152-Y156 PolarHBondContact O-N 3.25Å; A153-Y156 CarbonylContact O-C 3.51Å; A153-Y156 PolarHBondContact O-N 3.1Å; D154-Y156 VanDerWaalsContact C-N 3.25Å; D154-Y156 PolarHBondContact O-N 2.85Å; Y156-V158 VanDerWaalsContact C-N 3.27Å; Y156-V158 PolarHBondContact O-N 3.11Å |
| 157 | C | 95.8 | Very high | 97.5 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 80% | 0.804 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.8 | -174.5 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | A153 D154 | A153-C157 PolarHBondContact O-N 3.22Å; D154-C157 PolarHBondContact O-N 2.83Å; D154-C157 VanDerWaalsContact O-N 3.09Å |
| 158 | V | 97.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | trans | -115 | 146.8 | 179.4 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | M115 I129 L131 A153 Y156 | M115-V158 HydrophobicContact CE-CG1 4.26Å; I129-V158 HydrophobicContact CB-CG1 3.94Å; I129-V158 HydrophobicContact CG2-CG1 4.24Å; L131-V158 HydrophobicContact CB-CG2 4.06Å; A153-V158 HydrophobicContact CB-CG2 4.16Å; A153-V158 PolarHBondContact O-N 3.39Å; A153-V158 VanDerWaalsContact O-N 3.08Å; Y156-V158 VanDerWaalsContact C-N 3.27Å; Y156-V158 PolarHBondContact O-N 3.11Å | ||
| 159 | P | 98.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 50 Ų | 50 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | trans | -60.8 | 149.8 | 170.9 | -22.3 | 33.9 | 0 | 0 | 0 | 112.1 | I129 V130 L131 F161 T177 L181 | I129-P159 WeakPolarHBondContact O-CD 3.43Å; V130-P159 HydrophobicContact CG2-CB 4.28Å; V130-P159 HydrophobicContact CG2-CG 4.31Å; L131-P159 PolarHBondContact N-O 3.39Å; P159-F161 HydrophobicContact CB-CE2 4.01Å; P159-T177 HydrophobicContact CB-CG2 4.09Å; P159-T177 HydrophobicContact CG-CG2 4.02Å; P159-L181 HydrophobicContact CG-CD1 4.06Å | ||
| 160 | Y | 98.7 | Very high | 97.6 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 7% | 0.071 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.2 | 178.8 | 173.1 | -124.3 | 0 | 0 | 0 | 112.3 | F100 L131 A149 R150 A153 E162 | F100-Y160 AromaticContact CE1-CE2 3.85Å; F100-Y160 HydrophobicContact CE1-CE2 3.85Å; F100-Y160 AromaticContact CZ-CE2 3.88Å; F100-Y160 HydrophobicContact CZ-CE2 3.88Å; L131-Y160 HydrophobicContact CB-CD2 4.15Å; L131-Y160 HydrophobicContact CD2-CD2 3.9Å; L131-Y160 HydrophobicContact CD2-CE2 4.44Å; L131-Y160 HydrophobicContact CG-CD2 3.93Å; L131-Y160 HydrophobicContact CG-CE2 4.47Å; L131-Y160 WeakPolarHBondContact O-CA 3.39Å; L131-Y160 WeakPolarHBondContact O-CD2 3.23Å; A149-Y160 HydrophobicContact CB-CE1 3.72Å; A149-Y160 HydrophobicContact CB-CE2 3.94Å; A149-Y160 VanDerWaalsContact CB-OH 3.22Å; A149-Y160 WeakPolarHBondContact CB-OH 3.44Å; R150-Y160 HydrophobicContact CB-CD1 4.21Å; A153-Y160 HydrophobicContact CB-CG 4.31Å; Y160-E162 HydrophobicContact CE1-CG 3.94Å; Y160-E162 HydrophobicContact CE2-CG 4.39Å; Y160-E162 WeakPolarHBondContact OH-CG 3.46Å; Y160-E162 PolarHBondContact OH-OE1 3.28Å |
| 161 | F | 98.8 | Very high | 97.6 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.9 | 174.9 | -63.8 | -87.7 | 0 | 0 | 0 | 111.4 | V130 L131 V132 G133 P159 T163 E170 Q173 A174 T177 | V130-F161 HydrophobicContact CG1-CD2 3.57Å; V130-F161 HydrophobicContact CG1-CE2 3.95Å; L131-F161 PolarHBondContact O-N 2.99Å; V132-F161 WeakPolarHBondContact CA-O 3.43Å; G133-F161 PolarHBondContact N-O 2.71Å; P159-F161 HydrophobicContact CB-CE2 4.01Å; F161-T163 HydrophobicContact CB-CG2 3.89Å; F161-E170 HydrophobicContact CD1-CB 4.42Å; F161-E170 WeakPolarHBondContact CD1-OE2 3.41Å; F161-Q173 HydrophobicContact CD1-CG 4.24Å; F161-Q173 HydrophobicContact CE1-CB 4.25Å; F161-Q173 HydrophobicContact CE1-CG 3.49Å; F161-Q173 VanDerWaalsContact CE1-CG 3.49Å; F161-Q173 HydrophobicContact CZ-CG 4.03Å; F161-A174 HydrophobicContact CB-CB 4.1Å; F161-A174 HydrophobicContact CD2-CB 3.89Å; F161-A174 HydrophobicContact CG-CB 3.99Å; F161-T177 HydrophobicContact CE2-CG2 3.98Å; F161-T177 HydrophobicContact CZ-CG2 4.15Å; F161-T177 VanDerWaalsContact CZ-OG1 3.27Å; F161-T177 WeakPolarHBondContact CZ-OG1 3.48Å |
| 162 | E | 98.7 | Very high | 97.5 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.9 | 163.4 | -69.6 | -176.1 | -163.2 | 0 | 0 | 108 | L102 G133 A136 R142 G146 Y160 E170 | L102-E162 HydrophobicContact CD1-CB 4.21Å; L102-E162 HydrophobicContact CD1-CG 4.06Å; L102-E162 HydrophobicContact CD2-CG 4.49Å; G133-E162 CarbonylContact O-C 3.57Å; G133-E162 WeakPolarHBondContact O-CA 3.28Å; A136-E162 HydrophobicContact CB-CB 4.16Å; R142-E162 IonicContact CZ-OE1 3.88Å; R142-E162 IonicContact CZ-OE2 3.64Å; R142-E162 IonicContact NH1-OE2 3.86Å; R142-E162 IonicContact NH2-OE1 3.35Å; R142-E162 PolarHBondContact NH2-OE1 2.87Å; R142-E162 IonicContact NH2-OE2 3.1Å; R142-E162 PolarHBondContact NH2-OE2 2.85Å; G146-E162 WeakPolarHBondContact CA-OE1 3.46Å; Y160-E162 HydrophobicContact CE1-CG 3.94Å; Y160-E162 HydrophobicContact CE2-CG 4.39Å; Y160-E162 WeakPolarHBondContact OH-CG 3.46Å; Y160-E162 PolarHBondContact OH-OE1 3.28Å; E162-E170 WeakPolarHBondContact O-CB 3.23Å |
| 163 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -126.1 | 155.3 | -168.7 | 65.4 | 0 | 0 | 0 | 0 | 111 | F26 V132 G133 T134 K135 A136 F161 D169 E170 A174 | F26-T163 HydrophobicContact CE2-CG2 4Å; V132-T163 HydrophobicContact CG1-CG2 3.64Å; V132-T163 WeakPolarHBondContact CG1-OG1 3.46Å; G133-T163 PolarHBondContact O-N 3.06Å; G133-T163 PolarHBondContact O-OG1 2.82Å; T134-T163 CarbonylContact C-O 3.49Å; T134-T163 WeakPolarHBondContact CA-O 3.24Å; K135-T163 PolarHBondContact N-O 2.84Å; A136-T163 WeakPolarHBondContact CB-O 3.29Å; A136-T163 PolarHBondContact N-O 2.91Å; F161-T163 HydrophobicContact CB-CG2 3.89Å; T163-D169 VanDerWaalsContact CA-O 3.29Å; T163-D169 WeakPolarHBondContact CA-O 3.34Å; T163-E170 HydrophobicContact CG2-CB 3.84Å; T163-A174 HydrophobicContact CG2-CB 4.32Å | ||
| 164 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -131.4 | 115.5 | 168.1 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | D137 A166 T167 G168 D169 | D137-S164 WeakPolarHBondContact CB-OG 3.27Å; D137-S164 VanDerWaalsContact OD1-CB 3.28Å; D137-S164 WeakPolarHBondContact OD1-CB 3.46Å; D137-S164 PolarHBondContact OD1-OG 2.99Å; S164-A166 PolarHBondContact O-N 2.85Å; S164-A166 WeakPolarHBondContact OG-CB 3.47Å; S164-A166 PolarHBondContact OG-N 2.76Å; S164-A166 VanDerWaalsContact OG-N 3.13Å; S164-T167 VanDerWaalsContact CB-OG1 3.25Å; S164-T167 WeakPolarHBondContact CB-OG1 3.25Å; S164-T167 PolarHBondContact O-N 2.83Å; S164-T167 PolarHBondContact OG-N 2.82Å; S164-T167 VanDerWaalsContact OG-N 3.16Å; S164-T167 PolarHBondContact OG-OG1 2.81Å; S164-G168 CarbonylContact O-C 3.57Å; S164-G168 VanDerWaalsContact O-CA 3.25Å; S164-G168 WeakPolarHBondContact O-CA 3.47Å; S164-G168 PolarHBondContact O-N 2.9Å; S164-D169 PolarHBondContact N-O 3.15Å; S164-D169 PolarHBondContact O-N 2.92Å | ||
| 165 | S | 96.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.8 | 169.5 | -44.8 | 0 | 0 | 0 | 0 | 112 | F26 R29 F35 | F26-S165 VanDerWaalsContact CA-OG 3.23Å; F26-S165 WeakPolarHBondContact CA-OG 3.33Å; F26-S165 PolarHBondContact N-OG 3.34Å; R29-S165 PolarHBondContact NE-O 3.17Å; R29-S165 PolarHBondContact NH2-O 3.4Å; R29-S165 VanDerWaalsContact NH2-O 3.09Å; F35-S165 WeakPolarHBondContact CD2-O 3.11Å |
| 166 | A | 96.1 | Very high | 97.7 | Very high | 30 Ų | 30 | 44 Ų | 44 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R29 F35 S164 | R29-A166 PolarHBondContact NH2-O 3.13Å; F35-A166 HydrophobicContact CD1-CB 4.21Å; F35-A166 HydrophobicContact CD2-CB 4.5Å; F35-A166 HydrophobicContact CE1-CB 3.87Å; F35-A166 HydrophobicContact CE2-CB 4.22Å; F35-A166 HydrophobicContact CG-CB 4.5Å; F35-A166 HydrophobicContact CZ-CB 3.9Å; S164-A166 PolarHBondContact O-N 2.85Å; S164-A166 WeakPolarHBondContact OG-CB 3.47Å; S164-A166 PolarHBondContact OG-N 2.76Å; S164-A166 VanDerWaalsContact OG-N 3.13Å |
| 167 | T | 96.7 | Very high | 97.8 | Very high | 75 Ų | 75 | 42 Ų | 42 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -27 | 179.2 | 63.3 | 0 | 0 | 0 | 0 | 113 | D137 S164 D169 | D137-T167 HydrophobicContact CB-CG2 4.19Å; S164-T167 VanDerWaalsContact CB-OG1 3.25Å; S164-T167 WeakPolarHBondContact CB-OG1 3.25Å; S164-T167 PolarHBondContact O-N 2.83Å; S164-T167 PolarHBondContact OG-N 2.82Å; S164-T167 VanDerWaalsContact OG-N 3.16Å; S164-T167 PolarHBondContact OG-OG1 2.81Å; T167-D169 WeakPolarHBondContact CB-OD2 3.45Å; T167-D169 WeakPolarHBondContact OG1-CB 3.4Å; T167-D169 PolarHBondContact OG1-N 2.77Å; T167-D169 PolarHBondContact OG1-OD2 3.31Å |
| 168 | G | 96.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 19% | 0.186 | 20% | 0.202 | C | C | . | . | trans | 95 | -5.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S164 E170 V171 | S164-G168 CarbonylContact O-C 3.57Å; S164-G168 VanDerWaalsContact O-CA 3.25Å; S164-G168 WeakPolarHBondContact O-CA 3.47Å; S164-G168 PolarHBondContact O-N 2.9Å; G168-E170 PolarHBondContact O-N 3.47Å; G168-V171 PolarHBondContact O-N 3.14Å | ||
| 169 | D | 98.2 | Very high | 97.9 | Very high | 98 Ų | 98 | 35.4 Ų | 35.4 | 52% | 0.524 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 130.7 | -174.3 | -63.2 | -27.2 | 0 | 0 | 0 | 111.7 | T163 S164 T167 V171 | T163-D169 VanDerWaalsContact CA-O 3.29Å; T163-D169 WeakPolarHBondContact CA-O 3.34Å; S164-D169 PolarHBondContact N-O 3.15Å; S164-D169 PolarHBondContact O-N 2.92Å; T167-D169 WeakPolarHBondContact CB-OD2 3.45Å; T167-D169 WeakPolarHBondContact OG1-CB 3.4Å; T167-D169 PolarHBondContact OG1-N 2.77Å; T167-D169 PolarHBondContact OG1-OD2 3.31Å; D169-V171 PolarHBondContact O-N 3.03Å |
| 170 | E | 98.3 | Very high | 97.7 | Very high | 93 Ų | 93 | 35 Ų | 35 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 5.5 | 178.2 | -61.8 | -61.8 | 136.5 | 0 | 0 | 116.1 | F161 E162 T163 G168 Q173 A174 | F161-E170 HydrophobicContact CD1-CB 4.42Å; F161-E170 WeakPolarHBondContact CD1-OE2 3.41Å; E162-E170 WeakPolarHBondContact O-CB 3.23Å; T163-E170 HydrophobicContact CG2-CB 3.84Å; G168-E170 PolarHBondContact O-N 3.47Å; E170-Q173 PolarHBondContact O-N 3.11Å; E170-Q173 WeakPolarHBondContact OE2-CB 3.5Å; E170-A174 WeakPolarHBondContact O-CB 3.46Å; E170-A174 PolarHBondContact O-N 2.75Å |
| 171 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.3 | -52.8 | -179.6 | 173.8 | 0 | 0 | 0 | 0 | 111 | F26 R29 Y30 G168 D169 Q173 A174 V175 | F26-V171 HydrophobicContact CD1-CG1 4.49Å; F26-V171 HydrophobicContact CD2-CB 4.49Å; F26-V171 HydrophobicContact CD2-CG1 4.11Å; F26-V171 HydrophobicContact CD2-CG2 3.96Å; F26-V171 HydrophobicContact CE1-CG1 4.18Å; F26-V171 HydrophobicContact CE2-CB 4.01Å; F26-V171 HydrophobicContact CE2-CG1 3.79Å; F26-V171 HydrophobicContact CE2-CG2 3.82Å; F26-V171 HydrophobicContact CG-CG1 4.44Å; F26-V171 HydrophobicContact CZ-CB 4.35Å; F26-V171 HydrophobicContact CZ-CG1 3.81Å; R29-V171 HydrophobicContact CB-CG1 4.42Å; R29-V171 HydrophobicContact CG-CB 4.29Å; R29-V171 HydrophobicContact CG-CG1 4.05Å; R29-V171 HydrophobicContact CG-CG2 4.03Å; Y30-V171 HydrophobicContact CD2-CG1 4.4Å; G168-V171 PolarHBondContact O-N 3.14Å; D169-V171 PolarHBondContact O-N 3.03Å; V171-Q173 VanDerWaalsContact C-N 3.31Å; V171-Q173 PolarHBondContact O-N 3.01Å; V171-A174 PolarHBondContact O-N 3.34Å; V171-V175 PolarHBondContact O-N 2.95Å |
| 172 | D | 97.7 | Very high | 97.4 | Very high | 79 Ų | 79 | 35 Ų | 35 | 42% | 0.422 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 178.2 | -70.7 | -89.6 | 0 | 0 | 0 | 112 | Y30 K50 V175 T176 | Y30-D172 WeakPolarHBondContact CD2-OD1 3.32Å; Y30-D172 HydrophobicContact CE2-CB 4.4Å; Y30-D172 WeakPolarHBondContact CE2-OD1 3.44Å; K50-D172 IonicContact NZ-OD1 3.05Å; K50-D172 PolarHBondContact NZ-OD1 3.47Å; D172-V175 PolarHBondContact O-N 2.76Å; D172-T176 VanDerWaalsContact O-CB 3.25Å; D172-T176 WeakPolarHBondContact O-CB 3.29Å; D172-T176 PolarHBondContact O-N 3.15Å; D172-T176 PolarHBondContact O-OG1 2.68Å |
| 173 | Q | 98.3 | Very high | 97.1 | Very high | 99 Ų | 99 | 32.4 Ų | 32.4 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.5 | -41.8 | -179.4 | -170.3 | 62.7 | 23.7 | 0 | 0 | 111.8 | F161 E170 V171 T176 T177 | F161-Q173 HydrophobicContact CD1-CG 4.24Å; F161-Q173 HydrophobicContact CE1-CB 4.25Å; F161-Q173 HydrophobicContact CE1-CG 3.49Å; F161-Q173 VanDerWaalsContact CE1-CG 3.49Å; F161-Q173 HydrophobicContact CZ-CG 4.03Å; E170-Q173 PolarHBondContact O-N 3.11Å; E170-Q173 WeakPolarHBondContact OE2-CB 3.5Å; V171-Q173 VanDerWaalsContact C-N 3.31Å; V171-Q173 PolarHBondContact O-N 3.01Å; Q173-T176 PolarHBondContact O-N 3.23Å; Q173-T177 VanDerWaalsContact O-CB 3.31Å; Q173-T177 WeakPolarHBondContact O-CB 3.47Å; Q173-T177 PolarHBondContact O-N 3.17Å; Q173-T177 PolarHBondContact O-OG1 3.31Å |
| 174 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F26 V130 V132 F161 T163 E170 V171 L178 | F26-A174 HydrophobicContact CZ-CB 4.16Å; V130-A174 HydrophobicContact CG1-CB 4.4Å; V132-A174 HydrophobicContact CG2-CB 4.33Å; F161-A174 HydrophobicContact CB-CB 4.1Å; F161-A174 HydrophobicContact CD2-CB 3.89Å; F161-A174 HydrophobicContact CG-CB 3.99Å; T163-A174 HydrophobicContact CG2-CB 4.32Å; E170-A174 WeakPolarHBondContact O-CB 3.46Å; E170-A174 PolarHBondContact O-N 2.75Å; V171-A174 PolarHBondContact O-N 3.34Å; A174-L178 PolarHBondContact O-N 3.22Å; A174-L178 VanDerWaalsContact O-N 3.13Å |
| 175 | V | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.3 | -41.1 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | L13 F26 Y30 L71 L73 L97 V171 D172 T177 L178 L179 | L13-V175 HydrophobicContact CD1-CG1 4.13Å; F26-V175 HydrophobicContact CE1-CG2 3.66Å; F26-V175 HydrophobicContact CZ-CG2 3.96Å; Y30-V175 HydrophobicContact CD1-CG1 4.31Å; Y30-V175 HydrophobicContact CD1-CG2 4.27Å; Y30-V175 HydrophobicContact CD2-CB 4.11Å; Y30-V175 HydrophobicContact CD2-CG2 3.9Å; Y30-V175 HydrophobicContact CE1-CB 4.29Å; Y30-V175 HydrophobicContact CE1-CG1 3.68Å; Y30-V175 HydrophobicContact CE1-CG2 4.4Å; Y30-V175 HydrophobicContact CE2-CB 3.74Å; Y30-V175 HydrophobicContact CE2-CG1 3.94Å; Y30-V175 HydrophobicContact CE2-CG2 4.06Å; Y30-V175 HydrophobicContact CG-CG2 3.99Å; Y30-V175 VanDerWaalsContact CZ-CG1 3.45Å; L71-V175 HydrophobicContact CD1-CG1 4.36Å; L73-V175 HydrophobicContact CD2-CG1 4.44Å; L97-V175 HydrophobicContact CD1-CG2 4.26Å; V171-V175 PolarHBondContact O-N 2.95Å; D172-V175 PolarHBondContact O-N 2.76Å; V175-T177 VanDerWaalsContact C-N 3.33Å; V175-T177 PolarHBondContact O-N 3.07Å; V175-L178 PolarHBondContact O-N 2.93Å; V175-L179 WeakPolarHBondContact O-CB 3.44Å; V175-L179 PolarHBondContact O-N 3.03Å |
| 176 | T | 97 | Very high | 95.8 | Very high | 65 Ų | 65 | 42 Ų | 42 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 178.9 | -57 | 0 | 0 | 0 | 0 | 111.4 | D172 Q173 L179 D180 | D172-T176 VanDerWaalsContact O-CB 3.25Å; D172-T176 WeakPolarHBondContact O-CB 3.29Å; D172-T176 PolarHBondContact O-N 3.15Å; D172-T176 PolarHBondContact O-OG1 2.68Å; Q173-T176 PolarHBondContact O-N 3.23Å; T176-L179 PolarHBondContact O-N 3.47Å; T176-D180 WeakPolarHBondContact O-CB 3.35Å; T176-D180 PolarHBondContact O-N 2.93Å |
| 177 | T | 98.1 | Very high | 95.1 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.2 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | V130 P159 F161 Q173 V175 L179 D180 L181 | V130-T177 HydrophobicContact CG2-CG2 4.32Å; P159-T177 HydrophobicContact CB-CG2 4.09Å; P159-T177 HydrophobicContact CG-CG2 4.02Å; F161-T177 HydrophobicContact CE2-CG2 3.98Å; F161-T177 HydrophobicContact CZ-CG2 4.15Å; F161-T177 VanDerWaalsContact CZ-OG1 3.27Å; F161-T177 WeakPolarHBondContact CZ-OG1 3.48Å; Q173-T177 VanDerWaalsContact O-CB 3.31Å; Q173-T177 WeakPolarHBondContact O-CB 3.47Å; Q173-T177 PolarHBondContact O-N 3.17Å; Q173-T177 PolarHBondContact O-OG1 3.31Å; V175-T177 VanDerWaalsContact C-N 3.33Å; V175-T177 PolarHBondContact O-N 3.07Å; T177-L179 VanDerWaalsContact C-N 3.34Å; T177-L179 PolarHBondContact O-N 3.13Å; T177-D180 PolarHBondContact O-N 3.21Å; T177-L181 WeakPolarHBondContact O-CG 3.49Å; T177-L181 PolarHBondContact O-N 3.08Å; T177-L181 VanDerWaalsContact O-N 3.1Å |
| 178 | L | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 176 | -178.5 | 58.4 | 0 | 0 | 0 | 111.8 | L13 L97 D128 V130 A174 V175 L181 V182 | L13-L178 HydrophobicContact CB-CD2 4.37Å; L13-L178 HydrophobicContact CD1-CD2 4.1Å; L13-L178 HydrophobicContact CD1-CG 4.38Å; L13-L178 HydrophobicContact CD2-CD2 4.02Å; L13-L178 HydrophobicContact CD2-CG 4.08Å; L13-L178 HydrophobicContact CG-CD2 4.39Å; L97-L178 HydrophobicContact CD2-CD2 3.78Å; L97-L178 HydrophobicContact CG-CD2 3.7Å; D128-L178 HydrophobicContact CB-CD1 3.99Å; D128-L178 WeakPolarHBondContact O-CD1 3.1Å; V130-L178 HydrophobicContact CB-CB 4.4Å; V130-L178 HydrophobicContact CG2-CB 3.72Å; V130-L178 HydrophobicContact CG2-CD1 4.13Å; V130-L178 HydrophobicContact CG2-CG 4.46Å; A174-L178 PolarHBondContact O-N 3.22Å; A174-L178 VanDerWaalsContact O-N 3.13Å; V175-L178 PolarHBondContact O-N 2.93Å; L178-L181 PolarHBondContact O-N 3.24Å; L178-V182 HydrophobicContact CD1-CG2 4.47Å; L178-V182 WeakPolarHBondContact O-CG2 3.48Å; L178-V182 PolarHBondContact O-N 3.38Å; L178-V182 VanDerWaalsContact O-N 3.09Å |
| 179 | L | 96.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.8 | 175.6 | 59.6 | 0 | 0 | 0 | 111.3 | I11 V52 Y54 V69 L71 V175 T176 T177 L181 V182 M183 | I11-L179 HydrophobicContact CB-CD1 4.44Å; I11-L179 HydrophobicContact CG1-CD1 4.14Å; I11-L179 HydrophobicContact CG2-CD1 4.17Å; V52-L179 HydrophobicContact CG2-CD2 3.79Å; Y54-L179 HydrophobicContact CD2-CD2 4.23Å; Y54-L179 HydrophobicContact CD2-CG 4.24Å; V69-L179 HydrophobicContact CG1-CD1 4.1Å; L71-L179 HydrophobicContact CD2-CD1 4Å; L71-L179 HydrophobicContact CD2-CD2 4.35Å; V175-L179 WeakPolarHBondContact O-CB 3.44Å; V175-L179 PolarHBondContact O-N 3.03Å; T176-L179 PolarHBondContact O-N 3.47Å; T177-L179 VanDerWaalsContact C-N 3.34Å; T177-L179 PolarHBondContact O-N 3.13Å; L179-L181 PolarHBondContact O-N 2.81Å; L179-V182 PolarHBondContact O-N 3.18Å; L179-M183 HydrophobicContact CD1-CG 3.66Å; L179-M183 HydrophobicContact CD1-SD 4.18Å; L179-M183 HydrophobicContact CG-CG 4.09Å; L179-M183 WeakPolarHBondContact O-CB 3.42Å; L179-M183 VanDerWaalsContact O-CG 3.23Å; L179-M183 WeakPolarHBondContact O-CG 3.44Å; L179-M183 PolarHBondContact O-N 3.21Å |
| 180 | D | 95.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 178.1 | -178.9 | 62 | 0 | 0 | 0 | 112.3 | Y54 T176 T177 V182 M183 R184 | Y54-D180 HydrophobicContact CE2-CB 4.18Å; Y54-D180 PolarHBondContact OH-OD1 2.87Å; T176-D180 WeakPolarHBondContact O-CB 3.35Å; T176-D180 PolarHBondContact O-N 2.93Å; T177-D180 PolarHBondContact O-N 3.21Å; D180-V182 PolarHBondContact O-N 3.42Å; D180-M183 PolarHBondContact O-N 3.45Å; D180-R184 WeakPolarHBondContact O-CB 3.17Å; D180-R184 VanDerWaalsContact O-CG 3.27Å; D180-R184 WeakPolarHBondContact O-CG 3.44Å; D180-R184 PolarHBondContact O-N 2.91Å; D180-R184 IonicContact OD1-CZ 2.7Å; D180-R184 IonicContact OD1-NE 2.86Å; D180-R184 PolarHBondContact OD1-NE 3.05Å; D180-R184 IonicContact OD1-NH2 3.1Å; D180-R184 PolarHBondContact OD1-NH2 2.91Å; D180-R184 IonicContact OD2-CZ 3.44Å; D180-R184 IonicContact OD2-NE 3.06Å; D180-R184 PolarHBondContact OD2-NE 3.35Å; D180-R184 VanDerWaalsContact OD2-NE 3.1Å; D180-R184 IonicContact OD2-NH1 3.34Å; D180-R184 PolarHBondContact OD2-NH1 3.35Å; D180-R184 IonicContact OD2-NH2 3.49Å; D180-R184 PolarHBondContact OD2-NH2 3.19Å |
| 181 | L | 95.1 | Very high | 89.5 | Confident | 50 Ų | 50 | 56 Ų | 56 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 174 | -68.6 | 175 | 0 | 0 | 0 | 111.6 | D128 V130 P159 T177 L178 L179 M183 R184 R185 | D128-L181 HydrophobicContact CB-CB 4.07Å; V130-L181 HydrophobicContact CG2-CD1 4.32Å; P159-L181 HydrophobicContact CG-CD1 4.06Å; T177-L181 WeakPolarHBondContact O-CG 3.49Å; T177-L181 PolarHBondContact O-N 3.08Å; T177-L181 VanDerWaalsContact O-N 3.1Å; L178-L181 PolarHBondContact O-N 3.24Å; L179-L181 PolarHBondContact O-N 2.81Å; L181-M183 PolarHBondContact O-N 2.96Å; L181-R184 PolarHBondContact O-N 3.07Å; L181-R185 WeakPolarHBondContact O-CB 3.46Å; L181-R185 PolarHBondContact O-N 3.49Å |
| 182 | V | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | -179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | I11 L13 M94 D128 L178 L179 D180 R185 M186 | I11-V182 HydrophobicContact CD1-CG1 4.11Å; I11-V182 HydrophobicContact CG2-CG1 4.08Å; L13-V182 HydrophobicContact CD2-CG2 4.21Å; M94-V182 HydrophobicContact CB-CG1 3.89Å; M94-V182 HydrophobicContact CE-CG1 4.06Å; D128-V182 HydrophobicContact CB-CG2 3.87Å; D128-V182 WeakPolarHBondContact OD2-CA 3.46Å; L178-V182 HydrophobicContact CD1-CG2 4.47Å; L178-V182 WeakPolarHBondContact O-CG2 3.48Å; L178-V182 PolarHBondContact O-N 3.38Å; L178-V182 VanDerWaalsContact O-N 3.09Å; L179-V182 PolarHBondContact O-N 3.18Å; D180-V182 PolarHBondContact O-N 3.42Å; V182-R185 PolarHBondContact O-N 3.31Å; V182-M186 HydrophobicContact CG1-SD 4.22Å; V182-M186 VanDerWaalsContact O-CG 3.32Å; V182-M186 WeakPolarHBondContact O-CG 3.48Å; V182-M186 PolarHBondContact O-N 3.12Å |
| 183 | M | 92.8 | Very high | 83.8 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | -179.2 | -70.4 | -62.9 | -68.6 | 0 | 0 | 111.3 | Y9 I11 Y54 F67 V69 L179 D180 L181 R185 M186 E187 | Y9-M183 HydrophobicContact CD2-CE 3.64Å; Y9-M183 HydrophobicContact CD2-SD 4.45Å; Y9-M183 HydrophobicContact CE2-CE 3.81Å; Y9-M183 HydrophobicContact CG-CE 4.22Å; Y9-M183 HydrophobicContact CG-SD 4.48Å; I11-M183 HydrophobicContact CD1-SD 4.06Å; I11-M183 HydrophobicContact CG1-SD 4.24Å; Y54-M183 HydrophobicContact CD1-CB 4.19Å; Y54-M183 HydrophobicContact CD1-CE 3.65Å; Y54-M183 HydrophobicContact CD1-CG 3.93Å; Y54-M183 HydrophobicContact CD2-CG 4.32Å; Y54-M183 HydrophobicContact CE1-CB 3.65Å; Y54-M183 HydrophobicContact CE1-CE 4.08Å; Y54-M183 HydrophobicContact CE1-CG 3.91Å; Y54-M183 HydrophobicContact CE2-CB 4.32Å; Y54-M183 HydrophobicContact CE2-CG 4.3Å; Y54-M183 HydrophobicContact CG-CE 4.36Å; Y54-M183 HydrophobicContact CG-CG 4.15Å; F67-M183 HydrophobicContact CB-CE 4.4Å; F67-M183 HydrophobicContact CD2-CE 4.16Å; F67-M183 HydrophobicContact CG-CE 4.41Å; V69-M183 HydrophobicContact CG2-CE 4.33Å; V69-M183 HydrophobicContact CG2-SD 4.33Å; L179-M183 HydrophobicContact CD1-CG 3.66Å; L179-M183 HydrophobicContact CD1-SD 4.18Å; L179-M183 HydrophobicContact CG-CG 4.09Å; L179-M183 WeakPolarHBondContact O-CB 3.42Å; L179-M183 VanDerWaalsContact O-CG 3.23Å; L179-M183 WeakPolarHBondContact O-CG 3.44Å; L179-M183 PolarHBondContact O-N 3.21Å; D180-M183 PolarHBondContact O-N 3.45Å; L181-M183 PolarHBondContact O-N 2.96Å; M183-R185 VanDerWaalsContact C-N 3.32Å; M183-R185 PolarHBondContact O-N 3.24Å; M183-M186 WeakPolarHBondContact O-CB 3.36Å; M183-M186 PolarHBondContact O-N 2.85Å; M183-M186 VanDerWaalsContact O-N 3.11Å; M183-E187 WeakPolarHBondContact O-CG 3.48Å; M183-E187 PolarHBondContact O-N 3.28Å |
| 184 | R | 90.5 | Very high | 81 | Confident | 110 Ų | 110 | 62 Ų | 62 | 42% | 0.415 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 176.5 | -73.2 | 177.8 | -174 | -178.8 | 4.9 | 112.4 | D180 L181 M186 E187 Q188 | D180-R184 WeakPolarHBondContact O-CB 3.17Å; D180-R184 VanDerWaalsContact O-CG 3.27Å; D180-R184 WeakPolarHBondContact O-CG 3.44Å; D180-R184 PolarHBondContact O-N 2.91Å; D180-R184 IonicContact OD1-CZ 2.7Å; D180-R184 IonicContact OD1-NE 2.86Å; D180-R184 PolarHBondContact OD1-NE 3.05Å; D180-R184 IonicContact OD1-NH2 3.1Å; D180-R184 PolarHBondContact OD1-NH2 2.91Å; D180-R184 IonicContact OD2-CZ 3.44Å; D180-R184 IonicContact OD2-NE 3.06Å; D180-R184 PolarHBondContact OD2-NE 3.35Å; D180-R184 VanDerWaalsContact OD2-NE 3.1Å; D180-R184 IonicContact OD2-NH1 3.34Å; D180-R184 PolarHBondContact OD2-NH1 3.35Å; D180-R184 IonicContact OD2-NH2 3.49Å; D180-R184 PolarHBondContact OD2-NH2 3.19Å; L181-R184 PolarHBondContact O-N 3.07Å; R184-M186 VanDerWaalsContact C-N 3.31Å; R184-M186 PolarHBondContact O-N 3.03Å; R184-E187 PolarHBondContact O-N 3.48Å; R184-Q188 VanDerWaalsContact O-CG 3.29Å; R184-Q188 WeakPolarHBondContact O-CG 3.41Å; R184-Q188 PolarHBondContact O-N 3.15Å |
| 185 | R | 89.6 | Confident | 78 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 175.6 | -173.7 | -172.8 | 64.9 | -171.5 | -12.4 | 111.5 | M94 D128 L181 V182 M183 N189 | M94-R185 PolarHBondContact O-NH1 3.46Å; M94-R185 PolarHBondContact O-NH2 3.29Å; D128-R185 WeakPolarHBondContact OD2-CD 3.45Å; D128-R185 IonicContact OD2-CZ 3.65Å; D128-R185 IonicContact OD2-NE 3.97Å; D128-R185 PolarHBondContact OD2-NE 2.9Å; D128-R185 VanDerWaalsContact OD2-NE 3.12Å; D128-R185 IonicContact OD2-NH1 3.58Å; D128-R185 PolarHBondContact OD2-NH1 3.2Å; D128-R185 IonicContact OD2-NH2 2.67Å; D128-R185 PolarHBondContact OD2-NH2 3.16Å; L181-R185 WeakPolarHBondContact O-CB 3.46Å; L181-R185 PolarHBondContact O-N 3.49Å; V182-R185 PolarHBondContact O-N 3.31Å; M183-R185 VanDerWaalsContact C-N 3.32Å; M183-R185 PolarHBondContact O-N 3.24Å; R185-N189 WeakPolarHBondContact O-CB 3.18Å; R185-N189 PolarHBondContact O-N 2.83Å; R185-N189 VanDerWaalsContact O-N 3.08Å; R185-N189 PolarHBondContact O-ND2 2.97Å |
| 186 | M | 86.3 | Confident | 74.8 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 23% | 0.232 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.3 | -70.7 | 179.1 | 77.5 | 0 | 0 | 112.4 | Y9 I11 M94 V182 M183 R184 N189 T190 | Y9-M186 HydrophobicContact CD1-CE 3.8Å; Y9-M186 HydrophobicContact CE1-CE 4.04Å; I11-M186 HydrophobicContact CD1-CE 4.32Å; I11-M186 HydrophobicContact CD1-SD 3.47Å; I11-M186 WeakPolarHBondContact CD1-SD 3.41Å; M94-M186 HydrophobicContact CE-CE 3.75Å; M94-M186 HydrophobicContact CE-CG 4.15Å; M94-M186 HydrophobicContact CE-SD 3.25Å; M94-M186 WeakPolarHBondContact CE-SD 3.36Å; V182-M186 HydrophobicContact CG1-SD 4.22Å; V182-M186 VanDerWaalsContact O-CG 3.32Å; V182-M186 WeakPolarHBondContact O-CG 3.48Å; V182-M186 PolarHBondContact O-N 3.12Å; M183-M186 WeakPolarHBondContact O-CB 3.36Å; M183-M186 PolarHBondContact O-N 2.85Å; M183-M186 VanDerWaalsContact O-N 3.11Å; R184-M186 VanDerWaalsContact C-N 3.31Å; R184-M186 PolarHBondContact O-N 3.03Å; M186-N189 PolarHBondContact O-N 3.3Å; M186-T190 PolarHBondContact O-N 3.46Å; M186-T190 VanDerWaalsContact O-N 3.15Å; M186-T190 PolarHBondContact O-OG1 3.19Å |
| 187 | E | 82.9 | Confident | 71.8 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 175.4 | -71.1 | 172.9 | 172.5 | 0 | 0 | 111 | M183 R184 N189 T190 E191 | M183-E187 WeakPolarHBondContact O-CG 3.48Å; M183-E187 PolarHBondContact O-N 3.28Å; R184-E187 PolarHBondContact O-N 3.48Å; E187-N189 VanDerWaalsContact C-N 3.32Å; E187-N189 PolarHBondContact O-N 3.14Å; E187-T190 WeakPolarHBondContact O-CB 3.22Å; E187-T190 PolarHBondContact O-N 3.27Å; E187-E191 PolarHBondContact O-N 3.44Å; E187-E191 VanDerWaalsContact O-N 3.14Å |
| 188 | Q | 80.8 | Confident | 68.8 | Low | 139 Ų | 139 | 80.7 Ų | 80.7 | 65% | 0.65 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.2 | -37.6 | 178.4 | -71.3 | 171.3 | 2.9 | 0 | 0 | 113.3 | R184 T190 E191 | R184-Q188 VanDerWaalsContact O-CG 3.29Å; R184-Q188 WeakPolarHBondContact O-CG 3.41Å; R184-Q188 PolarHBondContact O-N 3.15Å; Q188-T190 VanDerWaalsContact C-N 3.28Å; Q188-T190 PolarHBondContact O-N 3.34Å; Q188-E191 PolarHBondContact O-N 2.98Å |
| 189 | N | 72.9 | Confident | 65.6 | Low | 125 Ų | 125 | 88.7 Ų | 88.7 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.1 | -21.4 | 176.5 | -73.5 | -24.2 | 0 | 0 | 0 | 113 | R185 M186 E187 | R185-N189 WeakPolarHBondContact O-CB 3.18Å; R185-N189 PolarHBondContact O-N 2.83Å; R185-N189 VanDerWaalsContact O-N 3.08Å; R185-N189 PolarHBondContact O-ND2 2.97Å; M186-N189 PolarHBondContact O-N 3.3Å; E187-N189 VanDerWaalsContact C-N 3.32Å; E187-N189 PolarHBondContact O-N 3.14Å |
| 190 | T | 64.4 | Low | 62.4 | Low | 119 Ų | 119 | 91.8 Ų | 91.8 | 73% | 0.73 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -83.4 | -25.6 | 177.1 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | M186 E187 Q188 | M186-T190 PolarHBondContact O-N 3.46Å; M186-T190 VanDerWaalsContact O-N 3.15Å; M186-T190 PolarHBondContact O-OG1 3.19Å; E187-T190 WeakPolarHBondContact O-CB 3.22Å; E187-T190 PolarHBondContact O-N 3.27Å; Q188-T190 VanDerWaalsContact C-N 3.28Å; Q188-T190 PolarHBondContact O-N 3.34Å |
| 191 | E | 54.2 | Low | 59.3 | Low | 166 Ų | 166 | 96 Ų | 96 | 78% | 0.776 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -96.2 | 15.8 | 179 | -63.5 | -170.2 | 162.5 | 0 | 0 | 114.6 | E187 Q188 | E187-E191 PolarHBondContact O-N 3.44Å; E187-E191 VanDerWaalsContact O-N 3.14Å; Q188-E191 PolarHBondContact O-N 2.98Å |
| 192 | G | 38.3 | Very low | 56.4 | Low | 41 Ų | 41 | 98.2 Ų | 98.2 | 42% | 0.423 | 59% | 0.594 | S | S | . | * | trans | -57.9 | 152.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V194 | G192-V194 PolarHBondContact O-N 3.4Š| ||
| 193 | P | 37.4 | Very low | 53.5 | Low | 126 Ų | 126 | 104.5 Ų | 104.5 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -60.5 | 124.6 | -160.5 | 25.1 | -32.8 | 0 | 0 | 0 | 111.2 | S195 | P193-S195 PolarHBondContact O-N 2.91Š| ||
| 194 | V | 39.9 | Very low | 50.7 | Low | 138 Ų | 138 | 111.3 Ų | 111.3 | 84% | 0.836 | 67% | 0.667 | S | S | * | * | trans | -57.9 | 97 | 158.3 | -176.8 | 0 | 0 | 0 | 0 | 105.9 | G192 E196 | G192-V194 PolarHBondContact O-N 3.4Å; V194-E196 PolarHBondContact O-N 3.17Å | ||
| 195 | S | 34.7 | Very low | 47.9 | Very low | 103 Ų | 103 | 113.9 Ų | 113.9 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | trans | -61.2 | 107.9 | 165.7 | 58.7 | 0 | 0 | 0 | 0 | 106.2 | P193 A197 | P193-S195 PolarHBondContact O-N 2.91Å; S195-A197 PolarHBondContact O-N 2.95Å | ||
| 196 | E | 32.1 | Very low | 45.1 | Very low | 187 Ų | 187 | 120.2 Ų | 120.2 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -48.1 | 107.4 | 168.1 | -74 | 179.4 | 144.2 | 0 | 0 | 108.2 | V194 A198 | V194-E196 PolarHBondContact O-N 3.17Å; E196-A198 VanDerWaalsContact C-N 3.29Å; E196-A198 PolarHBondContact O-N 2.89Å | ||
| 197 | A | 33.8 | Very low | 42.4 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -66 | 94.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | S195 N199 | S195-A197 PolarHBondContact O-N 2.95Å; A197-N199 PolarHBondContact O-N 3.35Å | ||
| 198 | A | 34.5 | Very low | 40 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | -63.1 | 124.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109 | E196 | E196-A198 VanDerWaalsContact C-N 3.29Å; E196-A198 PolarHBondContact O-N 2.89Å | ||
| 199 | N | 31.1 | Very low | 37.6 | Very low | 168 Ų | 168 | 127 Ų | 127 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -36.5 | 136.6 | 169.1 | -79.1 | -37.8 | 0 | 0 | 0 | 114.1 | A197 | A197-N199 PolarHBondContact O-N 3.35Š| ||
| 200 | G | 30 | Very low | 35.7 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -178.3 | 63.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 201 | S | 30.6 | Very low | 34.1 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 35.3 | 120.8 | 144.5 | -49.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 202 | A | 32.8 | Very low | 33.2 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -47.1 | 132.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 203 | V | 33.1 | Very low | 33 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -134.1 | 108.7 | 149.2 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 204 | I | 34.6 | Very low | 32.9 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -71.1 | 133 | 166 | -64.7 | 166.8 | 0 | 0 | 0 | 107.2 | ||||
| 205 | N | 31.6 | Very low | 32.7 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -145.3 | 120.1 | 148.2 | -98.4 | -22.6 | 0 | 0 | 0 | 110.7 | ||||
| 206 | K | 31.8 | Very low | 32.8 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -105.6 | 138.1 | 178.1 | -125.9 | -165.9 | 177.8 | 178.2 | 0 | 108.5 | ||||
| 207 | V | 29.7 | Very low | 32.9 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | trans | 72.4 | 123.9 | 147.9 | -169.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 208 | A | 31.5 | Very low | 33.2 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | -148.3 | 114.1 | 128.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 209 | E | 31.3 | Very low | 33.2 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -67.5 | 148.4 | 161.8 | -67.6 | 173.1 | 146 | 0 | 0 | 109.7 | ||||
| 210 | T | 32.4 | Very low | 33.3 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 85% | 0.847 | 83% | 0.834 | S | S | * | * | trans | -152.3 | 112.3 | 142.4 | -9.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 211 | S | 31.6 | Very low | 33.5 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 84% | 0.841 | S | S | * | * | trans | -66.7 | 135 | 164 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 212 | T | 34.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | trans | -146.2 | 115.8 | 150.7 | 22 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 213 | S | 33.9 | Very low | 33.7 | Very low | 101 Ų | 101 | 147.5 Ų | 147.5 | 71% | 0.706 | 84% | 0.844 | S | S | * | * | trans | -75.5 | 158.3 | 169.2 | 73.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 214 | R | 34.7 | Very low | 33.7 | Very low | 229 Ų | 229 | 148.5 Ų | 148.5 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | trans | 131.6 | 144.5 | 148.7 | -76.4 | 174.2 | -145.5 | -173.3 | 8.5 | 109.5 | ||||
| 215 | K | 36.7 | Very low | 33.7 | Very low | 198 Ų | 198 | 148.8 Ų | 148.8 | 86% | 0.861 | 85% | 0.854 | S | S | * | * | cis | -169.6 | 159.8 | -13.1 | -118.2 | -178.5 | 176.3 | -175 | 0 | 105.1 | ||||
| 216 | C | 35.5 | Very low | 33.8 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 87% | 0.865 | 85% | 0.853 | S | S | * | * | trans | -67 | 167.9 | -178.6 | -58.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 217 | A | 35.3 | Very low | 34 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 78% | 0.777 | 86% | 0.857 | S | S | * | * | trans | 87.8 | 116.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 218 | C | 40.6 | Very low | 34.4 | Very low | 208 Ų | 208 | 147.2 Ų | 147.2 | 100% | 1.405 | 87% | 0.871 | S | S | * | * | -152.2 | 0 | 98 | -89.1 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 218 of 218 residues in 154 ms
(Link to these results)