| 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 | 48.1 | Very low | 86.8 | Confident | 157 Ų | 157 | 30.9 Ų | 30.9 | 77% | 0.773 | 15% | 0.154 | S | C | * | . | 0 | 119.2 | 0 | -165.8 | -178.8 | -139.2 | 0 | 0 | 104.5 | K100 | M1-K100 HydrophobicContact CE-CD 4.48Å; M1-K100 VanDerWaalsContact SD-CE 3.57Å | |||
| 2 | C | 62.7 | Low | 87.6 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.034 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 139.3 | -175.5 | -153.9 | 0 | 0 | 0 | 0 | 109.1 | A101 | C2-A101 WeakPolarHBondContact CB-O 3.23Š|
| 3 | D | 75.8 | Confident | 88.3 | Confident | 60 Ų | 60 | 27.7 Ų | 27.7 | 32% | 0.321 | 14% | 0.136 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 168.6 | -179.1 | -61.2 | -31.6 | 0 | 0 | 0 | 110.7 | L5 L142 R149 | D3-L5 VanDerWaalsContact O-CD1 3.27Å; D3-L5 WeakPolarHBondContact O-CD1 3.36Å; D3-L5 PolarHBondContact O-N 3.34Å; D3-L142 HydrophobicContact CB-CD2 3.99Å; D3-R149 IonicContact OD1-CZ 3.58Å; D3-R149 IonicContact OD1-NH1 3.6Å; D3-R149 PolarHBondContact OD1-NH1 3.1Å; D3-R149 VanDerWaalsContact OD1-NH1 3.07Å; D3-R149 IonicContact OD1-NH2 2.83Å; D3-R149 IonicContact OD2-NH1 2.57Å; D3-R149 IonicContact OD2-NH2 2.88Å |
| 4 | Q | 88.7 | Confident | 88.7 | Confident | 98 Ų | 98 | 31.5 Ų | 31.5 | 46% | 0.458 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 126.7 | -176.6 | -66.2 | 171.5 | -35.1 | 0 | 0 | 110.9 | Q98 E122 | Q4-Q98 HydrophobicContact CB-CG 3.97Å; Q4-Q98 HydrophobicContact CG-CG 4.42Å; Q4-E122 WeakPolarHBondContact CG-OE2 3.44Å; Q4-E122 VanDerWaalsContact NE2-CD 3.3Å; Q4-E122 PolarHBondContact NE2-OE2 3.05Å |
| 5 | L | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.2 | -178.4 | -54.4 | 104.6 | 0 | 0 | 0 | 111.3 | D3 L7 I99 A101 I104 L116 M134 F139 | D3-L5 VanDerWaalsContact O-CD1 3.27Å; D3-L5 WeakPolarHBondContact O-CD1 3.36Å; D3-L5 PolarHBondContact O-N 3.34Å; L5-L7 HydrophobicContact CB-CD1 4.12Å; L5-L7 HydrophobicContact CB-CD2 4.35Å; L5-L7 HydrophobicContact CB-CG 3.96Å; L5-L7 PolarHBondContact O-N 2.83Å; L5-I99 HydrophobicContact CB-CB 4.48Å; L5-I99 WeakPolarHBondContact CD1-O 3.27Å; L5-I99 PolarHBondContact N-O 3.15Å; L5-I99 PolarHBondContact O-N 3.1Å; L5-A101 HydrophobicContact CD1-CB 4.41Å; L5-I104 HydrophobicContact CD2-CD1 4.33Å; L5-L116 HydrophobicContact CD1-CD2 4.38Å; L5-L116 HydrophobicContact CD2-CD2 4.25Å; L5-M134 HydrophobicContact CB-CE 4.17Å; L5-M134 HydrophobicContact CB-SD 4.27Å; L5-M134 HydrophobicContact CD2-SD 4.09Å; L5-M134 HydrophobicContact CG-CE 4.47Å; L5-M134 HydrophobicContact CG-SD 4.5Å; L5-F139 HydrophobicContact CD2-CD2 3.72Å; L5-F139 HydrophobicContact CD2-CE2 3.72Å |
| 6 | D | 97 | Very high | 88.7 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 94.9 | 175.3 | -73.7 | -33 | 0 | 0 | 0 | 110.6 | I96 R125 K128 M134 | D6-I96 HydrophobicContact CB-CG2 3.8Å; D6-R125 IonicContact OD1-CZ 3.77Å; D6-R125 IonicContact OD1-NH1 2.62Å; D6-R125 PolarHBondContact OD1-NH1 2.95Å; D6-R125 IonicContact OD2-CZ 3.36Å; D6-R125 IonicContact OD2-NH1 3.84Å; D6-R125 PolarHBondContact OD2-NH1 3.09Å; D6-K128 IonicContact OD2-NZ 2.61Å; D6-K128 PolarHBondContact OD2-NZ 3.35Å; D6-M134 WeakPolarHBondContact O-CB 3.46Å; D6-M134 PolarHBondContact O-N 3.44Å |
| 7 | L | 97.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 143 | -172.4 | -59.3 | 177.8 | 0 | 0 | 0 | 111.9 | L5 L28 V30 I96 L97 I99 L116 M134 | L5-L7 HydrophobicContact CB-CD1 4.12Å; L5-L7 HydrophobicContact CB-CD2 4.35Å; L5-L7 HydrophobicContact CB-CG 3.96Å; L5-L7 PolarHBondContact O-N 2.83Å; L7-L28 HydrophobicContact CB-CB 4.11Å; L7-L28 HydrophobicContact CB-CD1 4.48Å; L7-L28 HydrophobicContact CB-CD2 4.23Å; L7-L28 HydrophobicContact CD1-CB 4.19Å; L7-L28 HydrophobicContact CD1-CD1 3.99Å; L7-V30 HydrophobicContact CD2-CG1 3.47Å; L7-V30 VanDerWaalsContact CD2-CG1 3.47Å; L7-I96 WeakPolarHBondContact O-CA 3.24Å; L7-L97 PolarHBondContact N-O 2.98Å; L7-L97 PolarHBondContact O-N 3.21Å; L7-I99 HydrophobicContact CB-CG1 4.36Å; L7-I99 HydrophobicContact CD1-CB 4.36Å; L7-I99 HydrophobicContact CD1-CG1 4.13Å; L7-I99 HydrophobicContact CG-CG1 4.45Å; L7-L116 HydrophobicContact CD1-CD1 3.78Å; L7-M134 HydrophobicContact CD2-CB 4.35Å; L7-M134 HydrophobicContact CD2-SD 4.39Å |
| 8 | L | 97.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 137.7 | 180 | -172 | 68.3 | 0 | 0 | 0 | 111.1 | V10 L28 A29 F43 P91 I96 W130 C133 | L8-V10 HydrophobicContact CD2-CG1 4.14Å; L8-V10 HydrophobicContact CG-CG1 4.28Å; L8-L28 CarbonylContact O-C 3.47Å; L8-L28 WeakPolarHBondContact O-CA 3.44Å; L8-A29 PolarHBondContact N-O 2.72Å; L8-A29 PolarHBondContact O-N 3.44Å; L8-F43 HydrophobicContact CD2-CD1 3.78Å; L8-F43 HydrophobicContact CD2-CE1 3.39Å; L8-F43 HydrophobicContact CD2-CE2 4.25Å; L8-F43 HydrophobicContact CD2-CG 4.37Å; L8-F43 HydrophobicContact CD2-CZ 3.66Å; L8-P91 HydrophobicContact CD2-CB 4.09Å; L8-I96 HydrophobicContact CD1-CG1 3.93Å; L8-W130 HydrophobicContact CD1-CB 3.86Å; L8-C133 HydrophobicContact CB-CB 3.96Å |
| 9 | V | 97.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.3 | 169.1 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | F26 L28 L65 I89 S94 V95 L97 | V9-F26 HydrophobicContact CG1-CB 4.03Å; V9-F26 HydrophobicContact CG1-CD1 3.83Å; V9-F26 HydrophobicContact CG1-CG 4.24Å; V9-F26 HydrophobicContact CG2-CB 4.27Å; V9-L28 HydrophobicContact CG2-CD2 4.19Å; V9-L65 HydrophobicContact CG1-CD1 4.21Å; V9-L65 HydrophobicContact CG1-CD2 4.49Å; V9-I89 HydrophobicContact CG1-CD1 3.74Å; V9-S94 WeakPolarHBondContact CB-OG 3.1Å; V9-S94 WeakPolarHBondContact O-CB 3.1Å; V9-S94 PolarHBondContact O-OG 2.78Å; V9-V95 HydrophobicContact CG2-CG1 4.35Å; V9-V95 PolarHBondContact N-O 3.03Å; V9-V95 VanDerWaalsContact N-O 3.13Å; V9-L97 HydrophobicContact CG2-CD1 3.44Å; V9-L97 VanDerWaalsContact CG2-CD1 3.44Å; V9-L97 HydrophobicContact CG2-CG 3.69Å |
| 10 | V | 97.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -10.2 | -177.9 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | L8 M27 A29 F43 W77 L78 Y88 I89 | L8-V10 HydrophobicContact CD2-CG1 4.14Å; L8-V10 HydrophobicContact CG-CG1 4.28Å; V10-M27 HydrophobicContact CG2-CB 4.2Å; V10-M27 HydrophobicContact CG2-CG 3.84Å; V10-M27 HydrophobicContact CG2-SD 4.16Å; V10-M27 PolarHBondContact N-O 2.89Å; V10-A29 HydrophobicContact CB-CB 4.3Å; V10-A29 HydrophobicContact CG1-CB 3.58Å; V10-A29 HydrophobicContact CG2-CB 3.74Å; V10-F43 HydrophobicContact CG1-CB 4.39Å; V10-W77 HydrophobicContact CB-CH2 4.28Å; V10-W77 HydrophobicContact CB-CZ3 4.08Å; V10-W77 HydrophobicContact CG1-CH2 4.5Å; V10-W77 HydrophobicContact CG1-CZ3 3.97Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CB-CD2 4.12Å; V10-L78 HydrophobicContact CG1-CD1 4.19Å; V10-L78 HydrophobicContact CG2-CD1 3.8Å; V10-L78 HydrophobicContact CG2-CD2 3.99Å; V10-Y88 WeakPolarHBondContact O-CA 3.39Å; V10-I89 PolarHBondContact O-N 3.49Å |
| 11 | G | 96.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F26 M27 V87 | G11-F26 CarbonylContact O-C 3.41Å; G11-F26 WeakPolarHBondContact O-CA 3.31Å; G11-M27 PolarHBondContact O-N 2.85Å; G11-V87 CarbonylContact C-O 3.45Å; G11-V87 WeakPolarHBondContact CA-O 3.5Å |
| 12 | G | 96.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 164.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H25 E86 V87 | G12-H25 CarbonylContact C-O 3.53Å; G12-H25 VanDerWaalsContact CA-O 3.32Å; G12-H25 WeakPolarHBondContact CA-O 3.44Å; G12-E86 PolarHBondContact O-N 3.42Å; G12-V87 PolarHBondContact N-O 3.38Å; G12-V87 PolarHBondContact O-N 3.45Å |
| 13 | Y | 96.2 | Very high | 90.4 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 8% | 0.078 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.6 | 172.9 | -49 | -99.9 | 0 | 0 | 0 | 107.8 | L23 S24 H25 M27 K48 K84 E86 | Y13-L23 WeakPolarHBondContact O-CA 3.41Å; Y13-S24 PolarHBondContact O-N 3.27Å; Y13-H25 HydrophobicContact CD2-CB 3.78Å; Y13-H25 HydrophobicContact CG-CB 4.29Å; Y13-H25 PolarHBondContact N-O 2.9Å; Y13-H25 PolarHBondContact O-N 2.74Å; Y13-M27 HydrophobicContact CE2-CB 4.2Å; Y13-M27 WeakPolarHBondContact OH-CE 3.43Å; Y13-K48 HydrophobicContact CD2-CD 4.36Å; Y13-K48 HydrophobicContact CE1-CD 4.33Å; Y13-K48 HydrophobicContact CE2-CD 3.63Å; Y13-K48 HydrophobicContact CE2-CG 3.98Å; Y13-K48 WeakPolarHBondContact OH-CE 2.98Å; Y13-K48 PolarHBondContact OH-NZ 3Å; Y13-K84 VanDerWaalsContact CE1-O 3.31Å; Y13-K84 WeakPolarHBondContact CE1-O 3.05Å; Y13-K84 PolarHBondContact OH-O 3.33Å; Y13-E86 HydrophobicContact CD1-CG 4.17Å |
| 14 | F | 94.3 | Very high | 91.2 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 144.4 | 178.6 | -70.3 | -75 | 0 | 0 | 0 | 110.8 | L23 E86 V87 | F14-L23 HydrophobicContact CD1-CD2 3.88Å; F14-L23 HydrophobicContact CD2-CD2 4.41Å; F14-L23 HydrophobicContact CE1-CD2 3.78Å; F14-L23 HydrophobicContact CE2-CD2 4.32Å; F14-L23 HydrophobicContact CG-CD2 4.19Å; F14-L23 HydrophobicContact CZ-CD2 4.01Å; F14-E86 VanDerWaalsContact CD2-OE2 3.24Å; F14-E86 WeakPolarHBondContact CD2-OE2 3.38Å; F14-E86 PolarHBondContact N-OE2 3.12Å; F14-V87 HydrophobicContact CE2-CG1 3.86Å; F14-V87 HydrophobicContact CE2-CG2 4.46Å; F14-V87 HydrophobicContact CZ-CG1 4.18Å |
| 15 | G | 90.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | trans | -67.1 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S20 L22 S24 | G15-S20 WeakPolarHBondContact O-CA 3.31Å; G15-L22 PolarHBondContact N-O 2.69Å; G15-S24 WeakPolarHBondContact CA-OG 3.19Å | ||
| 16 | T | 86.8 | Confident | 91.6 | Very high | 133 Ų | 133 | 40.2 Ų | 40.2 | 82% | 0.816 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -111 | 157.1 | 171.1 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 17 | G | 87.3 | Confident | 91.7 | Very high | 49 Ų | 49 | 39.3 Ų | 39.3 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | 66.5 | -131.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R19 S20 | G17-R19 PolarHBondContact O-N 2.85Å; G17-R19 VanDerWaalsContact O-N 3.08Å; G17-S20 VanDerWaalsContact O-CB 3.3Å; G17-S20 WeakPolarHBondContact O-CB 3.29Å; G17-S20 PolarHBondContact O-N 3.45Å; G17-S20 VanDerWaalsContact O-N 3.09Å; G17-S20 PolarHBondContact O-OG 3.18Å |
| 18 | R | 72.1 | Confident | 91.7 | Very high | 126 Ų | 126 | 39.3 Ų | 39.3 | 48% | 0.475 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -60.3 | -18.4 | -176.4 | -81.9 | -174.7 | 178.6 | -176.7 | 1.3 | 114.7 | T240 V241 Q244 | R18-T240 VanDerWaalsContact NH2-C 3.25Å; R18-T240 PolarHBondContact NH2-O 3.02Å; R18-V241 HydrophobicContact CG-CG1 3.9Å; R18-V241 VanDerWaalsContact NE-CA 3.34Å; R18-Q244 VanDerWaalsContact NH2-CD 3.3Å |
| 19 | R | 76 | Confident | 91.7 | Very high | 107 Ų | 107 | 39.3 Ų | 39.3 | 40% | 0.404 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -111.6 | 22.4 | -179.6 | -61.1 | -176 | -173.7 | 154 | 2.9 | 111.9 | G17 S21 L22 | G17-R19 PolarHBondContact O-N 2.85Å; G17-R19 VanDerWaalsContact O-N 3.08Å; R19-S21 PolarHBondContact O-N 2.93Å; R19-L22 HydrophobicContact CB-CD1 4.36Å; R19-L22 HydrophobicContact CG-CD1 4.37Å; R19-L22 PolarHBondContact O-N 3.08Å; R19-L22 VanDerWaalsContact O-O 3.13Å |
| 20 | S | 83.2 | Confident | 91.7 | Very high | 72 Ų | 72 | 39.3 Ų | 39.3 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.6 | -179.8 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | G15 G17 L22 | G15-S20 WeakPolarHBondContact O-CA 3.31Å; G17-S20 VanDerWaalsContact O-CB 3.3Å; G17-S20 WeakPolarHBondContact O-CB 3.29Å; G17-S20 PolarHBondContact O-N 3.45Å; G17-S20 VanDerWaalsContact O-N 3.09Å; G17-S20 PolarHBondContact O-OG 3.18Å; S20-L22 VanDerWaalsContact C-N 3.33Å |
| 21 | S | 85.8 | Confident | 91.7 | Very high | 94 Ų | 94 | 39.4 Ų | 39.4 | 66% | 0.657 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.4 | 175.1 | 61.4 | 0 | 0 | 0 | 0 | 114 | R19 | R19-S21 PolarHBondContact O-N 2.93Š|
| 22 | L | 91.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 40 Ų | 40 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -108.4 | 145.1 | -175.6 | -59.5 | 171.3 | 0 | 0 | 0 | 110.2 | G15 R19 S20 S24 Y59 N62 | G15-L22 PolarHBondContact N-O 2.69Å; R19-L22 HydrophobicContact CB-CD1 4.36Å; R19-L22 HydrophobicContact CG-CD1 4.37Å; R19-L22 PolarHBondContact O-N 3.08Å; R19-L22 VanDerWaalsContact O-O 3.13Å; S20-L22 VanDerWaalsContact C-N 3.33Å; L22-S24 PolarHBondContact O-N 3.16Å; L22-Y59 HydrophobicContact CD1-CD1 3.86Å; L22-Y59 HydrophobicContact CD1-CE1 3.33Å; L22-Y59 HydrophobicContact CD2-CD1 4.24Å; L22-Y59 HydrophobicContact CD2-CE1 4.2Å; L22-Y59 HydrophobicContact CG-CE1 4.35Å; L22-N62 HydrophobicContact CD2-CB 4.15Å |
| 23 | L | 94 | Very high | 91.6 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 119 | 166.6 | -59.3 | 177.7 | 0 | 0 | 0 | 108.5 | Y13 F14 F26 L58 N62 L70 V87 I89 | Y13-L23 WeakPolarHBondContact O-CA 3.41Å; F14-L23 HydrophobicContact CD1-CD2 3.88Å; F14-L23 HydrophobicContact CD2-CD2 4.41Å; F14-L23 HydrophobicContact CE1-CD2 3.78Å; F14-L23 HydrophobicContact CE2-CD2 4.32Å; F14-L23 HydrophobicContact CG-CD2 4.19Å; F14-L23 HydrophobicContact CZ-CD2 4.01Å; L23-F26 HydrophobicContact CB-CD1 4.45Å; L23-F26 HydrophobicContact CB-CE1 3.6Å; L23-F26 HydrophobicContact CB-CZ 4.02Å; L23-F26 HydrophobicContact CD1-CE1 4.23Å; L23-F26 WeakPolarHBondContact O-CZ 3.33Å; L23-L58 VanDerWaalsContact O-CD1 3.31Å; L23-L58 WeakPolarHBondContact O-CD1 3.33Å; L23-N62 WeakPolarHBondContact CB-OD1 3.15Å; L23-N62 PolarHBondContact N-OD1 3.13Å; L23-N62 PolarHBondContact O-ND2 3.49Å; L23-L70 HydrophobicContact CD1-CD1 4.38Å; L23-V87 HydrophobicContact CD1-CG2 4.19Å; L23-V87 HydrophobicContact CD2-CG2 3.62Å; L23-I89 HydrophobicContact CD1-CD1 4.31Å |
| 24 | S | 93.2 | Very high | 91.5 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -14.9 | -179.2 | 77.4 | 0 | 0 | 0 | 0 | 113.3 | Y13 G15 L22 Y53 | Y13-S24 PolarHBondContact O-N 3.27Å; G15-S24 WeakPolarHBondContact CA-OG 3.19Å; L22-S24 PolarHBondContact O-N 3.16Å; S24-Y53 PolarHBondContact O-OH 3.46Å |
| 25 | H | 95.9 | Very high | 91.4 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 40% | 0.403 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.1 | 170.9 | -58.2 | -87 | 0 | 0 | 0 | 108.6 | G12 Y13 V49 G50 | G12-H25 CarbonylContact C-O 3.53Å; G12-H25 VanDerWaalsContact CA-O 3.32Å; G12-H25 WeakPolarHBondContact CA-O 3.44Å; Y13-H25 HydrophobicContact CD2-CB 3.78Å; Y13-H25 HydrophobicContact CG-CB 4.29Å; Y13-H25 PolarHBondContact N-O 2.9Å; Y13-H25 PolarHBondContact O-N 2.74Å; H25-V49 CarbonylContact C-O 3.5Å; H25-V49 VanDerWaalsContact CA-O 3.28Å; H25-V49 WeakPolarHBondContact CA-O 3.24Å; H25-G50 VanDerWaalsContact ND1-CA 3.3Å; H25-G50 WeakPolarHBondContact ND1-CA 3.43Å |
| 26 | F | 97.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.4 | -177.1 | -58.2 | -75 | 0 | 0 | 0 | 110.3 | V9 G11 L23 K48 V49 Y53 L58 L61 L65 | V9-F26 HydrophobicContact CG1-CB 4.03Å; V9-F26 HydrophobicContact CG1-CD1 3.83Å; V9-F26 HydrophobicContact CG1-CG 4.24Å; V9-F26 HydrophobicContact CG2-CB 4.27Å; G11-F26 CarbonylContact O-C 3.41Å; G11-F26 WeakPolarHBondContact O-CA 3.31Å; L23-F26 HydrophobicContact CB-CD1 4.45Å; L23-F26 HydrophobicContact CB-CE1 3.6Å; L23-F26 HydrophobicContact CB-CZ 4.02Å; L23-F26 HydrophobicContact CD1-CE1 4.23Å; L23-F26 WeakPolarHBondContact O-CZ 3.33Å; F26-K48 CarbonylContact O-C 3.48Å; F26-K48 VanDerWaalsContact O-CA 3.24Å; F26-K48 WeakPolarHBondContact O-CA 3.34Å; F26-V49 HydrophobicContact CB-CG1 4.22Å; F26-V49 PolarHBondContact N-O 3.06Å; F26-V49 PolarHBondContact O-N 3.34Å; F26-Y53 HydrophobicContact CD2-CE1 4.27Å; F26-Y53 HydrophobicContact CE2-CE1 4.03Å; F26-L58 HydrophobicContact CE2-CD1 3.81Å; F26-L58 HydrophobicContact CZ-CD1 3.86Å; F26-L61 HydrophobicContact CD2-CD2 4.05Å; F26-L61 HydrophobicContact CE1-CD2 4.05Å; F26-L61 HydrophobicContact CE1-CG 4.45Å; F26-L61 HydrophobicContact CE2-CD2 3.39Å; F26-L61 HydrophobicContact CE2-CG 4.5Å; F26-L61 HydrophobicContact CZ-CD2 3.4Å; F26-L61 HydrophobicContact CZ-CG 4.05Å; F26-L65 HydrophobicContact CD1-CD1 4.02Å; F26-L65 HydrophobicContact CE1-CD1 3.54Å; F26-L65 HydrophobicContact CZ-CD1 4.36Å |
| 27 | M | 97.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.6 | 168.3 | -177.5 | 179.3 | -77.1 | 0 | 0 | 108.9 | V10 G11 Y13 L78 T80 E83 A85 | V10-M27 HydrophobicContact CG2-CB 4.2Å; V10-M27 HydrophobicContact CG2-CG 3.84Å; V10-M27 HydrophobicContact CG2-SD 4.16Å; V10-M27 PolarHBondContact N-O 2.89Å; G11-M27 PolarHBondContact O-N 2.85Å; Y13-M27 HydrophobicContact CE2-CB 4.2Å; Y13-M27 WeakPolarHBondContact OH-CE 3.43Å; M27-L78 HydrophobicContact SD-CD2 4.41Å; M27-T80 HydrophobicContact CE-CG2 4.48Å; M27-T80 HydrophobicContact SD-CG2 4.05Å; M27-E83 HydrophobicContact CE-CG 4.24Å; M27-A85 HydrophobicContact CB-CB 4.4Å; M27-A85 HydrophobicContact CE-CB 4.06Å; M27-A85 HydrophobicContact SD-CB 4.41Å |
| 28 | L | 98.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.6 | -177.5 | -60.7 | 172.1 | 0 | 0 | 0 | 110.8 | L7 L8 V9 V46 G47 V49 L97 I99 | L7-L28 HydrophobicContact CB-CB 4.11Å; L7-L28 HydrophobicContact CB-CD1 4.48Å; L7-L28 HydrophobicContact CB-CD2 4.23Å; L7-L28 HydrophobicContact CD1-CB 4.19Å; L7-L28 HydrophobicContact CD1-CD1 3.99Å; L8-L28 CarbonylContact O-C 3.47Å; L8-L28 WeakPolarHBondContact O-CA 3.44Å; V9-L28 HydrophobicContact CG2-CD2 4.19Å; L28-V46 PolarHBondContact O-N 3.48Å; L28-G47 PolarHBondContact N-O 3.34Å; L28-V49 HydrophobicContact CD1-CB 3.88Å; L28-V49 HydrophobicContact CD1-CG1 3.76Å; L28-V49 HydrophobicContact CD2-CG1 4Å; L28-V49 HydrophobicContact CG-CG1 4.01Å; L28-L97 HydrophobicContact CD2-CD1 4.23Å; L28-I99 HydrophobicContact CD1-CD1 3.98Å; L28-I99 HydrophobicContact CD1-CG1 3.74Å |
| 29 | A | 98.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 159.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L8 V10 F43 L44 L78 | L8-A29 PolarHBondContact N-O 2.72Å; L8-A29 PolarHBondContact O-N 3.44Å; V10-A29 HydrophobicContact CB-CB 4.3Å; V10-A29 HydrophobicContact CG1-CB 3.58Å; V10-A29 HydrophobicContact CG2-CB 3.74Å; A29-F43 HydrophobicContact CB-CB 3.95Å; A29-L44 CarbonylContact C-O 3.02Å; A29-L44 WeakPolarHBondContact CA-O 3.37Å; A29-L44 VanDerWaalsContact CB-O 3.25Å; A29-L44 WeakPolarHBondContact CB-O 3.39Å; A29-L78 HydrophobicContact CB-CD1 4.29Å |
| 30 | V | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 157.4 | 167.9 | -67.3 | 0 | 0 | 0 | 0 | 110 | L7 F43 L44 V46 V112 M134 K136 F139 | L7-V30 HydrophobicContact CD2-CG1 3.47Å; L7-V30 VanDerWaalsContact CD2-CG1 3.47Å; V30-F43 CarbonylContact O-C 3.59Å; V30-F43 VanDerWaalsContact O-CA 3.31Å; V30-F43 WeakPolarHBondContact O-CA 3.45Å; V30-L44 HydrophobicContact CG2-CB 3.98Å; V30-L44 PolarHBondContact N-O 3.06Å; V30-L44 PolarHBondContact O-N 3.32Å; V30-V46 HydrophobicContact CB-CG2 4.36Å; V30-V46 HydrophobicContact CG1-CG2 3.78Å; V30-V46 HydrophobicContact CG2-CG2 3.93Å; V30-V112 HydrophobicContact CG2-CG2 3.7Å; V30-M134 WeakPolarHBondContact CA-O 3.5Å; V30-M134 WeakPolarHBondContact CB-O 3.47Å; V30-M134 HydrophobicContact CG1-CG 4.47Å; V30-K136 HydrophobicContact CG2-CB 4.13Å; V30-F139 HydrophobicContact CG1-CB 4.13Å; V30-F139 HydrophobicContact CG1-CD2 4.16Å; V30-F139 HydrophobicContact CG1-CG 4.32Å |
| 31 | L | 97.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133.3 | 173.9 | 177.3 | 65.1 | 0 | 0 | 0 | 110.5 | E33 R36 P41 F43 M134 T135 K136 | L31-E33 PolarHBondContact O-N 3.13Å; L31-R36 HydrophobicContact CD2-CB 4.1Å; L31-R36 HydrophobicContact CD2-CG 3.99Å; L31-P41 HydrophobicContact CD1-CB 3.55Å; L31-P41 HydrophobicContact CD1-CG 4.17Å; L31-F43 HydrophobicContact CB-CD1 4.4Å; L31-F43 HydrophobicContact CB-CE1 4.14Å; L31-F43 HydrophobicContact CD1-CD1 4.39Å; L31-F43 HydrophobicContact CD1-CE1 3.87Å; L31-F43 HydrophobicContact CD1-CZ 4.03Å; L31-M134 PolarHBondContact N-O 2.89Å; L31-T135 HydrophobicContact CB-CG2 4.46Å; L31-T135 HydrophobicContact CD2-CG2 4.33Å; L31-T135 CarbonylContact O-C 3.55Å; L31-T135 VanDerWaalsContact O-CA 3.3Å; L31-T135 WeakPolarHBondContact O-CA 3.12Å; L31-K136 PolarHBondContact O-N 2.68Å |
| 32 | D | 96.8 | Very high | 94 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | trans | -78.1 | 108.6 | 167 | -167.5 | 1.5 | 0 | 0 | 0 | 109 | N34 T35 T42 L44 K136 | D32-N34 PolarHBondContact O-N 2.85Å; D32-N34 PolarHBondContact OD1-ND2 2.84Å; D32-T35 PolarHBondContact O-N 2.85Å; D32-T35 PolarHBondContact O-OG1 3.34Å; D32-T42 WeakPolarHBondContact CB-O 3.16Å; D32-T42 PolarHBondContact N-O 3.34Å; D32-L44 HydrophobicContact CB-CD1 4.31Å; D32-L44 HydrophobicContact CB-CG 4.31Å; D32-K136 IonicContact OD1-NZ 2.9Å; D32-K136 PolarHBondContact OD1-NZ 2.85Å | ||
| 33 | E | 93.6 | Very high | 94.3 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 27% | 0.271 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -53.9 | -29 | -175 | 58.2 | -79.4 | 166.7 | 0 | 0 | 113.9 | L31 T35 R36 T135 K136 A137 | L31-E33 PolarHBondContact O-N 3.13Å; E33-T35 PolarHBondContact O-N 3.35Å; E33-R36 WeakPolarHBondContact O-CB 3.31Å; E33-R36 PolarHBondContact O-N 2.8Å; E33-T135 HydrophobicContact CB-CG2 4.27Å; E33-K136 WeakPolarHBondContact OE1-CE 3.31Å; E33-K136 IonicContact OE1-NZ 2.74Å; E33-K136 PolarHBondContact OE1-NZ 3.44Å; E33-K136 VanDerWaalsContact OE2-CB 3.31Å; E33-K136 WeakPolarHBondContact OE2-CB 3.3Å; E33-K136 PolarHBondContact OE2-N 2.93Å; E33-A137 HydrophobicContact CG-CB 4.48Å; E33-A137 PolarHBondContact OE2-N 3.03Å |
| 34 | N | 93.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 45 Ų | 45 | 66% | 0.658 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -67.3 | -17.8 | -179.9 | -58.4 | -62.9 | 0 | 0 | 0 | 113.9 | D32 | D32-N34 PolarHBondContact O-N 2.85Å; D32-N34 PolarHBondContact OD1-ND2 2.84Å |
| 35 | T | 92.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 44 Ų | 44 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -117.6 | 8.9 | -176.1 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | D32 E33 D37 D38 P41 T42 | D32-T35 PolarHBondContact O-N 2.85Å; D32-T35 PolarHBondContact O-OG1 3.34Å; E33-T35 PolarHBondContact O-N 3.35Å; T35-D37 VanDerWaalsContact C-N 3.28Å; T35-D37 PolarHBondContact O-N 3Å; T35-D38 WeakPolarHBondContact CA-OD2 3.46Å; T35-D38 VanDerWaalsContact CB-OD2 3.23Å; T35-D38 WeakPolarHBondContact CB-OD2 3.38Å; T35-D38 VanDerWaalsContact O-CB 3.31Å; T35-D38 WeakPolarHBondContact O-CB 3.31Å; T35-D38 PolarHBondContact O-N 3.16Å; T35-D38 VanDerWaalsContact O-N 3.1Å; T35-P41 VanDerWaalsContact O-CA 3.29Å; T35-P41 WeakPolarHBondContact O-CA 3.16Å; T35-P41 WeakPolarHBondContact O-CB 3.45Å; T35-T42 WeakPolarHBondContact OG1-CB 3.4Å; T35-T42 PolarHBondContact OG1-N 3.06Å |
| 36 | R | 89.1 | Confident | 94.7 | Very high | 104 Ų | 104 | 39.9 Ų | 39.9 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -42.1 | -173.1 | 171.4 | 179.3 | -80.4 | -169.7 | -10.4 | 112.8 | L31 E33 D38 R131 | L31-R36 HydrophobicContact CD2-CB 4.1Å; L31-R36 HydrophobicContact CD2-CG 3.99Å; E33-R36 WeakPolarHBondContact O-CB 3.31Å; E33-R36 PolarHBondContact O-N 2.8Å; R36-D38 VanDerWaalsContact C-N 3.3Å; R36-R131 PolarHBondContact O-NH1 2.69Å; R36-R131 VanDerWaalsContact O-NH1 3.08Å |
| 37 | D | 88.7 | Confident | 94.7 | Very high | 155 Ų | 155 | 40 Ų | 40 | 83% | 0.829 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.6 | -175.7 | -58.9 | -35.9 | 0 | 0 | 0 | 112.8 | T35 | T35-D37 VanDerWaalsContact C-N 3.28Å; T35-D37 PolarHBondContact O-N 3Å |
| 38 | D | 90.5 | Very high | 94.7 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -67 | 150.6 | 174.6 | -64.6 | -24.8 | 0 | 0 | 0 | 110.6 | T35 R36 Q40 R131 | T35-D38 WeakPolarHBondContact CA-OD2 3.46Å; T35-D38 VanDerWaalsContact CB-OD2 3.23Å; T35-D38 WeakPolarHBondContact CB-OD2 3.38Å; T35-D38 VanDerWaalsContact O-CB 3.31Å; T35-D38 WeakPolarHBondContact O-CB 3.31Å; T35-D38 PolarHBondContact O-N 3.16Å; T35-D38 VanDerWaalsContact O-N 3.1Å; R36-D38 VanDerWaalsContact C-N 3.3Å; D38-Q40 PolarHBondContact O-N 3.05Å; D38-R131 PolarHBondContact O-NH1 2.94Å; D38-R131 PolarHBondContact O-NH2 3.29Å |
| 39 | V | 87.3 | Confident | 94.6 | Very high | 141 Ų | 141 | 43.1 Ų | 43.1 | 86% | 0.855 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -52 | -40.9 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | R131 | V39-R131 PolarHBondContact O-NH2 3.35Š|
| 40 | Q | 88.3 | Confident | 94.5 | Very high | 109 Ų | 109 | 44.5 Ų | 44.5 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -125.1 | 95 | 175.4 | -175.8 | 172.1 | 92 | 0 | 0 | 110.2 | D38 W77 | D38-Q40 PolarHBondContact O-N 3.05Å; Q40-W77 HydrophobicContact CG-CB 3.58Å; Q40-W77 HydrophobicContact CG-CG 4.18Å |
| 41 | P | 94.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | trans | -69.6 | 154.2 | 179.3 | 28.7 | -34.1 | 0 | 0 | 0 | 111.3 | L31 T35 F43 W130 | L31-P41 HydrophobicContact CD1-CB 3.55Å; L31-P41 HydrophobicContact CD1-CG 4.17Å; T35-P41 VanDerWaalsContact O-CA 3.29Å; T35-P41 WeakPolarHBondContact O-CA 3.16Å; T35-P41 WeakPolarHBondContact O-CB 3.45Å; P41-F43 HydrophobicContact CB-CE2 4.46Å; P41-F43 HydrophobicContact CG-CE2 3.83Å; P41-F43 HydrophobicContact CG-CZ 4.01Å; P41-W130 HydrophobicContact CG-CH2 3.93Å; P41-W130 HydrophobicContact CG-CZ3 3.53Å | ||
| 42 | T | 96.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 12% | 0.123 | 27% | 0.272 | C | S | . | . | trans | -88.7 | 134.8 | 176.4 | -62.4 | 0 | 0 | 0 | 0 | 111 | D32 T35 L44 W77 R79 | D32-T42 WeakPolarHBondContact CB-O 3.16Å; D32-T42 PolarHBondContact N-O 3.34Å; T35-T42 WeakPolarHBondContact OG1-CB 3.4Å; T35-T42 PolarHBondContact OG1-N 3.06Å; T42-L44 HydrophobicContact CG2-CD2 4.41Å; T42-W77 CarbonylContact C-O 3.57Å; T42-W77 WeakPolarHBondContact CA-O 3.44Å; T42-R79 HydrophobicContact CG2-CG 3.78Å | ||
| 43 | F | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.9 | 174 | -65.5 | -86.3 | 0 | 0 | 0 | 111 | L8 V10 A29 V30 L31 P41 W77 L78 R79 P91 W130 | L8-F43 HydrophobicContact CD2-CD1 3.78Å; L8-F43 HydrophobicContact CD2-CE1 3.39Å; L8-F43 HydrophobicContact CD2-CE2 4.25Å; L8-F43 HydrophobicContact CD2-CG 4.37Å; L8-F43 HydrophobicContact CD2-CZ 3.66Å; V10-F43 HydrophobicContact CG1-CB 4.39Å; A29-F43 HydrophobicContact CB-CB 3.95Å; V30-F43 CarbonylContact O-C 3.59Å; V30-F43 VanDerWaalsContact O-CA 3.31Å; V30-F43 WeakPolarHBondContact O-CA 3.45Å; L31-F43 HydrophobicContact CB-CD1 4.4Å; L31-F43 HydrophobicContact CB-CE1 4.14Å; L31-F43 HydrophobicContact CD1-CD1 4.39Å; L31-F43 HydrophobicContact CD1-CE1 3.87Å; L31-F43 HydrophobicContact CD1-CZ 4.03Å; P41-F43 HydrophobicContact CB-CE2 4.46Å; P41-F43 HydrophobicContact CG-CE2 3.83Å; P41-F43 HydrophobicContact CG-CZ 4.01Å; F43-W77 AromaticContact CD2-CE3 3.88Å; F43-W77 HydrophobicContact CD2-CE3 3.88Å; F43-W77 HydrophobicContact CD2-CZ3 4.33Å; F43-W77 PolarHBondContact N-O 3.09Å; F43-L78 HydrophobicContact CB-CD1 3.98Å; F43-R79 PolarHBondContact O-N 3.09Å; F43-P91 HydrophobicContact CD2-CG 4.09Å; F43-P91 HydrophobicContact CE2-CB 3.85Å; F43-P91 HydrophobicContact CE2-CG 3.64Å; F43-P91 HydrophobicContact CZ-CB 4.18Å; F43-P91 HydrophobicContact CZ-CG 4.44Å; F43-W130 HydrophobicContact CE2-CE3 4.28Å; F43-W130 AromaticContact CE2-CZ3 3.96Å; F43-W130 HydrophobicContact CE2-CZ3 3.96Å; F43-W130 AromaticContact CZ-CE3 3.73Å; F43-W130 HydrophobicContact CZ-CE3 3.73Å; F43-W130 AromaticContact CZ-CZ3 3.73Å; F43-W130 HydrophobicContact CZ-CZ3 3.73Å |
| 44 | L | 98 | Very high | 93.9 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.8 | 179.6 | -54.4 | 175.5 | 0 | 0 | 0 | 109.5 | A29 V30 D32 T42 R79 A111 V112 K136 | A29-L44 CarbonylContact C-O 3.02Å; A29-L44 WeakPolarHBondContact CA-O 3.37Å; A29-L44 VanDerWaalsContact CB-O 3.25Å; A29-L44 WeakPolarHBondContact CB-O 3.39Å; V30-L44 HydrophobicContact CG2-CB 3.98Å; V30-L44 PolarHBondContact N-O 3.06Å; V30-L44 PolarHBondContact O-N 3.32Å; D32-L44 HydrophobicContact CB-CD1 4.31Å; D32-L44 HydrophobicContact CB-CG 4.31Å; T42-L44 HydrophobicContact CG2-CD2 4.41Å; L44-R79 HydrophobicContact CD2-CB 3.73Å; L44-R79 HydrophobicContact CD2-CG 4.05Å; L44-A111 HydrophobicContact CB-CB 4.41Å; L44-A111 HydrophobicContact CD2-CB 4.48Å; L44-V112 HydrophobicContact CB-CG2 4.02Å; L44-V112 HydrophobicContact CD1-CG2 4.19Å; L44-K136 HydrophobicContact CD1-CB 4.14Å; L44-K136 HydrophobicContact CD1-CD 3.47Å; L44-K136 VanDerWaalsContact CD1-CD 3.47Å; L44-K136 HydrophobicContact CD1-CG 3.96Å |
| 45 | S | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 139.7 | 175.5 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | R79 F110 A111 V112 | S45-R79 PolarHBondContact N-O 3.34Å; S45-R79 VanDerWaalsContact N-O 3.13Å; S45-R79 PolarHBondContact OG-O 3.42Å; S45-F110 WeakPolarHBondContact O-CB 3.27Å; S45-A111 PolarHBondContact O-N 2.85Å; S45-A111 VanDerWaalsContact O-N 3.16Å; S45-A111 WeakPolarHBondContact OG-CB 3.43Å; S45-A111 PolarHBondContact OG-N 2.88Å; S45-V112 PolarHBondContact O-N 3.29Å |
| 46 | V | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | -39.4 | -179.3 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | L28 V30 F110 V112 T115 L116 F139 | L28-V46 PolarHBondContact O-N 3.48Å; V30-V46 HydrophobicContact CB-CG2 4.36Å; V30-V46 HydrophobicContact CG1-CG2 3.78Å; V30-V46 HydrophobicContact CG2-CG2 3.93Å; V46-F110 VanDerWaalsContact O-CD2 3.29Å; V46-F110 WeakPolarHBondContact O-CD2 3.49Å; V46-F110 VanDerWaalsContact O-CG 3.29Å; V46-F110 WeakPolarHBondContact O-CG 3.21Å; V46-V112 HydrophobicContact CG2-CB 4.06Å; V46-V112 HydrophobicContact CG2-CG1 4.12Å; V46-V112 HydrophobicContact CG2-CG2 4.18Å; V46-T115 VanDerWaalsContact O-CA 3.25Å; V46-T115 WeakPolarHBondContact O-CA 3.46Å; V46-T115 WeakPolarHBondContact O-CB 3.3Å; V46-T115 PolarHBondContact O-OG1 2.84Å; V46-L116 HydrophobicContact CG1-CG 4.26Å; V46-F139 HydrophobicContact CG1-CE2 3.62Å; V46-F139 HydrophobicContact CG1-CZ 3.75Å |
| 47 | G | 96.6 | Very high | 94 | Very high | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.8 | -174.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L28 F110 | L28-G47 PolarHBondContact N-O 3.34Å; G47-F110 VanDerWaalsContact CA-CE1 3.49Å |
| 48 | K | 97 | Very high | 94.3 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 148.3 | 171.2 | -54.5 | -175.9 | -165.7 | -163.3 | 0 | 110.2 | Y13 F26 E83 F110 P119 | Y13-K48 HydrophobicContact CD2-CD 4.36Å; Y13-K48 HydrophobicContact CE1-CD 4.33Å; Y13-K48 HydrophobicContact CE2-CD 3.63Å; Y13-K48 HydrophobicContact CE2-CG 3.98Å; Y13-K48 WeakPolarHBondContact OH-CE 2.98Å; Y13-K48 PolarHBondContact OH-NZ 3Å; F26-K48 CarbonylContact O-C 3.48Å; F26-K48 VanDerWaalsContact O-CA 3.24Å; F26-K48 WeakPolarHBondContact O-CA 3.34Å; K48-E83 WeakPolarHBondContact CE-OE1 3.5Å; K48-E83 IonicContact NZ-OE1 3.7Å; K48-E83 PolarHBondContact NZ-OE1 3.41Å; K48-E83 IonicContact NZ-OE2 3.98Å; K48-F110 HydrophobicContact CG-CE1 4.24Å; K48-F110 HydrophobicContact CG-CZ 4.16Å; K48-P119 WeakPolarHBondContact O-CG 3.09Å |
| 49 | V | 97.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.8 | 169.7 | 68.5 | 0 | 0 | 0 | 0 | 110.3 | H25 F26 L28 L97 I99 P119 V121 | H25-V49 CarbonylContact C-O 3.5Å; H25-V49 VanDerWaalsContact CA-O 3.28Å; H25-V49 WeakPolarHBondContact CA-O 3.24Å; F26-V49 HydrophobicContact CB-CG1 4.22Å; F26-V49 PolarHBondContact N-O 3.06Å; F26-V49 PolarHBondContact O-N 3.34Å; L28-V49 HydrophobicContact CD1-CB 3.88Å; L28-V49 HydrophobicContact CD1-CG1 3.76Å; L28-V49 HydrophobicContact CD2-CG1 4Å; L28-V49 HydrophobicContact CG-CG1 4.01Å; V49-L97 HydrophobicContact CG1-CD1 4.21Å; V49-I99 HydrophobicContact CB-CD1 4.38Å; V49-I99 HydrophobicContact CG1-CD1 4.14Å; V49-I99 HydrophobicContact CG2-CD1 4.22Å; V49-P119 HydrophobicContact CG2-CB 4.39Å; V49-V121 HydrophobicContact CG1-CG2 4.04Å; V49-V121 HydrophobicContact CG2-CG2 3.72Å |
| 50 | G | 95.1 | Very high | 94.7 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | trans | -146.9 | 18.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H25 Y53 | H25-G50 VanDerWaalsContact ND1-CA 3.3Å; H25-G50 WeakPolarHBondContact ND1-CA 3.43Å; G50-Y53 VanDerWaalsContact CA-OH 3.25Å; G50-Y53 WeakPolarHBondContact CA-OH 3.31Å; G50-Y53 PolarHBondContact O-OH 3.13Å | ||
| 51 | S | 94.6 | Very high | 94.9 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 33% | 0.329 | 21% | 0.205 | S | C | . | . | trans | -152.7 | 159.5 | -176.1 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | P119 V121 | S51-P119 PolarHBondContact OG-O 2.92Å; S51-V121 PolarHBondContact O-N 3.01Å | ||
| 52 | G | 93.8 | Very high | 94.9 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 45% | 0.454 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 108 | -12.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V121 | G52-V121 CarbonylContact C-O 3.58Å; G52-V121 WeakPolarHBondContact CA-O 3.4Å |
| 53 | Y | 92.1 | Very high | 94.7 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -100.7 | 149.9 | 169.4 | 41.1 | -101.1 | 0 | 0 | 0 | 111.5 | S24 F26 G50 E57 L58 V121 | S24-Y53 PolarHBondContact O-OH 3.46Å; F26-Y53 HydrophobicContact CD2-CE1 4.27Å; F26-Y53 HydrophobicContact CE2-CE1 4.03Å; G50-Y53 VanDerWaalsContact CA-OH 3.25Å; G50-Y53 WeakPolarHBondContact CA-OH 3.31Å; G50-Y53 PolarHBondContact O-OH 3.13Å; Y53-E57 WeakPolarHBondContact CA-OE2 3.25Å; Y53-L58 HydrophobicContact CD2-CB 3.76Å; Y53-L58 HydrophobicContact CD2-CD1 3.95Å; Y53-L58 HydrophobicContact CD2-CD2 4.39Å; Y53-L58 HydrophobicContact CD2-CG 4.25Å; Y53-L58 HydrophobicContact CE1-CD1 4.48Å; Y53-L58 HydrophobicContact CE2-CB 4.08Å; Y53-L58 HydrophobicContact CE2-CD1 3.55Å; Y53-L58 HydrophobicContact CE2-CD2 3.9Å; Y53-L58 HydrophobicContact CE2-CG 4.05Å; Y53-V121 HydrophobicContact CD1-CB 4.34Å; Y53-V121 HydrophobicContact CD1-CG2 3.94Å; Y53-V121 HydrophobicContact CE1-CG2 4.24Å |
| 54 | T | 93.2 | Very high | 94.3 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | trans | -68 | 166.9 | 164 | 64 | 0 | 0 | 0 | 0 | 111 | Q56 E57 L58 | T54-Q56 VanDerWaalsContact C-N 3.27Å; T54-Q56 PolarHBondContact O-N 3.48Å; T54-E57 WeakPolarHBondContact CB-OE2 3.16Å; T54-E57 WeakPolarHBondContact CG2-OE2 3.33Å; T54-E57 PolarHBondContact N-OE2 3.01Å; T54-E57 PolarHBondContact O-N 3.17Å; T54-E57 WeakPolarHBondContact OG1-CB 3.09Å; T54-E57 VanDerWaalsContact OG1-CG 3.24Å; T54-E57 WeakPolarHBondContact OG1-CG 3.27Å; T54-E57 PolarHBondContact OG1-N 2.88Å; T54-E57 VanDerWaalsContact OG1-N 3.17Å; T54-E57 PolarHBondContact OG1-OE2 2.69Å; T54-L58 PolarHBondContact O-N 3.13Å | ||
| 55 | V | 90.9 | Very high | 94 | Very high | 69 Ų | 69 | 44 Ų | 44 | 42% | 0.418 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.7 | 179.4 | 0 | 0 | 0 | 0 | 111 | L58 Y59 | V55-L58 WeakPolarHBondContact O-CB 3.46Å; V55-L58 PolarHBondContact O-N 2.98Å; V55-Y59 HydrophobicContact CG1-CD2 3.92Å; V55-Y59 HydrophobicContact CG1-CE2 3.58Å; V55-Y59 WeakPolarHBondContact O-CD2 3.34Å; V55-Y59 PolarHBondContact O-N 2.82Å |
| 56 | Q | 93.4 | Very high | 93.5 | Very high | 116 Ų | 116 | 47.6 Ų | 47.6 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 178.2 | -174.8 | 59.3 | 38.9 | 0 | 0 | 111.5 | T54 L58 Y59 D60 | T54-Q56 VanDerWaalsContact C-N 3.27Å; T54-Q56 PolarHBondContact O-N 3.48Å; Q56-L58 PolarHBondContact O-N 3.41Å; Q56-Y59 WeakPolarHBondContact O-CB 3.19Å; Q56-Y59 PolarHBondContact O-N 2.76Å; Q56-D60 PolarHBondContact NE2-OD1 2.98Å; Q56-D60 PolarHBondContact O-N 2.74Å |
| 57 | E | 94.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -35.4 | 177.4 | -75 | 167.8 | 136.6 | 0 | 0 | 112.3 | Y53 T54 D60 L61 I124 | Y53-E57 WeakPolarHBondContact CA-OE2 3.25Å; T54-E57 WeakPolarHBondContact CB-OE2 3.16Å; T54-E57 WeakPolarHBondContact CG2-OE2 3.33Å; T54-E57 PolarHBondContact N-OE2 3.01Å; T54-E57 PolarHBondContact O-N 3.17Å; T54-E57 WeakPolarHBondContact OG1-CB 3.09Å; T54-E57 VanDerWaalsContact OG1-CG 3.24Å; T54-E57 WeakPolarHBondContact OG1-CG 3.27Å; T54-E57 PolarHBondContact OG1-N 2.88Å; T54-E57 VanDerWaalsContact OG1-N 3.17Å; T54-E57 PolarHBondContact OG1-OE2 2.69Å; E57-D60 PolarHBondContact O-N 3.03Å; E57-L61 WeakPolarHBondContact O-CB 3.31Å; E57-L61 PolarHBondContact O-N 2.76Å; E57-I124 HydrophobicContact CB-CD1 4.03Å; E57-I124 HydrophobicContact CG-CD1 4.35Å |
| 58 | L | 93.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.4 | -174.1 | 60.3 | 0 | 0 | 0 | 112.3 | L23 F26 Y53 T54 V55 Q56 N62 | L23-L58 VanDerWaalsContact O-CD1 3.31Å; L23-L58 WeakPolarHBondContact O-CD1 3.33Å; F26-L58 HydrophobicContact CE2-CD1 3.81Å; F26-L58 HydrophobicContact CZ-CD1 3.86Å; Y53-L58 HydrophobicContact CD2-CB 3.76Å; Y53-L58 HydrophobicContact CD2-CD1 3.95Å; Y53-L58 HydrophobicContact CD2-CD2 4.39Å; Y53-L58 HydrophobicContact CD2-CG 4.25Å; Y53-L58 HydrophobicContact CE1-CD1 4.48Å; Y53-L58 HydrophobicContact CE2-CB 4.08Å; Y53-L58 HydrophobicContact CE2-CD1 3.55Å; Y53-L58 HydrophobicContact CE2-CD2 3.9Å; Y53-L58 HydrophobicContact CE2-CG 4.05Å; T54-L58 PolarHBondContact O-N 3.13Å; V55-L58 WeakPolarHBondContact O-CB 3.46Å; V55-L58 PolarHBondContact O-N 2.98Å; Q56-L58 PolarHBondContact O-N 3.41Å; L58-N62 PolarHBondContact O-N 3.03Å; L58-N62 PolarHBondContact O-ND2 3.26Å |
| 59 | Y | 93.4 | Very high | 91.9 | Very high | 107 Ų | 107 | 60.4 Ų | 60.4 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -49.4 | 175.1 | -81.1 | -69.6 | 0 | 0 | 0 | 111 | L22 V55 Q56 L61 N62 V63 | L22-Y59 HydrophobicContact CD1-CD1 3.86Å; L22-Y59 HydrophobicContact CD1-CE1 3.33Å; L22-Y59 HydrophobicContact CD2-CD1 4.24Å; L22-Y59 HydrophobicContact CD2-CE1 4.2Å; L22-Y59 HydrophobicContact CG-CE1 4.35Å; V55-Y59 HydrophobicContact CG1-CD2 3.92Å; V55-Y59 HydrophobicContact CG1-CE2 3.58Å; V55-Y59 WeakPolarHBondContact O-CD2 3.34Å; V55-Y59 PolarHBondContact O-N 2.82Å; Q56-Y59 WeakPolarHBondContact O-CB 3.19Å; Q56-Y59 PolarHBondContact O-N 2.76Å; Y59-L61 VanDerWaalsContact C-N 3.25Å; Y59-L61 PolarHBondContact O-N 3.18Å; Y59-N62 PolarHBondContact O-N 3.42Å; Y59-N62 VanDerWaalsContact O-N 3.12Å; Y59-V63 WeakPolarHBondContact O-CG2 3.05Å; Y59-V63 PolarHBondContact O-N 3.2Å |
| 60 | D | 93 | Very high | 91.6 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 179.3 | -63 | -14.1 | 0 | 0 | 0 | 111.4 | Q56 E57 V63 R64 | Q56-D60 PolarHBondContact NE2-OD1 2.98Å; Q56-D60 PolarHBondContact O-N 2.74Å; E57-D60 PolarHBondContact O-N 3.03Å; D60-V63 PolarHBondContact O-N 2.97Å; D60-R64 PolarHBondContact O-N 2.91Å |
| 61 | L | 93.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 175.4 | -176.8 | 61.9 | 0 | 0 | 0 | 111 | F26 E57 Y59 V63 R64 L65 V95 | F26-L61 HydrophobicContact CD2-CD2 4.05Å; F26-L61 HydrophobicContact CE1-CD2 4.05Å; F26-L61 HydrophobicContact CE1-CG 4.45Å; F26-L61 HydrophobicContact CE2-CD2 3.39Å; F26-L61 HydrophobicContact CE2-CG 4.5Å; F26-L61 HydrophobicContact CZ-CD2 3.4Å; F26-L61 HydrophobicContact CZ-CG 4.05Å; E57-L61 WeakPolarHBondContact O-CB 3.31Å; E57-L61 PolarHBondContact O-N 2.76Å; Y59-L61 VanDerWaalsContact C-N 3.25Å; Y59-L61 PolarHBondContact O-N 3.18Å; L61-V63 VanDerWaalsContact C-N 3.35Å; L61-V63 PolarHBondContact O-N 3.02Å; L61-R64 PolarHBondContact O-N 2.95Å; L61-L65 HydrophobicContact CD1-CD1 3.9Å; L61-L65 HydrophobicContact CD1-CD2 4.47Å; L61-L65 HydrophobicContact CD1-CG 4.09Å; L61-L65 HydrophobicContact CD2-CD1 4.48Å; L61-L65 HydrophobicContact CG-CD1 3.76Å; L61-L65 HydrophobicContact CG-CG 4.31Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 WeakPolarHBondContact O-CG 3.2Å; L61-L65 PolarHBondContact O-N 3.41Å; L61-V95 HydrophobicContact CD1-CG1 3.31Å |
| 62 | N | 93.5 | Very high | 91.3 | Very high | 18 Ų | 18 | 73.6 Ų | 73.6 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 177.5 | -88.2 | -95.3 | 0 | 0 | 0 | 111.9 | L22 L23 L58 Y59 R64 L65 S66 | L22-N62 HydrophobicContact CD2-CB 4.15Å; L23-N62 WeakPolarHBondContact CB-OD1 3.15Å; L23-N62 PolarHBondContact N-OD1 3.13Å; L23-N62 PolarHBondContact O-ND2 3.49Å; L58-N62 PolarHBondContact O-N 3.03Å; L58-N62 PolarHBondContact O-ND2 3.26Å; Y59-N62 PolarHBondContact O-N 3.42Å; Y59-N62 VanDerWaalsContact O-N 3.12Å; N62-R64 VanDerWaalsContact C-N 3.3Å; N62-R64 PolarHBondContact O-N 3.25Å; N62-L65 PolarHBondContact O-N 2.8Å; N62-S66 VanDerWaalsContact O-CB 3.3Å; N62-S66 WeakPolarHBondContact O-CB 3.46Å; N62-S66 PolarHBondContact O-N 2.93Å; N62-S66 PolarHBondContact O-OG 3.12Å |
| 63 | V | 92.4 | Very high | 91.3 | Very high | 99 Ų | 99 | 76.1 Ų | 76.1 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.4 | -40.8 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | Y59 D60 L61 S66 | Y59-V63 WeakPolarHBondContact O-CG2 3.05Å; Y59-V63 PolarHBondContact O-N 3.2Å; D60-V63 PolarHBondContact O-N 2.97Å; L61-V63 VanDerWaalsContact C-N 3.35Å; L61-V63 PolarHBondContact O-N 3.02Å; V63-S66 PolarHBondContact O-OG 3.35Å; V63-S66 VanDerWaalsContact O-OG 3.09Å |
| 64 | R | 90.6 | Very high | 91.3 | Very high | 70 Ų | 70 | 76.9 Ų | 76.9 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.8 | -46.9 | 176.3 | 179.4 | 173.6 | 173.6 | 161.2 | -2.8 | 111.8 | D60 L61 N62 S66 R67 S94 | D60-R64 PolarHBondContact O-N 2.91Å; L61-R64 PolarHBondContact O-N 2.95Å; N62-R64 VanDerWaalsContact C-N 3.3Å; N62-R64 PolarHBondContact O-N 3.25Å; R64-S66 VanDerWaalsContact C-N 3.29Å; R64-S66 PolarHBondContact O-N 2.81Å; R64-R67 WeakPolarHBondContact O-CB 3.34Å; R64-R67 WeakPolarHBondContact O-CD 3.29Å; R64-R67 VanDerWaalsContact O-CG 3.23Å; R64-R67 WeakPolarHBondContact O-CG 3.29Å; R64-R67 PolarHBondContact O-N 3.29Å; R64-S94 PolarHBondContact NH2-O 2.87Å; R64-S94 VanDerWaalsContact NH2-O 3.11Å |
| 65 | L | 92 | Very high | 91.4 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.7 | -24.4 | -176.3 | -62 | 175.1 | 0 | 0 | 0 | 112.5 | V9 F26 L61 N62 R67 I89 V95 | V9-L65 HydrophobicContact CG1-CD1 4.21Å; V9-L65 HydrophobicContact CG1-CD2 4.49Å; F26-L65 HydrophobicContact CD1-CD1 4.02Å; F26-L65 HydrophobicContact CE1-CD1 3.54Å; F26-L65 HydrophobicContact CZ-CD1 4.36Å; L61-L65 HydrophobicContact CD1-CD1 3.9Å; L61-L65 HydrophobicContact CD1-CD2 4.47Å; L61-L65 HydrophobicContact CD1-CG 4.09Å; L61-L65 HydrophobicContact CD2-CD1 4.48Å; L61-L65 HydrophobicContact CG-CD1 3.76Å; L61-L65 HydrophobicContact CG-CG 4.31Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 WeakPolarHBondContact O-CG 3.2Å; L61-L65 PolarHBondContact O-N 3.41Å; N62-L65 PolarHBondContact O-N 2.8Å; L65-R67 VanDerWaalsContact C-N 3.26Å; L65-R67 PolarHBondContact O-N 2.9Å; L65-I89 HydrophobicContact CB-CD1 4.26Å; L65-I89 HydrophobicContact CD1-CD1 3.9Å; L65-I89 HydrophobicContact CD2-CD1 4.18Å; L65-I89 HydrophobicContact CD2-CG2 4.08Å; L65-I89 HydrophobicContact CG-CD1 4.32Å; L65-V95 HydrophobicContact CD2-CG1 4.38Å |
| 66 | S | 87.5 | Confident | 91.5 | Very high | 75 Ų | 75 | 75.2 Ų | 75.2 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 7.5 | 176 | 65.6 | 0 | 0 | 0 | 0 | 114.4 | N62 V63 R64 A68 | N62-S66 VanDerWaalsContact O-CB 3.3Å; N62-S66 WeakPolarHBondContact O-CB 3.46Å; N62-S66 PolarHBondContact O-N 2.93Å; N62-S66 PolarHBondContact O-OG 3.12Å; V63-S66 PolarHBondContact O-OG 3.35Å; V63-S66 VanDerWaalsContact O-OG 3.09Å; R64-S66 VanDerWaalsContact C-N 3.29Å; R64-S66 PolarHBondContact O-N 2.81Å; S66-A68 PolarHBondContact O-N 3.42Å |
| 67 | R | 87.4 | Confident | 91.6 | Very high | 196 Ų | 196 | 70 Ų | 70 | 74% | 0.74 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.5 | 176.4 | -75.3 | 177.2 | 175.4 | -173.9 | -2.8 | 113.2 | R64 L65 | R64-R67 WeakPolarHBondContact O-CB 3.34Å; R64-R67 WeakPolarHBondContact O-CD 3.29Å; R64-R67 VanDerWaalsContact O-CG 3.23Å; R64-R67 WeakPolarHBondContact O-CG 3.29Å; R64-R67 PolarHBondContact O-N 3.29Å; L65-R67 VanDerWaalsContact C-N 3.26Å; L65-R67 PolarHBondContact O-N 2.9Å |
| 68 | A | 82.6 | Confident | 91.7 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 19% | 0.19 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -122.5 | 154.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S66 L70 C93 | S66-A68 PolarHBondContact O-N 3.42Å; A68-L70 PolarHBondContact O-N 3.09Å; A68-C93 HydrophobicContact CB-CB 4.1Å; A68-C93 VanDerWaalsContact CB-SG 3.53Å |
| 69 | P | 86.1 | Confident | 91.9 | Very high | 117 Ų | 117 | 73.9 Ų | 73.9 | 76% | 0.76 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 125.9 | 175.6 | -25 | 34.6 | 0 | 0 | 0 | 112.1 | ||
| 70 | L | 90.4 | Very high | 92 | Very high | 59 Ų | 59 | 70 Ų | 70 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -69 | 129.2 | 174.4 | -63.3 | 176.2 | 0 | 0 | 0 | 110 | L23 A68 V87 I89 | L23-L70 HydrophobicContact CD1-CD1 4.38Å; A68-L70 PolarHBondContact O-N 3.09Å; L70-V87 HydrophobicContact CB-CB 4.06Å; L70-V87 HydrophobicContact CB-CG1 4.15Å; L70-V87 HydrophobicContact CD1-CG2 4.21Å; L70-I89 HydrophobicContact CD2-CG1 3.62Å |
| 71 | Q | 91.5 | Very high | 92 | Very high | 75 Ų | 75 | 69.2 Ų | 69.2 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -91.3 | 137.6 | -178.2 | -63.7 | -177.1 | -0.2 | 0 | 0 | 110.8 | V87 Y88 | Q71-V87 CarbonylContact O-C 3.56Å; Q71-V87 VanDerWaalsContact O-CA 3.24Å; Q71-V87 WeakPolarHBondContact O-CA 3.25Å; Q71-Y88 PolarHBondContact N-O 3.29Å; Q71-Y88 WeakPolarHBondContact O-CD2 3.24Å; Q71-Y88 PolarHBondContact O-N 2.83Å |
| 72 | R | 92.2 | Very high | 92.1 | Very high | 222 Ų | 222 | 73.3 Ų | 73.3 | 84% | 0.838 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -88.1 | -27.4 | 177.5 | -68.4 | -174.7 | 177.3 | 168.7 | -0.2 | 113.5 | ||
| 73 | S | 93.1 | Very high | 92.2 | Very high | 96 Ų | 96 | 75.1 Ų | 75.1 | 67% | 0.671 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -92.7 | 143.4 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | P75 Y88 | S73-P75 WeakPolarHBondContact O-CD 3.23Å; S73-Y88 VanDerWaalsContact O-CD2 3.31Å; S73-Y88 WeakPolarHBondContact O-CD2 3.43Å |
| 74 | C | 92.8 | Very high | 92.4 | Very high | 54 Ų | 54 | 75 Ų | 75 | 37% | 0.365 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 122.2 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | T80 Y88 | C74-T80 PolarHBondContact SG-OG1 2.94Å; C74-Y88 HydrophobicContact CB-CE1 4.31Å; C74-Y88 HydrophobicContact CB-CE2 4.12Å |
| 75 | P | 94.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 156.2 | -178.9 | 28.4 | -31.8 | 0 | 0 | 0 | 111.7 | S73 W77 L78 Y88 | S73-P75 WeakPolarHBondContact O-CD 3.23Å; P75-W77 VanDerWaalsContact C-N 3.28Å; P75-W77 HydrophobicContact CB-CD2 4.05Å; P75-W77 HydrophobicContact CB-CG 4.18Å; P75-W77 HydrophobicContact CB-CZ2 3.91Å; P75-W77 HydrophobicContact CG-CD2 3.83Å; P75-W77 HydrophobicContact CG-CE3 4.28Å; P75-W77 HydrophobicContact CG-CG 4.45Å; P75-W77 HydrophobicContact CG-CH2 3.72Å; P75-W77 HydrophobicContact CG-CZ2 3.24Å; P75-W77 HydrophobicContact CG-CZ3 4.25Å; P75-W77 PolarHBondContact O-N 2.9Å; P75-L78 HydrophobicContact CG-CB 3.99Å; P75-L78 PolarHBondContact O-N 2.87Å; P75-L78 VanDerWaalsContact O-N 3.16Å; P75-Y88 HydrophobicContact CG-CG 4.4Å |
| 76 | A | 94.4 | Very high | 92.8 | Very high | 98 Ų | 98 | 76.9 Ų | 76.9 | 81% | 0.81 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L78 | A76-L78 PolarHBondContact O-N 2.76Š|
| 77 | W | 95.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 73.7 Ų | 73.7 | 3% | 0.027 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.1 | 177.4 | 55.5 | -109.6 | 0 | 0 | 0 | 114 | V10 Q40 T42 F43 P75 I89 Q90 P91 | V10-W77 HydrophobicContact CB-CH2 4.28Å; V10-W77 HydrophobicContact CB-CZ3 4.08Å; V10-W77 HydrophobicContact CG1-CH2 4.5Å; V10-W77 HydrophobicContact CG1-CZ3 3.97Å; Q40-W77 HydrophobicContact CG-CB 3.58Å; Q40-W77 HydrophobicContact CG-CG 4.18Å; T42-W77 CarbonylContact C-O 3.57Å; T42-W77 WeakPolarHBondContact CA-O 3.44Å; F43-W77 AromaticContact CD2-CE3 3.88Å; F43-W77 HydrophobicContact CD2-CE3 3.88Å; F43-W77 HydrophobicContact CD2-CZ3 4.33Å; F43-W77 PolarHBondContact N-O 3.09Å; P75-W77 VanDerWaalsContact C-N 3.28Å; P75-W77 HydrophobicContact CB-CD2 4.05Å; P75-W77 HydrophobicContact CB-CG 4.18Å; P75-W77 HydrophobicContact CB-CZ2 3.91Å; P75-W77 HydrophobicContact CG-CD2 3.83Å; P75-W77 HydrophobicContact CG-CE3 4.28Å; P75-W77 HydrophobicContact CG-CG 4.45Å; P75-W77 HydrophobicContact CG-CH2 3.72Å; P75-W77 HydrophobicContact CG-CZ2 3.24Å; P75-W77 HydrophobicContact CG-CZ3 4.25Å; P75-W77 PolarHBondContact O-N 2.9Å; W77-I89 WeakPolarHBondContact CH2-O 3.02Å; W77-I89 VanDerWaalsContact CZ2-O 3.31Å; W77-I89 WeakPolarHBondContact CZ2-O 3.32Å; W77-Q90 VanDerWaalsContact NE1-OE1 3.09Å; W77-P91 HydrophobicContact CD2-CG 4.05Å; W77-P91 HydrophobicContact CE3-CG 3.92Å; W77-P91 HydrophobicContact CH2-CG 4.11Å; W77-P91 HydrophobicContact CZ2-CG 4.16Å; W77-P91 HydrophobicContact CZ3-CG 3.95Å |
| 78 | L | 97 | Very high | 93.7 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.4 | 180 | -175.5 | 61.9 | 0 | 0 | 0 | 111.1 | V10 M27 A29 F43 P75 A76 T80 Y88 | V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CB-CD2 4.12Å; V10-L78 HydrophobicContact CG1-CD1 4.19Å; V10-L78 HydrophobicContact CG2-CD1 3.8Å; V10-L78 HydrophobicContact CG2-CD2 3.99Å; M27-L78 HydrophobicContact SD-CD2 4.41Å; A29-L78 HydrophobicContact CB-CD1 4.29Å; F43-L78 HydrophobicContact CB-CD1 3.98Å; P75-L78 HydrophobicContact CG-CB 3.99Å; P75-L78 PolarHBondContact O-N 2.87Å; P75-L78 VanDerWaalsContact O-N 3.16Å; A76-L78 PolarHBondContact O-N 2.76Å; L78-T80 HydrophobicContact CD2-CG2 3.82Å; L78-T80 HydrophobicContact CG-CG2 3.88Å; L78-Y88 HydrophobicContact CD2-CD1 3.51Å; L78-Y88 HydrophobicContact CD2-CE1 3.65Å |
| 79 | R | 96.7 | Very high | 94.3 | Very high | 139 Ų | 139 | 63.7 Ų | 63.7 | 53% | 0.525 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.2 | 167.6 | -58.6 | -171.7 | -178.7 | 171.1 | 3.8 | 110.4 | T42 F43 L44 S45 A111 | T42-R79 HydrophobicContact CG2-CG 3.78Å; F43-R79 PolarHBondContact O-N 3.09Å; L44-R79 HydrophobicContact CD2-CB 3.73Å; L44-R79 HydrophobicContact CD2-CG 4.05Å; S45-R79 PolarHBondContact N-O 3.34Å; S45-R79 VanDerWaalsContact N-O 3.13Å; S45-R79 PolarHBondContact OG-O 3.42Å; R79-A111 HydrophobicContact CB-CB 3.98Å; R79-A111 WeakPolarHBondContact O-CB 3.48Å |
| 80 | T | 95.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | trans | -125.1 | 154.3 | 175.3 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | M27 C74 L78 K84 | M27-T80 HydrophobicContact CE-CG2 4.48Å; M27-T80 HydrophobicContact SD-CG2 4.05Å; C74-T80 PolarHBondContact SG-OG1 2.94Å; L78-T80 HydrophobicContact CD2-CG2 3.82Å; L78-T80 HydrophobicContact CG-CG2 3.88Å; T80-K84 WeakPolarHBondContact OG1-CD 3.36Å; T80-K84 PolarHBondContact OG1-NZ 3.09Å | ||
| 81 | S | 94.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | trans | -101.8 | -128.7 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 109 | E83 K84 K108 A109 | S81-E83 VanDerWaalsContact C-N 3.34Å; S81-K84 VanDerWaalsContact O-CE 3.31Å; S81-K84 WeakPolarHBondContact O-CE 3.29Å; S81-K84 PolarHBondContact O-NZ 3.25Å; S81-K108 WeakPolarHBondContact CB-O 3.42Å; S81-K108 PolarHBondContact OG-O 3.5Å; S81-A109 WeakPolarHBondContact CB-O 3.46Å | ||
| 82 | S | 95.2 | Very high | 94.9 | Very high | 91 Ų | 91 | 59.1 Ų | 59.1 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -71 | -28.4 | 179 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | A109 | S82-A109 PolarHBondContact N-O 3.11Å; S82-A109 WeakPolarHBondContact OG-CA 3.23Å |
| 83 | E | 95.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 50 Ų | 50 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | trans | -81.9 | 125.5 | 178.9 | -166.4 | 62.8 | -121.4 | 0 | 0 | 111.1 | M27 K48 S81 A109 F110 | M27-E83 HydrophobicContact CE-CG 4.24Å; K48-E83 WeakPolarHBondContact CE-OE1 3.5Å; K48-E83 IonicContact NZ-OE1 3.7Å; K48-E83 PolarHBondContact NZ-OE1 3.41Å; K48-E83 IonicContact NZ-OE2 3.98Å; S81-E83 VanDerWaalsContact C-N 3.34Å; E83-A109 HydrophobicContact CB-CB 4.3Å; E83-A109 WeakPolarHBondContact CB-O 3.3Å; E83-A109 PolarHBondContact N-O 2.79Å; E83-F110 HydrophobicContact CB-CD1 4.19Å; E83-F110 HydrophobicContact CB-CE1 3.88Å; E83-F110 HydrophobicContact CB-CZ 4.29Å; E83-F110 HydrophobicContact CG-CD1 4.45Å; E83-F110 HydrophobicContact CG-CE1 3.68Å; E83-F110 HydrophobicContact CG-CZ 3.98Å | ||
| 84 | K | 95.9 | Very high | 94.9 | Very high | 98 Ų | 98 | 45.5 Ų | 45.5 | 43% | 0.426 | 26% | 0.255 | S | S | . | . | trans | -123.3 | 142.7 | -179.5 | -58.1 | -55.7 | -170 | -160.9 | 0 | 109.7 | Y13 T80 S81 | Y13-K84 VanDerWaalsContact CE1-O 3.31Å; Y13-K84 WeakPolarHBondContact CE1-O 3.05Å; Y13-K84 PolarHBondContact OH-O 3.33Å; T80-K84 WeakPolarHBondContact OG1-CD 3.36Å; T80-K84 PolarHBondContact OG1-NZ 3.09Å; S81-K84 VanDerWaalsContact O-CE 3.31Å; S81-K84 WeakPolarHBondContact O-CE 3.29Å; S81-K84 PolarHBondContact O-NZ 3.25Å | ||
| 85 | A | 95.9 | Very high | 95 | Very high | 9 Ų | 9 | 43 Ų | 43 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | trans | -80.8 | 155.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | M27 V87 Y88 | M27-A85 HydrophobicContact CB-CB 4.4Å; M27-A85 HydrophobicContact CE-CB 4.06Å; M27-A85 HydrophobicContact SD-CB 4.41Å; A85-V87 VanDerWaalsContact C-N 3.31Å; A85-V87 VanDerWaalsContact CB-O 3.27Å; A85-V87 WeakPolarHBondContact CB-O 3.08Å; A85-Y88 HydrophobicContact CB-CD1 4.23Å; A85-Y88 HydrophobicContact CB-CE1 3.83Å; A85-Y88 PolarHBondContact N-OH 3.02Å; A85-Y88 VanDerWaalsContact N-OH 3.13Å; A85-Y88 PolarHBondContact O-OH 3Å | ||
| 86 | E | 95.3 | Very high | 95.2 | Very high | 102 Ų | 102 | 42.3 Ų | 42.3 | 48% | 0.477 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -72.2 | -33.1 | 173.2 | -67.3 | 176.6 | 171 | 0 | 0 | 111.1 | G12 Y13 F14 | G12-E86 PolarHBondContact O-N 3.42Å; Y13-E86 HydrophobicContact CD1-CG 4.17Å; F14-E86 VanDerWaalsContact CD2-OE2 3.24Å; F14-E86 WeakPolarHBondContact CD2-OE2 3.38Å; F14-E86 PolarHBondContact N-OE2 3.12Å |
| 87 | V | 96 | Very high | 95.3 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.6 | 174.6 | -68 | 0 | 0 | 0 | 0 | 111.3 | G11 G12 F14 L23 L70 Q71 A85 | G11-V87 CarbonylContact C-O 3.45Å; G11-V87 WeakPolarHBondContact CA-O 3.5Å; G12-V87 PolarHBondContact N-O 3.38Å; G12-V87 PolarHBondContact O-N 3.45Å; F14-V87 HydrophobicContact CE2-CG1 3.86Å; F14-V87 HydrophobicContact CE2-CG2 4.46Å; F14-V87 HydrophobicContact CZ-CG1 4.18Å; L23-V87 HydrophobicContact CD1-CG2 4.19Å; L23-V87 HydrophobicContact CD2-CG2 3.62Å; L70-V87 HydrophobicContact CB-CB 4.06Å; L70-V87 HydrophobicContact CB-CG1 4.15Å; L70-V87 HydrophobicContact CD1-CG2 4.21Å; Q71-V87 CarbonylContact O-C 3.56Å; Q71-V87 VanDerWaalsContact O-CA 3.24Å; Q71-V87 WeakPolarHBondContact O-CA 3.25Å; A85-V87 VanDerWaalsContact C-N 3.31Å; A85-V87 VanDerWaalsContact CB-O 3.27Å; A85-V87 WeakPolarHBondContact CB-O 3.08Å |
| 88 | Y | 96.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 38 Ų | 38 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 145 | 179.3 | -57.5 | -87.3 | 0 | 0 | 0 | 110.4 | V10 Q71 S73 C74 P75 L78 A85 | V10-Y88 WeakPolarHBondContact O-CA 3.39Å; Q71-Y88 PolarHBondContact N-O 3.29Å; Q71-Y88 WeakPolarHBondContact O-CD2 3.24Å; Q71-Y88 PolarHBondContact O-N 2.83Å; S73-Y88 VanDerWaalsContact O-CD2 3.31Å; S73-Y88 WeakPolarHBondContact O-CD2 3.43Å; C74-Y88 HydrophobicContact CB-CE1 4.31Å; C74-Y88 HydrophobicContact CB-CE2 4.12Å; P75-Y88 HydrophobicContact CG-CG 4.4Å; L78-Y88 HydrophobicContact CD2-CD1 3.51Å; L78-Y88 HydrophobicContact CD2-CE1 3.65Å; A85-Y88 HydrophobicContact CB-CD1 4.23Å; A85-Y88 HydrophobicContact CB-CE1 3.83Å; A85-Y88 PolarHBondContact N-OH 3.02Å; A85-Y88 VanDerWaalsContact N-OH 3.13Å; A85-Y88 PolarHBondContact O-OH 3Å |
| 89 | I | 95.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -118.3 | 130.6 | -173.2 | -62.7 | 154.6 | 0 | 0 | 0 | 107.7 | V9 V10 L23 L65 L70 W77 | V9-I89 HydrophobicContact CG1-CD1 3.74Å; V10-I89 PolarHBondContact O-N 3.49Å; L23-I89 HydrophobicContact CD1-CD1 4.31Å; L65-I89 HydrophobicContact CB-CD1 4.26Å; L65-I89 HydrophobicContact CD1-CD1 3.9Å; L65-I89 HydrophobicContact CD2-CD1 4.18Å; L65-I89 HydrophobicContact CD2-CG2 4.08Å; L65-I89 HydrophobicContact CG-CD1 4.32Å; L70-I89 HydrophobicContact CD2-CG1 3.62Å; W77-I89 WeakPolarHBondContact CH2-O 3.02Å; W77-I89 VanDerWaalsContact CZ2-O 3.31Å; W77-I89 WeakPolarHBondContact CZ2-O 3.32Å | ||
| 90 | Q | 93.6 | Very high | 95.3 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 20% | 0.201 | 19% | 0.185 | C | C | . | . | trans | -62.9 | 138.7 | 176.8 | -69.7 | -61.5 | -48.3 | 0 | 0 | 111 | W77 D92 C93 S94 | W77-Q90 VanDerWaalsContact NE1-OE1 3.09Å; Q90-D92 VanDerWaalsContact C-N 3.26Å; Q90-D92 WeakPolarHBondContact CB-OD1 3.32Å; Q90-D92 PolarHBondContact O-N 3.31Å; Q90-C93 PolarHBondContact O-N 2.99Å; Q90-C93 VanDerWaalsContact O-N 3.15Å; Q90-S94 PolarHBondContact O-N 2.98Å | ||
| 91 | P | 94.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -57.4 | -37.9 | -174.5 | -28.2 | 37 | 0 | 0 | 0 | 113.6 | L8 F43 W77 C93 S94 W130 | L8-P91 HydrophobicContact CD2-CB 4.09Å; F43-P91 HydrophobicContact CD2-CG 4.09Å; F43-P91 HydrophobicContact CE2-CB 3.85Å; F43-P91 HydrophobicContact CE2-CG 3.64Å; F43-P91 HydrophobicContact CZ-CB 4.18Å; F43-P91 HydrophobicContact CZ-CG 4.44Å; W77-P91 HydrophobicContact CD2-CG 4.05Å; W77-P91 HydrophobicContact CE3-CG 3.92Å; W77-P91 HydrophobicContact CH2-CG 4.11Å; W77-P91 HydrophobicContact CZ2-CG 4.16Å; W77-P91 HydrophobicContact CZ3-CG 3.95Å; P91-C93 VanDerWaalsContact C-N 3.32Å; P91-C93 PolarHBondContact O-N 3.04Å; P91-S94 VanDerWaalsContact O-CB 3.29Å; P91-S94 WeakPolarHBondContact O-CB 3.4Å; P91-S94 PolarHBondContact O-N 2.92Å; P91-S94 VanDerWaalsContact O-N 3.1Å; P91-W130 HydrophobicContact CB-CD2 3.91Å; P91-W130 HydrophobicContact CB-CE3 3.36Å; P91-W130 HydrophobicContact CB-CH2 4.35Å; P91-W130 HydrophobicContact CB-CZ3 3.61Å; P91-W130 HydrophobicContact CG-CZ3 4.47Å; P91-W130 WeakPolarHBondContact O-CB 3.31Å; P91-W130 VanDerWaalsContact O-CG 3.22Å |
| 92 | D | 91.9 | Very high | 95.1 | Very high | 102 Ų | 102 | 33.6 Ų | 33.6 | 55% | 0.545 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -64 | -32.2 | 179.8 | 64.6 | -20.1 | 0 | 0 | 0 | 114.2 | Q90 S94 | Q90-D92 VanDerWaalsContact C-N 3.26Å; Q90-D92 WeakPolarHBondContact CB-OD1 3.32Å; Q90-D92 PolarHBondContact O-N 3.31Å; D92-S94 VanDerWaalsContact C-N 3.34Å |
| 93 | C | 91.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 32.6 Ų | 32.6 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -91.3 | -1 | 176.3 | -63 | 0 | 0 | 0 | 0 | 112.9 | A68 Q90 P91 | A68-C93 HydrophobicContact CB-CB 4.1Å; A68-C93 VanDerWaalsContact CB-SG 3.53Å; Q90-C93 PolarHBondContact O-N 2.99Å; Q90-C93 VanDerWaalsContact O-N 3.15Å; P91-C93 VanDerWaalsContact C-N 3.32Å; P91-C93 PolarHBondContact O-N 3.04Å |
| 94 | S | 94.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | trans | -87.6 | -175 | -174 | -164 | 0 | 0 | 0 | 0 | 113.2 | V9 R64 Q90 P91 D92 | V9-S94 WeakPolarHBondContact CB-OG 3.1Å; V9-S94 WeakPolarHBondContact O-CB 3.1Å; V9-S94 PolarHBondContact O-OG 2.78Å; R64-S94 PolarHBondContact NH2-O 2.87Å; R64-S94 VanDerWaalsContact NH2-O 3.11Å; Q90-S94 PolarHBondContact O-N 2.98Å; P91-S94 VanDerWaalsContact O-CB 3.29Å; P91-S94 WeakPolarHBondContact O-CB 3.4Å; P91-S94 PolarHBondContact O-N 2.92Å; P91-S94 VanDerWaalsContact O-N 3.1Å; D92-S94 VanDerWaalsContact C-N 3.34Å | ||
| 95 | V | 95.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | trans | -140.5 | 149.6 | 176.1 | 72.2 | 0 | 0 | 0 | 0 | 110.4 | V9 L61 L65 L97 I124 | V9-V95 HydrophobicContact CG2-CG1 4.35Å; V9-V95 PolarHBondContact N-O 3.03Å; V9-V95 VanDerWaalsContact N-O 3.13Å; L61-V95 HydrophobicContact CD1-CG1 3.31Å; L65-V95 HydrophobicContact CD2-CG1 4.38Å; V95-L97 HydrophobicContact CG1-CD2 4.15Å; V95-I124 HydrophobicContact CG1-CG2 4.45Å; V95-I124 HydrophobicContact CG2-CG2 3.63Å | ||
| 96 | I | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 134 | 171.5 | -67.4 | 168.4 | 0 | 0 | 0 | 108.7 | D6 L7 L8 R125 K128 G129 C133 | D6-I96 HydrophobicContact CB-CG2 3.8Å; L7-I96 WeakPolarHBondContact O-CA 3.24Å; L8-I96 HydrophobicContact CD1-CG1 3.93Å; I96-R125 HydrophobicContact CB-CB 4.03Å; I96-R125 HydrophobicContact CG2-CB 3.95Å; I96-R125 HydrophobicContact CG2-CG 4.05Å; I96-R125 WeakPolarHBondContact O-CB 3.45Å; I96-R125 PolarHBondContact O-N 3.38Å; I96-K128 HydrophobicContact CD1-CB 3.77Å; I96-G129 WeakPolarHBondContact CD1-O 3.3Å; I96-C133 HydrophobicContact CD1-CB 3.72Å; I96-C133 HydrophobicContact CG1-CB 3.88Å |
| 97 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.3 | 172.7 | -61.3 | -179.2 | 0 | 0 | 0 | 108.7 | L7 V9 L28 V49 V95 I99 V121 I124 | L7-L97 PolarHBondContact N-O 2.98Å; L7-L97 PolarHBondContact O-N 3.21Å; V9-L97 HydrophobicContact CG2-CD1 3.44Å; V9-L97 VanDerWaalsContact CG2-CD1 3.44Å; V9-L97 HydrophobicContact CG2-CG 3.69Å; L28-L97 HydrophobicContact CD2-CD1 4.23Å; V49-L97 HydrophobicContact CG1-CD1 4.21Å; V95-L97 HydrophobicContact CG1-CD2 4.15Å; L97-I99 HydrophobicContact CB-CD1 3.66Å; L97-I99 HydrophobicContact CB-CG1 4.3Å; L97-I99 PolarHBondContact O-N 3.27Å; L97-V121 HydrophobicContact CB-CG1 4.47Å; L97-V121 HydrophobicContact CD1-CG2 3.98Å; L97-V121 HydrophobicContact CD2-CG1 4.21Å; L97-I124 HydrophobicContact CD2-CB 4.23Å; L97-I124 HydrophobicContact CD2-CG1 3.83Å; L97-I124 HydrophobicContact CD2-CG2 4.13Å |
| 98 | Q | 96.9 | Very high | 94.5 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.7 | 168.3 | -171.1 | 173 | 21.3 | 0 | 0 | 108 | Q4 E122 M123 R125 | Q4-Q98 HydrophobicContact CB-CG 3.97Å; Q4-Q98 HydrophobicContact CG-CG 4.42Å; Q98-E122 PolarHBondContact O-N 2.93Å; Q98-M123 HydrophobicContact CB-CB 4.08Å; Q98-M123 WeakPolarHBondContact CB-O 3.14Å; Q98-M123 PolarHBondContact N-O 3.24Å; Q98-R125 HydrophobicContact CB-CG 4.04Å |
| 99 | I | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.4 | -174.2 | -54.3 | -57.8 | 0 | 0 | 0 | 109.3 | L5 L7 L28 V49 L97 L116 P119 R120 V121 | L5-I99 HydrophobicContact CB-CB 4.48Å; L5-I99 WeakPolarHBondContact CD1-O 3.27Å; L5-I99 PolarHBondContact N-O 3.15Å; L5-I99 PolarHBondContact O-N 3.1Å; L7-I99 HydrophobicContact CB-CG1 4.36Å; L7-I99 HydrophobicContact CD1-CB 4.36Å; L7-I99 HydrophobicContact CD1-CG1 4.13Å; L7-I99 HydrophobicContact CG-CG1 4.45Å; L28-I99 HydrophobicContact CD1-CD1 3.98Å; L28-I99 HydrophobicContact CD1-CG1 3.74Å; V49-I99 HydrophobicContact CB-CD1 4.38Å; V49-I99 HydrophobicContact CG1-CD1 4.14Å; V49-I99 HydrophobicContact CG2-CD1 4.22Å; L97-I99 HydrophobicContact CB-CD1 3.66Å; L97-I99 HydrophobicContact CB-CG1 4.3Å; L97-I99 PolarHBondContact O-N 3.27Å; I99-L116 HydrophobicContact CG2-CD1 3.74Å; I99-P119 HydrophobicContact CG2-CB 3.84Å; I99-R120 WeakPolarHBondContact CA-O 3.22Å; I99-V121 HydrophobicContact CD1-CB 4.41Å; I99-V121 HydrophobicContact CD1-CG2 3.81Å |
| 100 | K | 94.9 | Very high | 94.5 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.3 | 169.2 | -166.3 | 168 | -168.8 | 165.3 | 0 | 109 | M1 P119 R120 E122 | M1-K100 HydrophobicContact CE-CD 4.48Å; M1-K100 VanDerWaalsContact SD-CE 3.57Å; K100-P119 WeakPolarHBondContact O-CA 3.43Å; K100-R120 PolarHBondContact N-O 3.4Å; K100-R120 PolarHBondContact O-N 2.61Å; K100-E122 IonicContact NZ-OE1 2.87Å |
| 101 | A | 94 | Very high | 94.6 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | trans | -132.2 | 154.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C2 L5 L116 | C2-A101 WeakPolarHBondContact CB-O 3.23Å; L5-A101 HydrophobicContact CD1-CB 4.41Å; A101-L116 HydrophobicContact CB-CB 3.93Å; A101-L116 HydrophobicContact CB-CD1 4.4Å; A101-L116 HydrophobicContact CB-CD2 4.13Å; A101-L116 HydrophobicContact CB-CG 4.38Å | ||
| 102 | A | 91.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 44% | 0.438 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -71.9 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R117 F118 | A102-R117 PolarHBondContact N-O 3.3Å; A102-F118 HydrophobicContact CB-CD2 4.12Å |
| 103 | Q | 90.9 | Very high | 94.9 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 33% | 0.327 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 151.5 | -175.3 | -169.4 | -179.7 | 6.1 | 0 | 0 | 110.2 | V105 R117 | Q103-V105 HydrophobicContact CB-CG1 4.48Å; Q103-V105 HydrophobicContact CG-CG1 4.25Å; Q103-R117 HydrophobicContact CB-CB 4.35Å; Q103-R117 WeakPolarHBondContact O-CB 3.5Å; Q103-R117 PolarHBondContact O-N 2.88Å |
| 104 | I | 93.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.4 | 166.4 | -60.8 | 169.8 | 0 | 0 | 0 | 108.7 | L5 Y114 L116 F139 H143 | L5-I104 HydrophobicContact CD2-CD1 4.33Å; I104-Y114 HydrophobicContact CG2-CD1 3.9Å; I104-Y114 HydrophobicContact CG2-CG 4.2Å; I104-L116 HydrophobicContact CG1-CD2 3.87Å; I104-F139 HydrophobicContact CD1-CE1 4.45Å; I104-F139 HydrophobicContact CD1-CE2 4.1Å; I104-F139 HydrophobicContact CD1-CZ 3.99Å; I104-F139 HydrophobicContact CG1-CZ 4.26Å; I104-F139 HydrophobicContact CG2-CE1 4Å; I104-F139 HydrophobicContact CG2-CZ 3.7Å; I104-H143 HydrophobicContact CD1-CB 3.87Å; I104-H143 HydrophobicContact CG2-CB 4.41Å |
| 105 | V | 93 | Very high | 95.1 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.5 | -176.3 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | Q103 Y114 T115 R117 | Q103-V105 HydrophobicContact CB-CG1 4.48Å; Q103-V105 HydrophobicContact CG-CG1 4.25Å; V105-Y114 CarbonylContact O-C 3.55Å; V105-Y114 VanDerWaalsContact O-CA 3.23Å; V105-Y114 WeakPolarHBondContact O-CA 3.38Å; V105-T115 HydrophobicContact CG2-CG2 3.65Å; V105-T115 PolarHBondContact N-O 2.92Å; V105-T115 PolarHBondContact O-N 2.87Å; V105-R117 HydrophobicContact CG1-CB 4.33Å |
| 106 | T | 94.8 | Very high | 95.1 | Very high | 110 Ų | 110 | 38.2 Ų | 38.2 | 68% | 0.675 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 139.2 | 177.5 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | Y114 | T106-Y114 HydrophobicContact CG2-CD1 3.92Å; T106-Y114 HydrophobicContact CG2-CE1 3.5Å; T106-Y114 VanDerWaalsContact CG2-CE1 3.5Å |
| 107 | S | 94.7 | Very high | 95 | Very high | 29 Ų | 29 | 44 Ų | 44 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | trans | -156 | 130.8 | 177.6 | 180 | 0 | 0 | 0 | 0 | 111.6 | A109 G113 | S107-A109 PolarHBondContact O-N 3.24Å; S107-A109 WeakPolarHBondContact OG-CB 3.39Å; S107-A109 PolarHBondContact OG-N 2.91Å; S107-A109 VanDerWaalsContact OG-N 3.17Å; S107-G113 PolarHBondContact N-O 2.84Å; S107-G113 CarbonylContact O-C 3.5Å; S107-G113 VanDerWaalsContact O-CA 3.27Å; S107-G113 WeakPolarHBondContact O-CA 3.44Å | ||
| 108 | K | 94.9 | Very high | 94.8 | Very high | 192 Ų | 192 | 50.7 Ų | 50.7 | 84% | 0.835 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -6.1 | 173.3 | -61.3 | -174.7 | 179.8 | -176.3 | 0 | 113.1 | S81 F110 | S81-K108 WeakPolarHBondContact CB-O 3.42Å; S81-K108 PolarHBondContact OG-O 3.5Å; K108-F110 VanDerWaalsContact C-N 3.32Å; K108-F110 PolarHBondContact O-N 2.5Å |
| 109 | A | 95.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -22.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S81 S82 E83 S107 | S81-A109 WeakPolarHBondContact CB-O 3.46Å; S82-A109 PolarHBondContact N-O 3.11Å; S82-A109 WeakPolarHBondContact OG-CA 3.23Å; E83-A109 HydrophobicContact CB-CB 4.3Å; E83-A109 WeakPolarHBondContact CB-O 3.3Å; E83-A109 PolarHBondContact N-O 2.79Å; S107-A109 PolarHBondContact O-N 3.24Å; S107-A109 WeakPolarHBondContact OG-CB 3.39Å; S107-A109 PolarHBondContact OG-N 2.91Å; S107-A109 VanDerWaalsContact OG-N 3.17Å |
| 110 | F | 96.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -121.7 | 154.2 | -174.6 | -59 | -78.9 | 0 | 0 | 0 | 110.8 | S45 V46 G47 K48 E83 K108 V112 G113 T115 | S45-F110 WeakPolarHBondContact O-CB 3.27Å; V46-F110 VanDerWaalsContact O-CD2 3.29Å; V46-F110 WeakPolarHBondContact O-CD2 3.49Å; V46-F110 VanDerWaalsContact O-CG 3.29Å; V46-F110 WeakPolarHBondContact O-CG 3.21Å; G47-F110 VanDerWaalsContact CA-CE1 3.49Å; K48-F110 HydrophobicContact CG-CE1 4.24Å; K48-F110 HydrophobicContact CG-CZ 4.16Å; E83-F110 HydrophobicContact CB-CD1 4.19Å; E83-F110 HydrophobicContact CB-CE1 3.88Å; E83-F110 HydrophobicContact CB-CZ 4.29Å; E83-F110 HydrophobicContact CG-CD1 4.45Å; E83-F110 HydrophobicContact CG-CE1 3.68Å; E83-F110 HydrophobicContact CG-CZ 3.98Å; K108-F110 VanDerWaalsContact C-N 3.32Å; K108-F110 PolarHBondContact O-N 2.5Å; F110-V112 VanDerWaalsContact C-N 3.3Å; F110-V112 PolarHBondContact O-N 2.89Å; F110-G113 PolarHBondContact O-N 3.13Å; F110-G113 VanDerWaalsContact O-N 3.13Å; F110-T115 WeakPolarHBondContact CD2-OG1 3.25Å; F110-T115 WeakPolarHBondContact CE2-OG1 3.28Å |
| 111 | A | 96.5 | Very high | 94.8 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -29.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | L44 S45 R79 G113 | L44-A111 HydrophobicContact CB-CB 4.41Å; L44-A111 HydrophobicContact CD2-CB 4.48Å; S45-A111 PolarHBondContact O-N 2.85Å; S45-A111 VanDerWaalsContact O-N 3.16Å; S45-A111 WeakPolarHBondContact OG-CB 3.43Å; S45-A111 PolarHBondContact OG-N 2.88Å; R79-A111 HydrophobicContact CB-CB 3.98Å; R79-A111 WeakPolarHBondContact O-CB 3.48Å; A111-G113 PolarHBondContact O-N 3.32Å |
| 112 | V | 95.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 9% | 0.085 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.7 | 176.4 | 122.8 | 0 | 0 | 0 | 0 | 112.8 | V30 L44 S45 V46 F110 Y114 K136 F139 | V30-V112 HydrophobicContact CG2-CG2 3.7Å; L44-V112 HydrophobicContact CB-CG2 4.02Å; L44-V112 HydrophobicContact CD1-CG2 4.19Å; S45-V112 PolarHBondContact O-N 3.29Å; V46-V112 HydrophobicContact CG2-CB 4.06Å; V46-V112 HydrophobicContact CG2-CG1 4.12Å; V46-V112 HydrophobicContact CG2-CG2 4.18Å; F110-V112 VanDerWaalsContact C-N 3.3Å; F110-V112 PolarHBondContact O-N 2.89Å; V112-Y114 VanDerWaalsContact C-N 3.29Å; V112-Y114 HydrophobicContact CG1-CD2 4.16Å; V112-Y114 HydrophobicContact CG1-CG 4.46Å; V112-Y114 WeakPolarHBondContact O-CD2 3.43Å; V112-K136 HydrophobicContact CG2-CG 4.23Å; V112-F139 HydrophobicContact CG1-CD1 4.3Å; V112-F139 HydrophobicContact CG1-CE1 3.79Å; V112-F139 HydrophobicContact CG1-CZ 4.29Å |
| 113 | G | 95.7 | Very high | 95 | Very high | 29 Ų | 29 | 61.4 Ų | 61.4 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 82.9 | 2.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S107 F110 A111 | S107-G113 PolarHBondContact N-O 2.84Å; S107-G113 CarbonylContact O-C 3.5Å; S107-G113 VanDerWaalsContact O-CA 3.27Å; S107-G113 WeakPolarHBondContact O-CA 3.44Å; F110-G113 PolarHBondContact O-N 3.13Å; F110-G113 VanDerWaalsContact O-N 3.13Å; A111-G113 PolarHBondContact O-N 3.32Å |
| 114 | Y | 95.5 | Very high | 95.2 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 163.8 | 179.3 | -64.6 | -99 | 0 | 0 | 0 | 110.3 | I104 V105 T106 V112 F139 F140 H143 | I104-Y114 HydrophobicContact CG2-CD1 3.9Å; I104-Y114 HydrophobicContact CG2-CG 4.2Å; V105-Y114 CarbonylContact O-C 3.55Å; V105-Y114 VanDerWaalsContact O-CA 3.23Å; V105-Y114 WeakPolarHBondContact O-CA 3.38Å; T106-Y114 HydrophobicContact CG2-CD1 3.92Å; T106-Y114 HydrophobicContact CG2-CE1 3.5Å; T106-Y114 VanDerWaalsContact CG2-CE1 3.5Å; V112-Y114 VanDerWaalsContact C-N 3.29Å; V112-Y114 HydrophobicContact CG1-CD2 4.16Å; V112-Y114 HydrophobicContact CG1-CG 4.46Å; V112-Y114 WeakPolarHBondContact O-CD2 3.43Å; Y114-F139 HydrophobicContact CG-CE1 4.47Å; Y114-F140 AromaticContact CD2-CE1 3.7Å; Y114-F140 HydrophobicContact CD2-CE1 3.7Å; Y114-F140 AromaticContact CD2-CZ 3.96Å; Y114-F140 HydrophobicContact CD2-CZ 3.96Å; Y114-F140 HydrophobicContact CE2-CD1 4.46Å; Y114-F140 AromaticContact CE2-CE1 3.33Å; Y114-F140 HydrophobicContact CE2-CE1 3.33Å; Y114-F140 AromaticContact CE2-CZ 3.83Å; Y114-F140 HydrophobicContact CE2-CZ 3.83Å; Y114-F140 AromaticContact CZ-CE1 3.98Å; Y114-H143 AromaticContact CD1-NE2 3.99Å; Y114-H143 AromaticContact CE1-CD2 3.66Å; Y114-H143 AromaticContact CE1-NE2 3.34Å; Y114-H143 VanDerWaalsContact CE1-NE2 3.34Å; Y114-H143 WeakPolarHBondContact CE1-NE2 3.47Å |
| 115 | T | 95.9 | Very high | 95.2 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 173.1 | 172 | -157.3 | 0 | 0 | 0 | 0 | 111.8 | V46 V105 F110 | V46-T115 VanDerWaalsContact O-CA 3.25Å; V46-T115 WeakPolarHBondContact O-CA 3.46Å; V46-T115 WeakPolarHBondContact O-CB 3.3Å; V46-T115 PolarHBondContact O-OG1 2.84Å; V105-T115 HydrophobicContact CG2-CG2 3.65Å; V105-T115 PolarHBondContact N-O 2.92Å; V105-T115 PolarHBondContact O-N 2.87Å; F110-T115 WeakPolarHBondContact CD2-OG1 3.25Å; F110-T115 WeakPolarHBondContact CE2-OG1 3.28Å |
| 116 | L | 95 | Very high | 95.2 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.7 | -175 | -57.9 | -178.9 | 0 | 0 | 0 | 110.7 | L5 L7 V46 I99 A101 I104 P119 F139 | L5-L116 HydrophobicContact CD1-CD2 4.38Å; L5-L116 HydrophobicContact CD2-CD2 4.25Å; L7-L116 HydrophobicContact CD1-CD1 3.78Å; V46-L116 HydrophobicContact CG1-CG 4.26Å; I99-L116 HydrophobicContact CG2-CD1 3.74Å; A101-L116 HydrophobicContact CB-CB 3.93Å; A101-L116 HydrophobicContact CB-CD1 4.4Å; A101-L116 HydrophobicContact CB-CD2 4.13Å; A101-L116 HydrophobicContact CB-CG 4.38Å; I104-L116 HydrophobicContact CG1-CD2 3.87Å; L116-P119 HydrophobicContact CB-CB 3.92Å; L116-P119 HydrophobicContact CB-CG 4.21Å; L116-P119 HydrophobicContact CD1-CB 4.16Å; L116-P119 WeakPolarHBondContact O-CD 3.41Å; L116-F139 HydrophobicContact CD2-CE2 4.15Å; L116-F139 HydrophobicContact CD2-CZ 4.47Å |
| 117 | R | 94.5 | Very high | 95.1 | Very high | 121 Ų | 121 | 65 Ų | 65 | 46% | 0.457 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.9 | 172.7 | -169.7 | 179.2 | -179.9 | -171.8 | 1.2 | 110.2 | A102 Q103 V105 | A102-R117 PolarHBondContact N-O 3.3Å; Q103-R117 HydrophobicContact CB-CB 4.35Å; Q103-R117 WeakPolarHBondContact O-CB 3.5Å; Q103-R117 PolarHBondContact O-N 2.88Å; V105-R117 HydrophobicContact CG1-CB 4.33Å |
| 118 | F | 94 | Very high | 95.1 | Very high | 141 Ų | 141 | 66.1 Ų | 66.1 | 62% | 0.618 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 53.2 | 51.5 | -177.4 | -51.5 | -49.3 | 0 | 0 | 0 | 114.5 | A102 | A102-F118 HydrophobicContact CB-CD2 4.12Š|
| 119 | P | 95.6 | Very high | 95 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -67 | 136.4 | -179.9 | 29 | -33.5 | 0 | 0 | 0 | 111.3 | K48 V49 S51 I99 K100 L116 | K48-P119 WeakPolarHBondContact O-CG 3.09Å; V49-P119 HydrophobicContact CG2-CB 4.39Å; S51-P119 PolarHBondContact OG-O 2.92Å; I99-P119 HydrophobicContact CG2-CB 3.84Å; K100-P119 WeakPolarHBondContact O-CA 3.43Å; L116-P119 HydrophobicContact CB-CB 3.92Å; L116-P119 HydrophobicContact CB-CG 4.21Å; L116-P119 HydrophobicContact CD1-CB 4.16Å; L116-P119 WeakPolarHBondContact O-CD 3.41Å | ||
| 120 | R | 96 | Very high | 94.9 | Very high | 161 Ų | 161 | 60.5 Ų | 60.5 | 61% | 0.608 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.4 | 172.5 | -57.4 | -168 | 175.2 | 176.8 | -0.5 | 110 | I99 K100 | I99-R120 WeakPolarHBondContact CA-O 3.22Å; K100-R120 PolarHBondContact N-O 3.4Å; K100-R120 PolarHBondContact O-N 2.61Å |
| 121 | V | 96.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.048 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 127.2 | 169.5 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | V49 S51 G52 Y53 L97 I99 | V49-V121 HydrophobicContact CG1-CG2 4.04Å; V49-V121 HydrophobicContact CG2-CG2 3.72Å; S51-V121 PolarHBondContact O-N 3.01Å; G52-V121 CarbonylContact C-O 3.58Å; G52-V121 WeakPolarHBondContact CA-O 3.4Å; Y53-V121 HydrophobicContact CD1-CB 4.34Å; Y53-V121 HydrophobicContact CD1-CG2 3.94Å; Y53-V121 HydrophobicContact CE1-CG2 4.24Å; L97-V121 HydrophobicContact CB-CG1 4.47Å; L97-V121 HydrophobicContact CD1-CG2 3.98Å; L97-V121 HydrophobicContact CD2-CG1 4.21Å; I99-V121 HydrophobicContact CD1-CB 4.41Å; I99-V121 HydrophobicContact CD1-CG2 3.81Å |
| 122 | E | 94.8 | Very high | 94.6 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 41% | 0.407 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -39.8 | 173.4 | -173.3 | 165.6 | -146.7 | 0 | 0 | 110.6 | Q4 Q98 K100 | Q4-E122 WeakPolarHBondContact CG-OE2 3.44Å; Q4-E122 VanDerWaalsContact NE2-CD 3.3Å; Q4-E122 PolarHBondContact NE2-OE2 3.05Å; Q98-E122 PolarHBondContact O-N 2.93Å; K100-E122 IonicContact NZ-OE1 2.87Å |
| 123 | M | 94.5 | Very high | 94.6 | Very high | 88 Ų | 88 | 67 Ų | 67 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 145.2 | 179.3 | -169.2 | 162.8 | 72.6 | 0 | 0 | 111.6 | Q98 | Q98-M123 HydrophobicContact CB-CB 4.08Å; Q98-M123 WeakPolarHBondContact CB-O 3.14Å; Q98-M123 PolarHBondContact N-O 3.24Å |
| 124 | I | 95.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 109.4 | 168.2 | -56.6 | 176.1 | 0 | 0 | 0 | 107.8 | E57 V95 L97 R126 | E57-I124 HydrophobicContact CB-CD1 4.03Å; E57-I124 HydrophobicContact CG-CD1 4.35Å; V95-I124 HydrophobicContact CG1-CG2 4.45Å; V95-I124 HydrophobicContact CG2-CG2 3.63Å; L97-I124 HydrophobicContact CD2-CB 4.23Å; L97-I124 HydrophobicContact CD2-CG1 3.83Å; L97-I124 HydrophobicContact CD2-CG2 4.13Å; I124-R126 HydrophobicContact CG2-CG 4.33Å; I124-R126 PolarHBondContact O-N 3.41Å |
| 125 | R | 94.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 86.5 | -175.3 | -62.3 | -60.9 | -62.2 | -90.9 | 9.3 | 111.1 | D6 I96 Q98 D127 K128 | D6-R125 IonicContact OD1-CZ 3.77Å; D6-R125 IonicContact OD1-NH1 2.62Å; D6-R125 PolarHBondContact OD1-NH1 2.95Å; D6-R125 IonicContact OD2-CZ 3.36Å; D6-R125 IonicContact OD2-NH1 3.84Å; D6-R125 PolarHBondContact OD2-NH1 3.09Å; I96-R125 HydrophobicContact CB-CB 4.03Å; I96-R125 HydrophobicContact CG2-CB 3.95Å; I96-R125 HydrophobicContact CG2-CG 4.05Å; I96-R125 WeakPolarHBondContact O-CB 3.45Å; I96-R125 PolarHBondContact O-N 3.38Å; Q98-R125 HydrophobicContact CB-CG 4.04Å; R125-D127 VanDerWaalsContact C-N 3.28Å; R125-D127 WeakPolarHBondContact CA-OD1 3.38Å; R125-D127 IonicContact CZ-OD1 3.91Å; R125-D127 IonicContact CZ-OD2 2.68Å; R125-D127 IonicContact NE-OD1 3.42Å; R125-D127 PolarHBondContact NE-OD1 2.84Å; R125-D127 IonicContact NE-OD2 2.84Å; R125-D127 PolarHBondContact NE-OD2 2.86Å; R125-D127 IonicContact NH2-OD1 2.68Å; R125-D127 IonicContact NH2-OD2 3.96Å; R125-D127 PolarHBondContact NH2-OD2 3.28Å; R125-K128 HydrophobicContact CB-CB 4.45Å; R125-K128 VanDerWaalsContact NH2-CE 3.28Å |
| 126 | R | 91.2 | Very high | 94.7 | Very high | 150 Ų | 150 | 65.1 Ų | 65.1 | 57% | 0.566 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -78.9 | -16.6 | 175.5 | -60.7 | -175.1 | 179.9 | 93.6 | -5.4 | 112.7 | I124 | I124-R126 HydrophobicContact CG2-CG 4.33Å; I124-R126 PolarHBondContact O-N 3.41Å |
| 127 | D | 94.2 | Very high | 94.7 | Very high | 105 Ų | 105 | 66.4 Ų | 66.4 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -78.8 | -17.1 | 179.7 | 59.5 | -54.7 | 0 | 0 | 0 | 113.7 | R125 | R125-D127 VanDerWaalsContact C-N 3.28Å; R125-D127 WeakPolarHBondContact CA-OD1 3.38Å; R125-D127 IonicContact CZ-OD1 3.91Å; R125-D127 IonicContact CZ-OD2 2.68Å; R125-D127 IonicContact NE-OD1 3.42Å; R125-D127 PolarHBondContact NE-OD1 2.84Å; R125-D127 IonicContact NE-OD2 2.84Å; R125-D127 PolarHBondContact NE-OD2 2.86Å; R125-D127 IonicContact NH2-OD1 2.68Å; R125-D127 IonicContact NH2-OD2 3.96Å; R125-D127 PolarHBondContact NH2-OD2 3.28Å |
| 128 | K | 93.8 | Very high | 94.7 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -108.1 | 136.5 | -179 | -69.2 | -172.5 | 161.8 | -171.7 | 0 | 112.2 | D6 I96 R125 E132 | D6-K128 IonicContact OD2-NZ 2.61Å; D6-K128 PolarHBondContact OD2-NZ 3.35Å; I96-K128 HydrophobicContact CD1-CB 3.77Å; R125-K128 HydrophobicContact CB-CB 4.45Å; R125-K128 VanDerWaalsContact NH2-CE 3.28Å; K128-E132 HydrophobicContact CB-CB 4.31Å |
| 129 | G | 93.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 57 Ų | 57 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | trans | -72.7 | 154.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I96 R131 E132 | I96-G129 WeakPolarHBondContact CD1-O 3.3Å; G129-R131 PolarHBondContact O-N 3.38Å; G129-R131 VanDerWaalsContact O-N 3.11Å; G129-E132 PolarHBondContact N-OE1 3.4Å; G129-E132 WeakPolarHBondContact O-CB 3.32Å; G129-E132 PolarHBondContact O-N 2.92Å | ||
| 130 | W | 93.6 | Very high | 94.7 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -59.5 | -25.7 | -176 | 63 | -90.4 | 0 | 0 | 0 | 114.6 | L8 P41 F43 P91 E132 | L8-W130 HydrophobicContact CD1-CB 3.86Å; P41-W130 HydrophobicContact CG-CH2 3.93Å; P41-W130 HydrophobicContact CG-CZ3 3.53Å; F43-W130 HydrophobicContact CE2-CE3 4.28Å; F43-W130 AromaticContact CE2-CZ3 3.96Å; F43-W130 HydrophobicContact CE2-CZ3 3.96Å; F43-W130 AromaticContact CZ-CE3 3.73Å; F43-W130 HydrophobicContact CZ-CE3 3.73Å; F43-W130 AromaticContact CZ-CZ3 3.73Å; F43-W130 HydrophobicContact CZ-CZ3 3.73Å; P91-W130 HydrophobicContact CB-CD2 3.91Å; P91-W130 HydrophobicContact CB-CE3 3.36Å; P91-W130 HydrophobicContact CB-CH2 4.35Å; P91-W130 HydrophobicContact CB-CZ3 3.61Å; P91-W130 HydrophobicContact CG-CZ3 4.47Å; P91-W130 WeakPolarHBondContact O-CB 3.31Å; P91-W130 VanDerWaalsContact O-CG 3.22Å; W130-E132 VanDerWaalsContact C-N 3.31Å |
| 131 | R | 93.4 | Very high | 94.5 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -76.1 | -15.5 | 174.4 | -68 | -170.6 | 179.5 | -101.5 | -0.5 | 113.8 | R36 D38 V39 G129 C133 | R36-R131 PolarHBondContact O-NH1 2.69Å; R36-R131 VanDerWaalsContact O-NH1 3.08Å; D38-R131 PolarHBondContact O-NH1 2.94Å; D38-R131 PolarHBondContact O-NH2 3.29Å; V39-R131 PolarHBondContact O-NH2 3.35Å; G129-R131 PolarHBondContact O-N 3.38Å; G129-R131 VanDerWaalsContact O-N 3.11Å; R131-C133 VanDerWaalsContact C-N 3.27Å; R131-C133 PolarHBondContact O-N 3.46Å |
| 132 | E | 94.2 | Very high | 94.2 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -90.6 | 13.3 | 179 | -58.1 | 178 | -96.1 | 0 | 0 | 112.6 | K128 G129 W130 | K128-E132 HydrophobicContact CB-CB 4.31Å; G129-E132 PolarHBondContact N-OE1 3.4Å; G129-E132 WeakPolarHBondContact O-CB 3.32Å; G129-E132 PolarHBondContact O-N 2.92Å; W130-E132 VanDerWaalsContact C-N 3.31Å |
| 133 | C | 95.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -68.2 | 159.1 | 173.6 | 81.3 | 0 | 0 | 0 | 0 | 110.4 | L8 I96 R131 T135 | L8-C133 HydrophobicContact CB-CB 3.96Å; I96-C133 HydrophobicContact CD1-CB 3.72Å; I96-C133 HydrophobicContact CG1-CB 3.88Å; R131-C133 VanDerWaalsContact C-N 3.27Å; R131-C133 PolarHBondContact O-N 3.46Å; C133-T135 PolarHBondContact O-N 3.33Å |
| 134 | M | 96 | Very high | 93.7 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 136.5 | 177.8 | -178.1 | 174.4 | -75.6 | 0 | 0 | 111.4 | L5 D6 L7 V30 L31 E138 F139 L142 | L5-M134 HydrophobicContact CB-CE 4.17Å; L5-M134 HydrophobicContact CB-SD 4.27Å; L5-M134 HydrophobicContact CD2-SD 4.09Å; L5-M134 HydrophobicContact CG-CE 4.47Å; L5-M134 HydrophobicContact CG-SD 4.5Å; D6-M134 WeakPolarHBondContact O-CB 3.46Å; D6-M134 PolarHBondContact O-N 3.44Å; L7-M134 HydrophobicContact CD2-CB 4.35Å; L7-M134 HydrophobicContact CD2-SD 4.39Å; V30-M134 WeakPolarHBondContact CA-O 3.5Å; V30-M134 WeakPolarHBondContact CB-O 3.47Å; V30-M134 HydrophobicContact CG1-CG 4.47Å; L31-M134 PolarHBondContact N-O 2.89Å; M134-E138 HydrophobicContact CG-CB 3.71Å; M134-F139 HydrophobicContact CG-CB 4.38Å; M134-F139 HydrophobicContact SD-CB 4.05Å; M134-F139 HydrophobicContact SD-CD2 4.24Å; M134-L142 HydrophobicContact CE-CD1 3.42Å; M134-L142 VanDerWaalsContact CE-CD1 3.42Å; M134-L142 HydrophobicContact SD-CD1 4.1Å |
| 135 | T | 97 | Very high | 93.2 | Very high | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -81.1 | 159.6 | 173.5 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | L31 E33 C133 A137 E138 F139 | L31-T135 HydrophobicContact CB-CG2 4.46Å; L31-T135 HydrophobicContact CD2-CG2 4.33Å; L31-T135 CarbonylContact O-C 3.55Å; L31-T135 VanDerWaalsContact O-CA 3.3Å; L31-T135 WeakPolarHBondContact O-CA 3.12Å; E33-T135 HydrophobicContact CB-CG2 4.27Å; C133-T135 PolarHBondContact O-N 3.33Å; T135-A137 VanDerWaalsContact C-N 3.28Å; T135-A137 PolarHBondContact O-N 2.9Å; T135-E138 PolarHBondContact N-OE2 3.27Å; T135-E138 PolarHBondContact O-N 3.11Å; T135-E138 WeakPolarHBondContact OG1-CB 3.11Å; T135-E138 WeakPolarHBondContact OG1-CG 3.4Å; T135-E138 PolarHBondContact OG1-N 2.68Å; T135-E138 VanDerWaalsContact OG1-N 3.12Å; T135-E138 PolarHBondContact OG1-OE2 2.87Å; T135-F139 WeakPolarHBondContact O-CB 3.19Å; T135-F139 PolarHBondContact O-N 2.92Å |
| 136 | K | 96.2 | Very high | 92.5 | Very high | 44 Ų | 44 | 58 Ų | 58 | 19% | 0.191 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.6 | -44 | 171 | -179 | -164.7 | 75.9 | -138.1 | 0 | 110.5 | V30 L31 D32 E33 L44 V112 E138 F139 F140 | V30-K136 HydrophobicContact CG2-CB 4.13Å; L31-K136 PolarHBondContact O-N 2.68Å; D32-K136 IonicContact OD1-NZ 2.9Å; D32-K136 PolarHBondContact OD1-NZ 2.85Å; E33-K136 WeakPolarHBondContact OE1-CE 3.31Å; E33-K136 IonicContact OE1-NZ 2.74Å; E33-K136 PolarHBondContact OE1-NZ 3.44Å; E33-K136 VanDerWaalsContact OE2-CB 3.31Å; E33-K136 WeakPolarHBondContact OE2-CB 3.3Å; E33-K136 PolarHBondContact OE2-N 2.93Å; L44-K136 HydrophobicContact CD1-CB 4.14Å; L44-K136 HydrophobicContact CD1-CD 3.47Å; L44-K136 VanDerWaalsContact CD1-CD 3.47Å; L44-K136 HydrophobicContact CD1-CG 3.96Å; V112-K136 HydrophobicContact CG2-CG 4.23Å; K136-E138 PolarHBondContact O-N 3.28Å; K136-F139 WeakPolarHBondContact O-CB 3.17Å; K136-F139 PolarHBondContact O-N 2.87Å; K136-F140 HydrophobicContact CD-CE2 4.17Å; K136-F140 HydrophobicContact CG-CD2 3.8Å; K136-F140 HydrophobicContact CG-CE2 3.53Å; K136-F140 WeakPolarHBondContact O-CD2 3.12Å; K136-F140 PolarHBondContact O-N 3.36Å |
| 137 | A | 95.1 | Very high | 91.9 | Very high | 41 Ų | 41 | 54 Ų | 54 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E33 T135 F140 R141 | E33-A137 HydrophobicContact CG-CB 4.48Å; E33-A137 PolarHBondContact OE2-N 3.03Å; T135-A137 VanDerWaalsContact C-N 3.28Å; T135-A137 PolarHBondContact O-N 2.9Å; A137-F140 PolarHBondContact O-N 2.88Å; A137-R141 WeakPolarHBondContact O-CG 3.4Å; A137-R141 PolarHBondContact O-N 2.84Å |
| 138 | E | 94.8 | Very high | 90.8 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 174.8 | -77.6 | 159.3 | 164.1 | 0 | 0 | 112.7 | M134 T135 K136 F140 R141 L142 | M134-E138 HydrophobicContact CG-CB 3.71Å; T135-E138 PolarHBondContact N-OE2 3.27Å; T135-E138 PolarHBondContact O-N 3.11Å; T135-E138 WeakPolarHBondContact OG1-CB 3.11Å; T135-E138 WeakPolarHBondContact OG1-CG 3.4Å; T135-E138 PolarHBondContact OG1-N 2.68Å; T135-E138 VanDerWaalsContact OG1-N 3.12Å; T135-E138 PolarHBondContact OG1-OE2 2.87Å; K136-E138 PolarHBondContact O-N 3.28Å; E138-F140 VanDerWaalsContact C-N 3.32Å; E138-F140 PolarHBondContact O-N 2.77Å; E138-R141 PolarHBondContact O-N 2.84Å; E138-R141 IonicContact OE1-NH2 3.76Å; E138-L142 PolarHBondContact O-N 2.86Å; E138-L142 VanDerWaalsContact O-N 3.09Å |
| 139 | F | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 177.4 | 179.9 | -89.2 | 0 | 0 | 0 | 111.8 | L5 V30 V46 I104 V112 Y114 L116 M134 T135 K136 L142 H143 | L5-F139 HydrophobicContact CD2-CD2 3.72Å; L5-F139 HydrophobicContact CD2-CE2 3.72Å; V30-F139 HydrophobicContact CG1-CB 4.13Å; V30-F139 HydrophobicContact CG1-CD2 4.16Å; V30-F139 HydrophobicContact CG1-CG 4.32Å; V46-F139 HydrophobicContact CG1-CE2 3.62Å; V46-F139 HydrophobicContact CG1-CZ 3.75Å; I104-F139 HydrophobicContact CD1-CE1 4.45Å; I104-F139 HydrophobicContact CD1-CE2 4.1Å; I104-F139 HydrophobicContact CD1-CZ 3.99Å; I104-F139 HydrophobicContact CG1-CZ 4.26Å; I104-F139 HydrophobicContact CG2-CE1 4Å; I104-F139 HydrophobicContact CG2-CZ 3.7Å; V112-F139 HydrophobicContact CG1-CD1 4.3Å; V112-F139 HydrophobicContact CG1-CE1 3.79Å; V112-F139 HydrophobicContact CG1-CZ 4.29Å; Y114-F139 HydrophobicContact CG-CE1 4.47Å; L116-F139 HydrophobicContact CD2-CE2 4.15Å; L116-F139 HydrophobicContact CD2-CZ 4.47Å; M134-F139 HydrophobicContact CG-CB 4.38Å; M134-F139 HydrophobicContact SD-CB 4.05Å; M134-F139 HydrophobicContact SD-CD2 4.24Å; T135-F139 WeakPolarHBondContact O-CB 3.19Å; T135-F139 PolarHBondContact O-N 2.92Å; K136-F139 WeakPolarHBondContact O-CB 3.17Å; K136-F139 PolarHBondContact O-N 2.87Å; F139-L142 PolarHBondContact O-N 3.07Å; F139-H143 PolarHBondContact O-N 3.09Å; F139-H143 VanDerWaalsContact O-N 3.09Å |
| 140 | F | 93.6 | Very high | 87.5 | Confident | 53 Ų | 53 | 58.9 Ų | 58.9 | 23% | 0.232 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 177.5 | -80.1 | -67.2 | 0 | 0 | 0 | 113.1 | Y114 K136 A137 E138 L142 H143 E144 | Y114-F140 AromaticContact CD2-CE1 3.7Å; Y114-F140 HydrophobicContact CD2-CE1 3.7Å; Y114-F140 AromaticContact CD2-CZ 3.96Å; Y114-F140 HydrophobicContact CD2-CZ 3.96Å; Y114-F140 HydrophobicContact CE2-CD1 4.46Å; Y114-F140 AromaticContact CE2-CE1 3.33Å; Y114-F140 HydrophobicContact CE2-CE1 3.33Å; Y114-F140 AromaticContact CE2-CZ 3.83Å; Y114-F140 HydrophobicContact CE2-CZ 3.83Å; Y114-F140 AromaticContact CZ-CE1 3.98Å; K136-F140 HydrophobicContact CD-CE2 4.17Å; K136-F140 HydrophobicContact CG-CD2 3.8Å; K136-F140 HydrophobicContact CG-CE2 3.53Å; K136-F140 WeakPolarHBondContact O-CD2 3.12Å; K136-F140 PolarHBondContact O-N 3.36Å; A137-F140 PolarHBondContact O-N 2.88Å; E138-F140 VanDerWaalsContact C-N 3.32Å; E138-F140 PolarHBondContact O-N 2.77Å; F140-L142 VanDerWaalsContact C-N 3.28Å; F140-L142 PolarHBondContact O-N 2.9Å; F140-H143 WeakPolarHBondContact O-CB 3.48Å; F140-H143 PolarHBondContact O-N 3.01Å; F140-H143 VanDerWaalsContact O-N 3.09Å; F140-E144 WeakPolarHBondContact O-CG 3.42Å; F140-E144 PolarHBondContact O-N 3.44Å |
| 141 | R | 92.4 | Very high | 85.5 | Confident | 155 Ų | 155 | 61.2 Ų | 61.2 | 59% | 0.585 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57.8 | -41.4 | 174.4 | -73.8 | -171.8 | -65.9 | 173.4 | -0.2 | 112.1 | A137 E138 E144 A145 | A137-R141 WeakPolarHBondContact O-CG 3.4Å; A137-R141 PolarHBondContact O-N 2.84Å; E138-R141 PolarHBondContact O-N 2.84Å; E138-R141 IonicContact OE1-NH2 3.76Å; R141-E144 PolarHBondContact O-N 3.44Å; R141-A145 WeakPolarHBondContact O-CB 3.44Å; R141-A145 PolarHBondContact O-N 2.88Å; R141-A145 VanDerWaalsContact O-N 3.09Å |
| 142 | L | 90.1 | Very high | 83.3 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 19% | 0.194 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 175.7 | -71.1 | 178.6 | 0 | 0 | 0 | 112.3 | D3 M134 E138 F139 F140 A145 D146 | D3-L142 HydrophobicContact CB-CD2 3.99Å; M134-L142 HydrophobicContact CE-CD1 3.42Å; M134-L142 VanDerWaalsContact CE-CD1 3.42Å; M134-L142 HydrophobicContact SD-CD1 4.1Å; E138-L142 PolarHBondContact O-N 2.86Å; E138-L142 VanDerWaalsContact O-N 3.09Å; F139-L142 PolarHBondContact O-N 3.07Å; F140-L142 VanDerWaalsContact C-N 3.28Å; F140-L142 PolarHBondContact O-N 2.9Å; L142-A145 PolarHBondContact O-N 2.83Å; L142-D146 PolarHBondContact O-N 2.81Å |
| 143 | H | 89.6 | Confident | 80.8 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 176.1 | -178.9 | 41.3 | 0 | 0 | 0 | 112.2 | I104 Y114 F139 F140 D146 N147 | I104-H143 HydrophobicContact CD1-CB 3.87Å; I104-H143 HydrophobicContact CG2-CB 4.41Å; Y114-H143 AromaticContact CD1-NE2 3.99Å; Y114-H143 AromaticContact CE1-CD2 3.66Å; Y114-H143 AromaticContact CE1-NE2 3.34Å; Y114-H143 VanDerWaalsContact CE1-NE2 3.34Å; Y114-H143 WeakPolarHBondContact CE1-NE2 3.47Å; F139-H143 PolarHBondContact O-N 3.09Å; F139-H143 VanDerWaalsContact O-N 3.09Å; F140-H143 WeakPolarHBondContact O-CB 3.48Å; F140-H143 PolarHBondContact O-N 3.01Å; F140-H143 VanDerWaalsContact O-N 3.09Å; H143-D146 PolarHBondContact O-N 3.39Å; H143-N147 PolarHBondContact CE1-ND2 3.18Å; H143-N147 VanDerWaalsContact CE1-ND2 3.25Å; H143-N147 PolarHBondContact NE2-ND2 3.02Å; H143-N147 PolarHBondContact O-N 2.87Å; H143-N147 VanDerWaalsContact O-N 3.12Å; H143-N147 PolarHBondContact O-ND2 3.32Å |
| 144 | E | 88.7 | Confident | 77.9 | Confident | 123 Ų | 123 | 70 Ų | 70 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64 | -39.6 | 177.2 | -70.4 | 173.1 | 178.4 | 0 | 0 | 112.1 | F140 R141 N147 S148 | F140-E144 WeakPolarHBondContact O-CG 3.42Å; F140-E144 PolarHBondContact O-N 3.44Å; R141-E144 PolarHBondContact O-N 3.44Å; E144-N147 PolarHBondContact O-N 3.02Å; E144-S148 PolarHBondContact O-N 3.43Å; E144-S148 PolarHBondContact O-OG 3Å |
| 145 | A | 85.4 | Confident | 75 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R141 L142 S148 R149 | R141-A145 WeakPolarHBondContact O-CB 3.44Å; R141-A145 PolarHBondContact O-N 2.88Å; R141-A145 VanDerWaalsContact O-N 3.09Å; L142-A145 PolarHBondContact O-N 2.83Å; A145-S148 PolarHBondContact O-N 2.93Å; A145-R149 WeakPolarHBondContact O-CG 3.3Å; A145-R149 PolarHBondContact O-N 3.47Å; A145-R149 VanDerWaalsContact O-N 3.09Å |
| 146 | D | 80.4 | Confident | 72.2 | Confident | 11 Ų | 11 | 80 Ų | 80 | 6% | 0.059 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 177.9 | -165.4 | 50.2 | 0 | 0 | 0 | 111.9 | L142 H143 S148 R149 T150 | L142-D146 PolarHBondContact O-N 2.81Å; H143-D146 PolarHBondContact O-N 3.39Å; D146-S148 VanDerWaalsContact C-N 3.32Å; D146-S148 PolarHBondContact O-N 2.88Å; D146-R149 PolarHBondContact O-N 3.02Å; D146-T150 PolarHBondContact O-N 2.83Å; D146-T150 PolarHBondContact O-OG1 3.47Å |
| 147 | N | 77.9 | Confident | 69.2 | Low | 66 Ų | 66 | 86 Ų | 86 | 35% | 0.353 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 173.1 | -70.2 | -21.4 | 0 | 0 | 0 | 111.8 | H143 E144 T150 | H143-N147 PolarHBondContact CE1-ND2 3.18Å; H143-N147 VanDerWaalsContact CE1-ND2 3.25Å; H143-N147 PolarHBondContact NE2-ND2 3.02Å; H143-N147 PolarHBondContact O-N 2.87Å; H143-N147 VanDerWaalsContact O-N 3.12Å; H143-N147 PolarHBondContact O-ND2 3.32Å; E144-N147 PolarHBondContact O-N 3.02Å; N147-T150 WeakPolarHBondContact CA-OG1 3.49Å; N147-T150 PolarHBondContact O-N 3.12Å; N147-T150 PolarHBondContact O-OG1 3Å |
| 148 | S | 71.3 | Confident | 66.4 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.8 | -31.9 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | E144 A145 D146 T150 T151 | E144-S148 PolarHBondContact O-N 3.43Å; E144-S148 PolarHBondContact O-OG 3Å; A145-S148 PolarHBondContact O-N 2.93Å; D146-S148 VanDerWaalsContact C-N 3.32Å; D146-S148 PolarHBondContact O-N 2.88Å; S148-T150 VanDerWaalsContact C-N 3.28Å; S148-T150 PolarHBondContact O-N 2.85Å; S148-T151 PolarHBondContact O-OG1 2.93Å |
| 149 | R | 64.2 | Low | 63.6 | Low | 139 Ų | 139 | 96.6 Ų | 96.6 | 53% | 0.525 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.8 | -23.3 | 174.5 | -71 | 174.8 | -174.1 | 166.5 | 5.9 | 112.8 | D3 A145 D146 | D3-R149 IonicContact OD1-CZ 3.58Å; D3-R149 IonicContact OD1-NH1 3.6Å; D3-R149 PolarHBondContact OD1-NH1 3.1Å; D3-R149 VanDerWaalsContact OD1-NH1 3.07Å; D3-R149 IonicContact OD1-NH2 2.83Å; D3-R149 IonicContact OD2-NH1 2.57Å; D3-R149 IonicContact OD2-NH2 2.88Å; A145-R149 WeakPolarHBondContact O-CG 3.3Å; A145-R149 PolarHBondContact O-N 3.47Å; A145-R149 VanDerWaalsContact O-N 3.09Å; D146-R149 PolarHBondContact O-N 3.02Å |
| 150 | T | 54.4 | Low | 60.6 | Low | 76 Ų | 76 | 104.2 Ų | 104.2 | 47% | 0.466 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -90.4 | -7.4 | -175.7 | 29.4 | 0 | 0 | 0 | 0 | 114.1 | D146 N147 S148 H152 T153 | D146-T150 PolarHBondContact O-N 2.83Å; D146-T150 PolarHBondContact O-OG1 3.47Å; N147-T150 WeakPolarHBondContact CA-OG1 3.49Å; N147-T150 PolarHBondContact O-N 3.12Å; N147-T150 PolarHBondContact O-OG1 3Å; S148-T150 VanDerWaalsContact C-N 3.28Å; S148-T150 PolarHBondContact O-N 2.85Å; T150-H152 VanDerWaalsContact C-N 3.29Å; T150-H152 PolarHBondContact O-N 3.22Å; T150-T153 PolarHBondContact O-N 2.99Å |
| 151 | T | 50.3 | Low | 57.9 | Low | 110 Ų | 110 | 109.8 Ų | 109.8 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -17.2 | 177.8 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | S148 | S148-T151 PolarHBondContact O-OG1 2.93Š|
| 152 | H | 46.8 | Very low | 55 | Low | 179 Ų | 179 | 107.2 Ų | 107.2 | 83% | 0.829 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 3.3 | 174 | -82.6 | -75.2 | 0 | 0 | 0 | 114.5 | T150 | T150-H152 VanDerWaalsContact C-N 3.29Å; T150-H152 PolarHBondContact O-N 3.22Å |
| 153 | T | 42 | Very low | 52.5 | Low | 107 Ų | 107 | 113.8 Ų | 113.8 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -127.7 | 112.3 | 173.5 | -52 | 0 | 0 | 0 | 0 | 107.4 | T150 | T150-T153 PolarHBondContact O-N 2.99Š|
| 154 | S | 34.7 | Very low | 49.9 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 72% | 0.72 | 63% | 0.632 | S | S | * | * | trans | -30.7 | 128.3 | -171.9 | -51.7 | 0 | 0 | 0 | 0 | 113.3 | I156 | S154-I156 PolarHBondContact O-N 3.08Š| ||
| 155 | P | 35.6 | Very low | 47.8 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | trans | -61 | 112.8 | 178.1 | 25.1 | -31.2 | 0 | 0 | 0 | 107.5 | F157 | P155-F157 HydrophobicContact CB-CD2 4.03Å; P155-F157 HydrophobicContact CB-CE2 4.15Å; P155-F157 HydrophobicContact CG-CD2 3.86Å; P155-F157 HydrophobicContact CG-CE2 3.68Å; P155-F157 PolarHBondContact O-N 3.09Å | ||
| 156 | I | 38.1 | Very low | 45.4 | Very low | 138 Ų | 138 | 122 Ų | 122 | 71% | 0.708 | 66% | 0.661 | S | S | * | * | trans | -64.3 | 91.4 | 156.4 | -73.6 | 176.4 | 0 | 0 | 0 | 104.5 | S154 Y158 | S154-I156 PolarHBondContact O-N 3.08Å; I156-Y158 VanDerWaalsContact C-N 3.27Å; I156-Y158 HydrophobicContact CG2-CD2 3.83Å; I156-Y158 HydrophobicContact CG2-CE2 3.63Å; I156-Y158 PolarHBondContact O-N 3.25Å | ||
| 157 | F | 32.9 | Very low | 43.4 | Very low | 169 Ų | 169 | 131 Ų | 131 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | -57.3 | 95.3 | 165.3 | -92.2 | -92.8 | 0 | 0 | 0 | 106.9 | P155 I159 | P155-F157 HydrophobicContact CB-CD2 4.03Å; P155-F157 HydrophobicContact CB-CE2 4.15Å; P155-F157 HydrophobicContact CG-CD2 3.86Å; P155-F157 HydrophobicContact CG-CE2 3.68Å; P155-F157 PolarHBondContact O-N 3.09Å; F157-I159 PolarHBondContact O-N 2.97Å | ||
| 158 | Y | 35.7 | Very low | 41.3 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -68.1 | 91.7 | 154.7 | -81.3 | -83.1 | 0 | 0 | 0 | 106.3 | I156 N160 | I156-Y158 VanDerWaalsContact C-N 3.27Å; I156-Y158 HydrophobicContact CG2-CD2 3.83Å; I156-Y158 HydrophobicContact CG2-CE2 3.63Å; I156-Y158 PolarHBondContact O-N 3.25Å; Y158-N160 PolarHBondContact O-N 2.92Å | ||
| 159 | I | 36.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 68% | 0.677 | 74% | 0.739 | S | S | * | * | trans | -49.9 | 115.9 | 166.1 | -68.4 | 171.3 | 0 | 0 | 0 | 106.7 | F157 K161 | F157-I159 PolarHBondContact O-N 2.97Å; I159-K161 HydrophobicContact CG2-CG 4.2Å; I159-K161 PolarHBondContact O-N 3.18Å | ||
| 160 | N | 33.6 | Very low | 38.5 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | -57 | 82.5 | 164.3 | -84.2 | -29.7 | 0 | 0 | 0 | 108.8 | Y158 A162 | Y158-N160 PolarHBondContact O-N 2.92Å; N160-A162 VanDerWaalsContact C-N 3.26Å; N160-A162 PolarHBondContact O-N 3.17Å | ||
| 161 | K | 35.4 | Very low | 37.5 | Very low | 169 Ų | 169 | 143 Ų | 143 | 74% | 0.735 | 76% | 0.755 | S | S | * | * | trans | -80.1 | 90 | 154.6 | -80.8 | -172.6 | 178 | 175.9 | 0 | 106.1 | I159 K163 | I159-K161 HydrophobicContact CG2-CG 4.2Å; I159-K161 PolarHBondContact O-N 3.18Å; K161-K163 PolarHBondContact O-N 3.33Å | ||
| 162 | A | 32.5 | Very low | 36.7 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -52 | 88.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | N160 | N160-A162 VanDerWaalsContact C-N 3.26Å; N160-A162 PolarHBondContact O-N 3.17Å | ||
| 163 | K | 37.3 | Very low | 36 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -92.9 | 105.2 | 160.6 | -79 | -173.3 | 176.7 | -179.6 | 0 | 105.5 | K161 S165 | K161-K163 PolarHBondContact O-N 3.33Å; K163-S165 VanDerWaalsContact C-N 3.29Å; K163-S165 PolarHBondContact O-N 2.61Å | ||
| 164 | T | 35.5 | Very low | 35.6 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | -35.3 | 96.6 | 152.1 | 39 | 0 | 0 | 0 | 0 | 109.6 | C166 | T164-C166 PolarHBondContact O-N 2.88Š| ||
| 165 | S | 42.9 | Very low | 35.5 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -76.9 | 82.8 | 168.1 | 173.7 | 0 | 0 | 0 | 0 | 105.9 | K163 K167 | K163-S165 VanDerWaalsContact C-N 3.29Å; K163-S165 PolarHBondContact O-N 2.61Å; S165-K167 PolarHBondContact O-N 2.82Å; S165-K167 VanDerWaalsContact O-N 3.13Å | ||
| 166 | C | 36.5 | Very low | 35.5 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | trans | -49.3 | 122.1 | 155.3 | -85.8 | 0 | 0 | 0 | 0 | 106.4 | T164 R168 | T164-C166 PolarHBondContact O-N 2.88Å; C166-R168 PolarHBondContact O-N 2.94Å | ||
| 167 | K | 36.9 | Very low | 35.7 | Very low | 201 Ų | 201 | 146 Ų | 146 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -50.9 | 88.8 | 168.6 | -68.9 | 177.3 | 178.9 | 175.2 | 0 | 108.2 | S165 K169 | S165-K167 PolarHBondContact O-N 2.82Å; S165-K167 VanDerWaalsContact O-N 3.13Å; K167-K169 PolarHBondContact O-N 2.79Å | ||
| 168 | R | 34.7 | Very low | 36.3 | Very low | 238 Ų | 238 | 141.7 Ų | 141.7 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | trans | -73.3 | 96.4 | 160.3 | -73.8 | -174 | 179.7 | 168.8 | -0.4 | 104.1 | C166 A170 | C166-R168 PolarHBondContact O-N 2.94Å; R168-A170 PolarHBondContact O-N 2.89Å | ||
| 169 | K | 39.2 | Very low | 37.1 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | trans | -45.2 | 113.7 | 155.9 | -68.1 | -178.7 | 177.1 | -178.8 | 0 | 104.7 | K167 P171 | K167-K169 PolarHBondContact O-N 2.79Å; K169-P171 VanDerWaalsContact O-N 3.17Å | ||
| 170 | A | 36.5 | Very low | 37.8 | Very low | 82 Ų | 82 | 131.4 Ų | 131.4 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | -50.6 | 128.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 104.7 | R168 T172 | R168-A170 PolarHBondContact O-N 2.89Å; A170-T172 PolarHBondContact O-N 2.79Å | ||
| 171 | P | 35.1 | Very low | 38.7 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | -54.4 | 127.8 | 170.6 | 17.6 | -17.9 | 0 | 0 | 0 | 104.7 | K169 I173 | K169-P171 VanDerWaalsContact O-N 3.17Å; P171-I173 HydrophobicContact CB-CG1 4.1Å; P171-I173 HydrophobicContact CG-CD1 4.36Å; P171-I173 HydrophobicContact CG-CG1 3.98Å; P171-I173 PolarHBondContact O-N 2.74Å | ||
| 172 | T | 33.2 | Very low | 39.6 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 71% | 0.707 | S | S | * | * | trans | -60.5 | 82.7 | 157.8 | -56.9 | 0 | 0 | 0 | 0 | 104.3 | A170 I174 | A170-T172 PolarHBondContact O-N 2.79Å; T172-I174 PolarHBondContact O-N 3.1Å | ||
| 173 | I | 31.1 | Very low | 40.8 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 66% | 0.656 | 67% | 0.672 | S | S | * | * | trans | -65.6 | 102.6 | 166.2 | -62 | 176.6 | 0 | 0 | 0 | 101.6 | P171 M175 | P171-I173 HydrophobicContact CB-CG1 4.1Å; P171-I173 HydrophobicContact CG-CD1 4.36Å; P171-I173 HydrophobicContact CG-CG1 3.98Å; P171-I173 PolarHBondContact O-N 2.74Å; I173-M175 PolarHBondContact O-N 2.98Å | ||
| 174 | I | 33.4 | Very low | 41.4 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | -52.6 | 102.2 | 157.1 | -63.4 | 171.9 | 0 | 0 | 0 | 103.1 | T172 E176 | T172-I174 PolarHBondContact O-N 3.1Å; I174-E176 PolarHBondContact O-N 2.87Å | ||
| 175 | M | 32.8 | Very low | 42.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 66% | 0.66 | 67% | 0.674 | S | S | * | * | trans | -68.1 | 94.9 | -177.5 | -139.9 | -177.6 | 90.2 | 0 | 0 | 104.8 | I173 Q177 | I173-M175 PolarHBondContact O-N 2.98Å; M175-Q177 PolarHBondContact O-N 3.06Å; M175-Q177 VanDerWaalsContact O-N 3.1Å | ||
| 176 | E | 36.4 | Very low | 43.5 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -53.3 | 121 | 175.9 | -130.9 | 171.1 | -166.4 | 0 | 0 | 106.4 | I174 S178 | I174-E176 PolarHBondContact O-N 2.87Å; E176-S178 PolarHBondContact O-N 3.46Å | ||
| 177 | Q | 42.9 | Very low | 44.8 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 41% | 0.411 | 65% | 0.652 | S | S | . | * | trans | -73.2 | 52.3 | -178.8 | -65.1 | -179.6 | -39.1 | 0 | 0 | 109.5 | M175 V224 V228 | M175-Q177 PolarHBondContact O-N 3.06Å; M175-Q177 VanDerWaalsContact O-N 3.1Å; Q177-V224 HydrophobicContact CB-CG1 4.44Å; Q177-V224 HydrophobicContact CG-CG1 4.38Å; Q177-V228 PolarHBondContact NE2-O 2.97Å | ||
| 178 | S | 44.7 | Very low | 46.2 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | trans | -67.2 | 127.9 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 108.2 | E176 S180 | E176-S178 PolarHBondContact O-N 3.46Å; S178-S180 PolarHBondContact O-N 2.94Å | ||
| 179 | P | 51.4 | Low | 47.6 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | trans | -54.3 | 141.8 | 172.9 | 18.6 | -26.9 | 0 | 0 | 0 | 109.1 | K181 | P179-K181 PolarHBondContact O-N 3.43Å; P179-K181 VanDerWaalsContact O-N 3.13Å | ||
| 180 | S | 50.8 | Low | 49.2 | Very low | 38 Ų | 38 | 112.5 Ų | 112.5 | 27% | 0.266 | 59% | 0.592 | S | S | . | * | trans | -43.3 | 125.2 | 178 | -68.1 | 0 | 0 | 0 | 0 | 109.4 | S178 R182 L183 Q225 | S178-S180 PolarHBondContact O-N 2.94Å; S180-R182 PolarHBondContact O-N 2.92Å; S180-L183 PolarHBondContact O-N 3.47Å; S180-Q225 PolarHBondContact OG-NE2 3.21Å | ||
| 181 | K | 52.7 | Low | 51 | Low | 193 Ų | 193 | 113.9 Ų | 113.9 | 84% | 0.839 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.8 | -2.8 | -176.9 | -67.5 | -178.7 | 176.4 | -177.6 | 0 | 116 | P179 C184 | P179-K181 PolarHBondContact O-N 3.43Å; P179-K181 VanDerWaalsContact O-N 3.13Å; K181-C184 PolarHBondContact O-SG 3.18Å |
| 182 | R | 55.6 | Low | 52.9 | Low | 207 Ų | 207 | 110.3 Ų | 110.3 | 78% | 0.781 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -22.7 | 179.6 | -55.3 | -172 | -155.9 | 179.5 | 7.1 | 114 | S180 C184 | S180-R182 PolarHBondContact O-N 2.92Å; R182-C184 VanDerWaalsContact C-N 3.31Å; R182-C184 PolarHBondContact O-N 3.04Å |
| 183 | L | 58 | Low | 54.9 | Low | 20 Ų | 20 | 104 Ų | 104 | 11% | 0.105 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -82.6 | -6 | -173.6 | -70.6 | 162.4 | 0 | 0 | 0 | 114 | S180 K185 I186 E213 Q214 V217 V223 | S180-L183 PolarHBondContact O-N 3.47Å; L183-K185 PolarHBondContact O-N 3.27Å; L183-I186 HydrophobicContact CD2-CD1 3.9Å; L183-I186 PolarHBondContact O-N 3.17Å; L183-E213 HydrophobicContact CD1-CB 4.33Å; L183-E213 HydrophobicContact CD2-CB 4.47Å; L183-Q214 HydrophobicContact CD2-CB 4.45Å; L183-V217 HydrophobicContact CB-CG2 4.34Å; L183-V217 HydrophobicContact CD1-CG2 4.01Å; L183-V217 HydrophobicContact CD2-CG2 4.06Å; L183-V217 HydrophobicContact CG-CG2 4.36Å; L183-V223 HydrophobicContact CD1-CB 4.18Å; L183-V223 HydrophobicContact CD1-CG1 4.46Å; L183-V223 HydrophobicContact CD1-CG2 4.31Å |
| 184 | C | 49.9 | Very low | 56.9 | Low | 110 Ų | 110 | 103.8 Ų | 103.8 | 74% | 0.743 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -64 | -6 | -172.5 | -41.5 | 0 | 0 | 0 | 0 | 115.3 | K181 R182 | K181-C184 PolarHBondContact O-SG 3.18Å; R182-C184 VanDerWaalsContact C-N 3.31Å; R182-C184 PolarHBondContact O-N 3.04Å |
| 185 | K | 59 | Low | 58.9 | Low | 203 Ų | 203 | 100.3 Ų | 100.3 | 88% | 0.883 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -100.9 | -5.4 | -175.8 | -67.9 | -175.1 | 178.9 | -177.4 | 0 | 114.4 | L183 | L183-K185 PolarHBondContact O-N 3.27Š|
| 186 | I | 62.7 | Low | 61.3 | Low | 44 Ų | 44 | 98.5 Ų | 98.5 | 23% | 0.226 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 127.3 | -172.7 | -62.7 | 150 | 0 | 0 | 0 | 109.4 | L183 Q214 V217 E218 | L183-I186 HydrophobicContact CD2-CD1 3.9Å; L183-I186 PolarHBondContact O-N 3.17Å; I186-Q214 HydrophobicContact CD1-CB 4.03Å; I186-Q214 HydrophobicContact CD1-CG 3.64Å; I186-Q214 HydrophobicContact CG1-CG 4.44Å; I186-V217 HydrophobicContact CB-CG1 4.24Å; I186-V217 HydrophobicContact CG2-CG1 4.23Å; I186-E218 HydrophobicContact CG2-CG 3.72Å |
| 187 | K | 64 | Low | 63.7 | Low | 185 Ų | 185 | 93.3 Ų | 93.3 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 135.2 | 173.7 | -65.3 | -178.1 | 179.8 | -179.5 | 0 | 109 | L189 | K187-L189 PolarHBondContact O-N 3.42Š|
| 188 | S | 65.1 | Low | 65.9 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -63 | 126.3 | 170.6 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | E218 | S188-E218 CarbonylContact C-O 3.57Š|
| 189 | L | 65.7 | Low | 68 | Low | 122 Ų | 122 | 85.4 Ų | 85.4 | 64% | 0.639 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -80.2 | -38.1 | 176.2 | -71.1 | 169.3 | 0 | 0 | 0 | 110.4 | K187 E218 | K187-L189 PolarHBondContact O-N 3.42Å; L189-E218 HydrophobicContact CD1-CB 4.43Å; L189-E218 HydrophobicContact CD1-CG 4.5Å; L189-E218 PolarHBondContact N-O 3.43Å |
| 190 | V | 72 | Confident | 69.9 | Low | 45 Ų | 45 | 81.9 Ų | 81.9 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | trans | -147.6 | 138.1 | -175.6 | -163.2 | 0 | 0 | 0 | 0 | 108.5 | V192 E218 L219 G220 Q267 | V190-V192 HydrophobicContact CB-CG2 3.83Å; V190-V192 HydrophobicContact CG1-CG2 3.45Å; V190-V192 VanDerWaalsContact CG1-CG2 3.45Å; V190-V192 PolarHBondContact O-N 3.24Å; V190-V192 VanDerWaalsContact O-N 3.11Å; V190-E218 PolarHBondContact N-O 3Å; V190-L219 CarbonylContact O-C 3.44Å; V190-L219 WeakPolarHBondContact O-CA 3.46Å; V190-G220 PolarHBondContact O-N 3.21Å; V190-Q267 HydrophobicContact CG2-CB 4.21Å; V190-Q267 HydrophobicContact CG2-CG 4.41Å | ||
| 191 | N | 75 | Confident | 71.6 | Confident | 111 Ų | 111 | 81 Ų | 81 | 59% | 0.594 | 41% | 0.412 | S | S | * | . | trans | -88.9 | 56.6 | -179.2 | -65.8 | -21.6 | 0 | 0 | 0 | 111.3 | D194 | N191-D194 HydrophobicContact CB-CB 4.38Š| ||
| 192 | V | 74.9 | Confident | 73.3 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -33.9 | -176.4 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | V190 L219 Q267 L269 | V190-V192 HydrophobicContact CB-CG2 3.83Å; V190-V192 HydrophobicContact CG1-CG2 3.45Å; V190-V192 VanDerWaalsContact CG1-CG2 3.45Å; V190-V192 PolarHBondContact O-N 3.24Å; V190-V192 VanDerWaalsContact O-N 3.11Å; V192-L219 HydrophobicContact CG2-CD2 4.36Å; V192-L219 PolarHBondContact N-O 3.04Å; V192-Q267 WeakPolarHBondContact CG2-O 3.36Å; V192-L269 VanDerWaalsContact CG1-CA 3.5Å; V192-L269 HydrophobicContact CG1-CB 3.5Å; V192-L269 VanDerWaalsContact CG1-CB 3.5Å; V192-L269 HydrophobicContact CG1-CD1 4.39Å |
| 193 | F | 75.6 | Confident | 74.7 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 26.4 | -178.3 | -77.4 | -98.6 | 0 | 0 | 0 | 112.7 | G195 R196 V198 L219 G221 F232 W259 L260 C263 L269 | F193-G195 PolarHBondContact O-N 2.81Å; F193-R196 HydrophobicContact CB-CB 4.43Å; F193-R196 HydrophobicContact CD1-CB 4.26Å; F193-R196 WeakPolarHBondContact O-CB 3.49Å; F193-R196 PolarHBondContact O-N 3.5Å; F193-V198 HydrophobicContact CD1-CG2 3.94Å; F193-V198 HydrophobicContact CE1-CG2 4.06Å; F193-L219 HydrophobicContact CD2-CB 3.67Å; F193-L219 HydrophobicContact CD2-CD1 4.34Å; F193-L219 HydrophobicContact CE2-CB 4.11Å; F193-L219 HydrophobicContact CE2-CD1 3.9Å; F193-L219 PolarHBondContact N-O 3.39Å; F193-G221 VanDerWaalsContact CB-CA 3.45Å; F193-F232 HydrophobicContact CE1-CD1 4.31Å; F193-F232 HydrophobicContact CE1-CE1 4.23Å; F193-W259 AromaticContact CE1-CH2 3.6Å; F193-W259 HydrophobicContact CE1-CH2 3.6Å; F193-W259 HydrophobicContact CE1-CZ3 4.21Å; F193-W259 AromaticContact CZ-CH2 3.46Å; F193-W259 HydrophobicContact CZ-CH2 3.46Å; F193-W259 VanDerWaalsContact CZ-CH2 3.46Å; F193-W259 HydrophobicContact CZ-CZ2 4.14Å; F193-W259 HydrophobicContact CZ-CZ3 4.01Å; F193-L260 HydrophobicContact CZ-CD1 4.47Å; F193-C263 HydrophobicContact CE2-CB 4.44Å; F193-L269 HydrophobicContact CD1-CD1 4.38Å; F193-L269 HydrophobicContact CE1-CD1 3.81Å; F193-L269 HydrophobicContact CE2-CD1 3.95Å; F193-L269 HydrophobicContact CZ-CD1 3.57Å |
| 194 | D | 71.6 | Confident | 76.1 | Confident | 123 Ų | 123 | 64.8 Ų | 64.8 | 66% | 0.658 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 127 | -176.4 | -165.1 | 15 | 0 | 0 | 0 | 111.3 | N191 R196 | N191-D194 HydrophobicContact CB-CB 4.38Å; D194-R196 VanDerWaalsContact C-N 3.26Å; D194-R196 PolarHBondContact O-N 2.96Å |
| 195 | G | 75.7 | Confident | 77.7 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 78% | 0.784 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 1.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | F193 | F193-G195 PolarHBondContact O-N 2.81Š|
| 196 | R | 83.3 | Confident | 79 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 36% | 0.362 | 34% | 0.343 | S | S | . | . | trans | -100.8 | 128.7 | -178.2 | -60.9 | -175.2 | -170.1 | -141.9 | 1.7 | 111.7 | F193 D194 A222 F232 | F193-R196 HydrophobicContact CB-CB 4.43Å; F193-R196 HydrophobicContact CD1-CB 4.26Å; F193-R196 WeakPolarHBondContact O-CB 3.49Å; F193-R196 PolarHBondContact O-N 3.5Å; D194-R196 VanDerWaalsContact C-N 3.26Å; D194-R196 PolarHBondContact O-N 2.96Å; R196-A222 PolarHBondContact O-N 2.81Å; R196-F232 HydrophobicContact CB-CB 3.91Å; R196-F232 HydrophobicContact CB-CD1 4.35Å; R196-F232 HydrophobicContact CB-CG 4.14Å; R196-F232 HydrophobicContact CG-CB 4.34Å; R196-F232 HydrophobicContact CG-CG 4.23Å | ||
| 197 | Q | 87.4 | Confident | 80.1 | Confident | 58 Ų | 58 | 63 Ų | 63 | 27% | 0.271 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 129.9 | 173.2 | -71.1 | -176.4 | -0.8 | 0 | 0 | 110.6 | A222 V224 I231 F232 | Q197-A222 CarbonylContact C-O 3.51Å; Q197-A222 VanDerWaalsContact CA-O 3.28Å; Q197-A222 WeakPolarHBondContact CA-O 3.46Å; Q197-A222 HydrophobicContact CG-CB 4.02Å; Q197-V224 HydrophobicContact CB-CG2 3.8Å; Q197-V224 HydrophobicContact CG-CG2 3.93Å; Q197-I231 HydrophobicContact CB-CG1 4.5Å; Q197-I231 VanDerWaalsContact O-CG2 3.24Å; Q197-I231 WeakPolarHBondContact O-CG2 3.25Å; Q197-F232 WeakPolarHBondContact O-CB 3.4Å; Q197-F232 PolarHBondContact O-N 2.63Å |
| 198 | V | 89.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.7 | 178.2 | -177 | 0 | 0 | 0 | 0 | 109.4 | F193 I200 V216 A222 V223 V224 C233 V235 | F193-V198 HydrophobicContact CD1-CG2 3.94Å; F193-V198 HydrophobicContact CE1-CG2 4.06Å; V198-I200 HydrophobicContact CG1-CD1 4.1Å; V198-V216 HydrophobicContact CB-CG1 3.94Å; V198-V216 HydrophobicContact CB-CG2 4.19Å; V198-V216 HydrophobicContact CG1-CG2 4.04Å; V198-V216 HydrophobicContact CG2-CG1 4.14Å; V198-A222 PolarHBondContact N-O 3.1Å; V198-V223 WeakPolarHBondContact O-CA 3.39Å; V198-V224 PolarHBondContact O-N 2.76Å; V198-C233 WeakPolarHBondContact CA-O 3.41Å; V198-V235 HydrophobicContact CG1-CG2 3.68Å |
| 199 | C | 88.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.7 | 177.3 | -175 | 0 | 0 | 0 | 0 | 110.9 | V224 I231 C233 A234 V235 | C199-V224 WeakPolarHBondContact CA-O 3.34Å; C199-V224 PolarHBondContact SG-O 3.21Å; C199-I231 HydrophobicContact CB-CD1 4.34Å; C199-I231 HydrophobicContact CB-CG2 4.19Å; C199-C233 PolarHBondContact N-O 3.13Å; C199-A234 HydrophobicContact CB-CB 4.49Å; C199-A234 CarbonylContact O-C 2.87Å; C199-A234 VanDerWaalsContact O-CA 3.25Å; C199-A234 WeakPolarHBondContact O-CA 3.43Å; C199-V235 PolarHBondContact O-N 3.45Å |
| 200 | I | 90.6 | Very high | 83.4 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 110.6 | 174.8 | -51.3 | -54.7 | 0 | 0 | 0 | 109.4 | V198 K209 L212 E213 V216 V235 L260 | V198-I200 HydrophobicContact CG1-CD1 4.1Å; I200-K209 HydrophobicContact CB-CG 4.41Å; I200-K209 HydrophobicContact CG2-CG 3.85Å; I200-K209 VanDerWaalsContact O-CE 3.28Å; I200-K209 WeakPolarHBondContact O-CE 3.41Å; I200-L212 HydrophobicContact CD1-CB 4.13Å; I200-L212 HydrophobicContact CG1-CB 4.2Å; I200-L212 HydrophobicContact CG2-CB 3.83Å; I200-L212 HydrophobicContact CG2-CD1 3.84Å; I200-L212 HydrophobicContact CG2-CG 4.46Å; I200-E213 HydrophobicContact CB-CG 3.92Å; I200-E213 HydrophobicContact CG1-CB 4.45Å; I200-E213 HydrophobicContact CG1-CG 3.64Å; I200-V216 HydrophobicContact CD1-CG2 3.94Å; I200-V235 HydrophobicContact CD1-CB 3.74Å; I200-V235 HydrophobicContact CD1-CG1 4.37Å; I200-V235 HydrophobicContact CD1-CG2 4.21Å; I200-L260 HydrophobicContact CD1-CD2 4.29Å |
| 201 | L | 86.9 | Confident | 84.2 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -47 | -179.7 | -62.9 | 177.7 | 0 | 0 | 0 | 111.5 | P227 A234 V235 C236 V243 V246 | L201-P227 HydrophobicContact CD2-CB 4.49Å; L201-P227 HydrophobicContact CD2-CG 4.17Å; L201-A234 HydrophobicContact CD1-CB 3.94Å; L201-A234 HydrophobicContact CG-CB 4.18Å; L201-V235 PolarHBondContact N-O 3.23Å; L201-C236 HydrophobicContact CB-CB 4.38Å; L201-V243 HydrophobicContact CB-CG2 4.11Å; L201-V243 HydrophobicContact CD1-CB 4.39Å; L201-V243 HydrophobicContact CD1-CG1 4.47Å; L201-V243 HydrophobicContact CD1-CG2 3.93Å; L201-V246 HydrophobicContact CD1-CB 4.37Å; L201-V246 HydrophobicContact CD1-CG2 4.1Å; L201-V246 HydrophobicContact CD2-CG2 4.21Å |
| 202 | N | 87.8 | Confident | 84.9 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 148.8 | -174.5 | -80.5 | -15.6 | 0 | 0 | 0 | 111.8 | G237 K238 T240 | N202-G237 PolarHBondContact O-N 3.25Å; N202-G237 VanDerWaalsContact O-N 3.14Å; N202-K238 PolarHBondContact ND2-O 3.28Å; N202-K238 VanDerWaalsContact ND2-O 3.16Å; N202-T240 WeakPolarHBondContact ND2-CB 3.24Å; N202-T240 WeakPolarHBondContact ND2-CG2 3.42Å; N202-T240 PolarHBondContact ND2-OG1 3.04Å |
| 203 | G | 85.1 | Confident | 85.6 | Confident | 19 Ų | 19 | 50 Ų | 50 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -74.1 | 172.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | H207 | G203-H207 CarbonylContact C-O 3.44Å; G203-H207 VanDerWaalsContact CA-O 3.23Å; G203-H207 WeakPolarHBondContact CA-O 3.5Å | ||
| 204 | T | 86.6 | Confident | 86.2 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | trans | -96 | 179.6 | 165.9 | 62.7 | 0 | 0 | 0 | 0 | 109.8 | Q206 H207 G237 A257 | T204-Q206 PolarHBondContact O-N 3.49Å; T204-Q206 PolarHBondContact OG1-N 3.47Å; T204-Q206 PolarHBondContact OG1-OE1 3.39Å; T204-H207 PolarHBondContact N-O 3.06Å; T204-H207 PolarHBondContact OG1-N 2.85Å; T204-G237 VanDerWaalsContact CG2-CA 3.47Å; T204-A257 HydrophobicContact CG2-CB 3.43Å; T204-A257 VanDerWaalsContact CG2-CB 3.43Å | ||
| 205 | D | 84.2 | Confident | 86.9 | Confident | 123 Ų | 123 | 47.9 Ų | 47.9 | 66% | 0.658 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -67 | -27.6 | 171.9 | -71.8 | -46.3 | 0 | 0 | 0 | 112.3 | K238 | D205-K238 VanDerWaalsContact CG-CE 3.44Å; D205-K238 VanDerWaalsContact OD1-CE 3.29Å; D205-K238 WeakPolarHBondContact OD1-CE 2.9Å; D205-K238 IonicContact OD1-NZ 3.86Å; D205-K238 PolarHBondContact OD1-NZ 2.81Å; D205-K238 WeakPolarHBondContact OD2-CE 3.37Å; D205-K238 IonicContact OD2-NZ 3.07Å; D205-K238 PolarHBondContact OD2-NZ 2.98Å |
| 206 | Q | 86.4 | Confident | 87.6 | Confident | 148 Ų | 148 | 44.2 Ų | 44.2 | 69% | 0.692 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -89.6 | -32.5 | -179.4 | -59.4 | 77.6 | 14.8 | 0 | 0 | 112.7 | T204 | T204-Q206 PolarHBondContact O-N 3.49Å; T204-Q206 PolarHBondContact OG1-N 3.47Å; T204-Q206 PolarHBondContact OG1-OE1 3.39Å |
| 207 | H | 86.5 | Confident | 87.8 | Confident | 48 Ų | 48 | 41 Ų | 41 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -125 | 120.5 | -174.6 | -63.6 | -75.4 | 0 | 0 | 0 | 111.4 | G203 T204 L212 | G203-H207 CarbonylContact C-O 3.44Å; G203-H207 VanDerWaalsContact CA-O 3.23Å; G203-H207 WeakPolarHBondContact CA-O 3.5Å; T204-H207 PolarHBondContact N-O 3.06Å; T204-H207 PolarHBondContact OG1-N 2.85Å; H207-L212 HydrophobicContact CB-CD2 3.77Å; H207-L212 HydrophobicContact CB-CG 4.23Å |
| 208 | S | 89.4 | Confident | 87.7 | Confident | 58 Ų | 58 | 39.2 Ų | 39.2 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | trans | -63 | 161.5 | 172.8 | 85.9 | 0 | 0 | 0 | 0 | 111.1 | E210 S211 L212 | S208-E210 WeakPolarHBondContact CB-OE2 3.34Å; S208-E210 PolarHBondContact O-N 2.84Å; S208-E210 PolarHBondContact OG-N 2.87Å; S208-E210 PolarHBondContact OG-OE2 3.04Å; S208-S211 WeakPolarHBondContact O-CB 3.24Å; S208-S211 PolarHBondContact O-N 3.29Å; S208-S211 VanDerWaalsContact O-N 3.1Å; S208-S211 PolarHBondContact OG-N 2.94Å; S208-L212 PolarHBondContact O-N 3.45Å; S208-L212 VanDerWaalsContact O-N 3.11Å | ||
| 209 | K | 87.2 | Confident | 87.6 | Confident | 65 Ų | 65 | 39.5 Ų | 39.5 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -54.8 | -43.9 | 174.6 | 176.7 | 176.1 | 166.3 | 177.9 | 0 | 110.7 | I200 S211 L212 E213 | I200-K209 HydrophobicContact CB-CG 4.41Å; I200-K209 HydrophobicContact CG2-CG 3.85Å; I200-K209 VanDerWaalsContact O-CE 3.28Å; I200-K209 WeakPolarHBondContact O-CE 3.41Å; K209-S211 VanDerWaalsContact C-N 3.31Å; K209-S211 PolarHBondContact O-N 3.42Å; K209-L212 PolarHBondContact O-N 2.73Å; K209-E213 WeakPolarHBondContact CE-OE1 3.31Å; K209-E213 IonicContact NZ-OE1 3.9Å; K209-E213 WeakPolarHBondContact O-CG 3.5Å; K209-E213 PolarHBondContact O-N 3.39Å |
| 210 | E | 86.5 | Confident | 87.3 | Confident | 109 Ų | 109 | 40.5 Ų | 40.5 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.1 | -36.7 | 179 | -56.2 | 90 | 179.7 | 0 | 0 | 112.4 | S208 E213 Q214 | S208-E210 WeakPolarHBondContact CB-OE2 3.34Å; S208-E210 PolarHBondContact O-N 2.84Å; S208-E210 PolarHBondContact OG-N 2.87Å; S208-E210 PolarHBondContact OG-OE2 3.04Å; E210-E213 PolarHBondContact O-N 3.22Å; E210-Q214 WeakPolarHBondContact O-CB 3.28Å; E210-Q214 PolarHBondContact O-N 2.8Å |
| 211 | S | 89.3 | Confident | 87 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 24% | 0.238 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | S208 K209 Q214 M215 | S208-S211 WeakPolarHBondContact O-CB 3.24Å; S208-S211 PolarHBondContact O-N 3.29Å; S208-S211 VanDerWaalsContact O-N 3.1Å; S208-S211 PolarHBondContact OG-N 2.94Å; K209-S211 VanDerWaalsContact C-N 3.31Å; K209-S211 PolarHBondContact O-N 3.42Å; S211-Q214 PolarHBondContact O-N 3.45Å; S211-M215 WeakPolarHBondContact O-CG 3.16Å; S211-M215 PolarHBondContact O-N 3.22Å |
| 212 | L | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 174.8 | -62 | -176.4 | 0 | 0 | 0 | 111.9 | I200 H207 S208 K209 Q214 M215 V216 A257 L260 | I200-L212 HydrophobicContact CD1-CB 4.13Å; I200-L212 HydrophobicContact CG1-CB 4.2Å; I200-L212 HydrophobicContact CG2-CB 3.83Å; I200-L212 HydrophobicContact CG2-CD1 3.84Å; I200-L212 HydrophobicContact CG2-CG 4.46Å; H207-L212 HydrophobicContact CB-CD2 3.77Å; H207-L212 HydrophobicContact CB-CG 4.23Å; S208-L212 PolarHBondContact O-N 3.45Å; S208-L212 VanDerWaalsContact O-N 3.11Å; K209-L212 PolarHBondContact O-N 2.73Å; L212-Q214 VanDerWaalsContact C-N 3.33Å; L212-Q214 PolarHBondContact O-N 3.16Å; L212-M215 HydrophobicContact CB-CE 4.4Å; L212-M215 HydrophobicContact CD2-CE 3.21Å; L212-M215 HydrophobicContact CG-CE 4.28Å; L212-M215 PolarHBondContact O-N 3.04Å; L212-V216 PolarHBondContact O-N 2.91Å; L212-V216 VanDerWaalsContact O-N 3.13Å; L212-A257 HydrophobicContact CD1-CB 4.16Å; L212-A257 HydrophobicContact CD2-CB 4.36Å; L212-L260 HydrophobicContact CB-CD2 4.36Å; L212-L260 HydrophobicContact CD2-CD2 4.42Å |
| 213 | E | 90.2 | Very high | 86.9 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 175.8 | -68.8 | -177.9 | 170.2 | 0 | 0 | 111.4 | L183 I200 K209 E210 M215 V216 V217 V223 Q225 | L183-E213 HydrophobicContact CD1-CB 4.33Å; L183-E213 HydrophobicContact CD2-CB 4.47Å; I200-E213 HydrophobicContact CB-CG 3.92Å; I200-E213 HydrophobicContact CG1-CB 4.45Å; I200-E213 HydrophobicContact CG1-CG 3.64Å; K209-E213 WeakPolarHBondContact CE-OE1 3.31Å; K209-E213 IonicContact NZ-OE1 3.9Å; K209-E213 WeakPolarHBondContact O-CG 3.5Å; K209-E213 PolarHBondContact O-N 3.39Å; E210-E213 PolarHBondContact O-N 3.22Å; E213-M215 VanDerWaalsContact C-N 3.34Å; E213-M215 PolarHBondContact O-N 2.97Å; E213-V216 PolarHBondContact O-N 3.34Å; E213-V217 WeakPolarHBondContact O-CG2 3.22Å; E213-V217 PolarHBondContact O-N 3.32Å; E213-V217 VanDerWaalsContact O-N 3.17Å; E213-V223 HydrophobicContact CB-CG1 4.02Å; E213-V223 HydrophobicContact CB-CG2 4.2Å; E213-V223 HydrophobicContact CG-CG1 3.63Å; E213-V223 WeakPolarHBondContact O-CG2 3.41Å; E213-Q225 PolarHBondContact OE1-NE2 3.02Å |
| 214 | Q | 87.4 | Confident | 86.9 | Confident | 78 Ų | 78 | 40.2 Ų | 40.2 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 174.5 | 168 | 164.8 | 10.3 | 0 | 0 | 111.8 | L183 I186 E210 S211 L212 V216 V217 E218 | L183-Q214 HydrophobicContact CD2-CB 4.45Å; I186-Q214 HydrophobicContact CD1-CB 4.03Å; I186-Q214 HydrophobicContact CD1-CG 3.64Å; I186-Q214 HydrophobicContact CG1-CG 4.44Å; E210-Q214 WeakPolarHBondContact O-CB 3.28Å; E210-Q214 PolarHBondContact O-N 2.8Å; S211-Q214 PolarHBondContact O-N 3.45Å; L212-Q214 VanDerWaalsContact C-N 3.33Å; L212-Q214 PolarHBondContact O-N 3.16Å; Q214-V216 VanDerWaalsContact C-N 3.32Å; Q214-V216 PolarHBondContact O-N 2.95Å; Q214-V217 PolarHBondContact O-N 2.85Å; Q214-V217 VanDerWaalsContact O-N 3.17Å; Q214-E218 HydrophobicContact CG-CG 4.3Å; Q214-E218 VanDerWaalsContact CG-OE1 3.28Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.48Å; Q214-E218 PolarHBondContact NE2-OE1 3.24Å; Q214-E218 WeakPolarHBondContact O-CG 3.45Å; Q214-E218 PolarHBondContact O-N 3.32Å |
| 215 | M | 87.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 177.6 | -70.9 | -171.4 | -66.8 | 0 | 0 | 112.9 | S211 L212 E213 E218 L219 L261 R264 | S211-M215 WeakPolarHBondContact O-CG 3.16Å; S211-M215 PolarHBondContact O-N 3.22Å; L212-M215 HydrophobicContact CB-CE 4.4Å; L212-M215 HydrophobicContact CD2-CE 3.21Å; L212-M215 HydrophobicContact CG-CE 4.28Å; L212-M215 PolarHBondContact O-N 3.04Å; E213-M215 VanDerWaalsContact C-N 3.34Å; E213-M215 PolarHBondContact O-N 2.97Å; M215-E218 PolarHBondContact O-N 3.43Å; M215-L219 WeakPolarHBondContact O-CB 3.29Å; M215-L219 VanDerWaalsContact O-CG 3.3Å; M215-L219 WeakPolarHBondContact O-CG 3.28Å; M215-L219 PolarHBondContact O-N 3.47Å; M215-L261 HydrophobicContact CE-CD2 3.68Å; M215-L261 HydrophobicContact SD-CD2 3.77Å; M215-R264 WeakPolarHBondContact SD-CD 3.28Å |
| 216 | V | 88.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 174 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | V198 I200 L212 E213 Q214 L219 G220 G221 V223 L260 | V198-V216 HydrophobicContact CB-CG1 3.94Å; V198-V216 HydrophobicContact CB-CG2 4.19Å; V198-V216 HydrophobicContact CG1-CG2 4.04Å; V198-V216 HydrophobicContact CG2-CG1 4.14Å; I200-V216 HydrophobicContact CD1-CG2 3.94Å; L212-V216 PolarHBondContact O-N 2.91Å; L212-V216 VanDerWaalsContact O-N 3.13Å; E213-V216 PolarHBondContact O-N 3.34Å; Q214-V216 VanDerWaalsContact C-N 3.32Å; Q214-V216 PolarHBondContact O-N 2.95Å; V216-L219 CarbonylContact O-C 3.6Å; V216-L219 PolarHBondContact O-N 2.83Å; V216-G220 PolarHBondContact O-N 2.82Å; V216-G221 PolarHBondContact O-N 2.97Å; V216-V223 HydrophobicContact CB-CG2 3.74Å; V216-V223 HydrophobicContact CG1-CG2 3.67Å; V216-L260 HydrophobicContact CG2-CD1 4.03Å; V216-L260 HydrophobicContact CG2-CD2 3.82Å |
| 217 | V | 87.3 | Confident | 86.1 | Confident | 27 Ų | 27 | 34.5 Ų | 34.5 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | 178 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | L183 I186 E213 Q214 L219 G220 V223 | L183-V217 HydrophobicContact CB-CG2 4.34Å; L183-V217 HydrophobicContact CD1-CG2 4.01Å; L183-V217 HydrophobicContact CD2-CG2 4.06Å; L183-V217 HydrophobicContact CG-CG2 4.36Å; I186-V217 HydrophobicContact CB-CG1 4.24Å; I186-V217 HydrophobicContact CG2-CG1 4.23Å; E213-V217 WeakPolarHBondContact O-CG2 3.22Å; E213-V217 PolarHBondContact O-N 3.32Å; E213-V217 VanDerWaalsContact O-N 3.17Å; Q214-V217 PolarHBondContact O-N 2.85Å; Q214-V217 VanDerWaalsContact O-N 3.17Å; V217-L219 PolarHBondContact O-N 3.34Å; V217-G220 PolarHBondContact O-N 3.29Å; V217-V223 HydrophobicContact CG2-CG2 3.86Å |
| 218 | E | 86.7 | Confident | 85.6 | Confident | 22 Ų | 22 | 37 Ų | 37 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -35.6 | 173.6 | -75.6 | 174.9 | -168.6 | 0 | 0 | 111.8 | I186 S188 L189 V190 Q214 M215 G220 R264 | I186-E218 HydrophobicContact CG2-CG 3.72Å; S188-E218 CarbonylContact C-O 3.57Å; L189-E218 HydrophobicContact CD1-CB 4.43Å; L189-E218 HydrophobicContact CD1-CG 4.5Å; L189-E218 PolarHBondContact N-O 3.43Å; V190-E218 PolarHBondContact N-O 3Å; Q214-E218 HydrophobicContact CG-CG 4.3Å; Q214-E218 VanDerWaalsContact CG-OE1 3.28Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.48Å; Q214-E218 PolarHBondContact NE2-OE1 3.24Å; Q214-E218 WeakPolarHBondContact O-CG 3.45Å; Q214-E218 PolarHBondContact O-N 3.32Å; M215-E218 PolarHBondContact O-N 3.43Å; E218-G220 VanDerWaalsContact C-N 3.28Å; E218-G220 PolarHBondContact O-N 2.86Å; E218-R264 IonicContact OE1-NH2 2.85Å; E218-R264 IonicContact OE2-CZ 3.55Å; E218-R264 IonicContact OE2-NE 3.22Å; E218-R264 PolarHBondContact OE2-NE 2.98Å; E218-R264 IonicContact OE2-NH2 3.62Å; E218-R264 PolarHBondContact OE2-NH2 2.79Å |
| 219 | L | 86.4 | Confident | 84.9 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 9.3 | 176.6 | -65.3 | 167.9 | 0 | 0 | 0 | 113.8 | V190 V192 F193 M215 V216 V217 L260 C263 R264 | V190-L219 CarbonylContact O-C 3.44Å; V190-L219 WeakPolarHBondContact O-CA 3.46Å; V192-L219 HydrophobicContact CG2-CD2 4.36Å; V192-L219 PolarHBondContact N-O 3.04Å; F193-L219 HydrophobicContact CD2-CB 3.67Å; F193-L219 HydrophobicContact CD2-CD1 4.34Å; F193-L219 HydrophobicContact CE2-CB 4.11Å; F193-L219 HydrophobicContact CE2-CD1 3.9Å; F193-L219 PolarHBondContact N-O 3.39Å; M215-L219 WeakPolarHBondContact O-CB 3.29Å; M215-L219 VanDerWaalsContact O-CG 3.3Å; M215-L219 WeakPolarHBondContact O-CG 3.28Å; M215-L219 PolarHBondContact O-N 3.47Å; V216-L219 CarbonylContact O-C 3.6Å; V216-L219 PolarHBondContact O-N 2.83Å; V217-L219 PolarHBondContact O-N 3.34Å; L219-L260 HydrophobicContact CD1-CD1 3.94Å; L219-C263 HydrophobicContact CD1-CB 4.29Å; L219-R264 HydrophobicContact CD1-CB 4.27Å |
| 220 | G | 83.3 | Confident | 84.4 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 14.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V190 V216 V217 E218 | V190-G220 PolarHBondContact O-N 3.21Å; V216-G220 PolarHBondContact O-N 2.82Å; V217-G220 PolarHBondContact O-N 3.29Å; E218-G220 VanDerWaalsContact C-N 3.28Å; E218-G220 PolarHBondContact O-N 2.86Å |
| 221 | G | 85.3 | Confident | 84.3 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 8% | 0.082 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -91.3 | 157 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F193 V216 | F193-G221 VanDerWaalsContact CB-CA 3.45Å; V216-G221 PolarHBondContact O-N 2.97Å |
| 222 | A | 85.2 | Confident | 84.1 | Confident | 51 Ų | 51 | 36 Ų | 36 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R196 Q197 V198 | R196-A222 PolarHBondContact O-N 2.81Å; Q197-A222 CarbonylContact C-O 3.51Å; Q197-A222 VanDerWaalsContact CA-O 3.28Å; Q197-A222 WeakPolarHBondContact CA-O 3.46Å; Q197-A222 HydrophobicContact CG-CB 4.02Å; V198-A222 PolarHBondContact N-O 3.1Å |
| 223 | V | 86.2 | Confident | 84 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.2 | 179.7 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | L183 V198 E213 V216 V217 | L183-V223 HydrophobicContact CD1-CB 4.18Å; L183-V223 HydrophobicContact CD1-CG1 4.46Å; L183-V223 HydrophobicContact CD1-CG2 4.31Å; V198-V223 WeakPolarHBondContact O-CA 3.39Å; E213-V223 HydrophobicContact CB-CG1 4.02Å; E213-V223 HydrophobicContact CB-CG2 4.2Å; E213-V223 HydrophobicContact CG-CG1 3.63Å; E213-V223 WeakPolarHBondContact O-CG2 3.41Å; V216-V223 HydrophobicContact CB-CG2 3.74Å; V216-V223 HydrophobicContact CG1-CG2 3.67Å; V217-V223 HydrophobicContact CG2-CG2 3.86Å |
| 224 | V | 86.2 | Confident | 84.1 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.8 | 176.5 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | Q177 Q197 V198 C199 N226 I231 | Q177-V224 HydrophobicContact CB-CG1 4.44Å; Q177-V224 HydrophobicContact CG-CG1 4.38Å; Q197-V224 HydrophobicContact CB-CG2 3.8Å; Q197-V224 HydrophobicContact CG-CG2 3.93Å; V198-V224 PolarHBondContact O-N 2.76Å; C199-V224 WeakPolarHBondContact CA-O 3.34Å; C199-V224 PolarHBondContact SG-O 3.21Å; V224-N226 VanDerWaalsContact CG1-O 3.22Å; V224-N226 WeakPolarHBondContact CG1-O 3.42Å; V224-I231 HydrophobicContact CB-CD1 4.44Å; V224-I231 HydrophobicContact CG1-CD1 4.26Å |
| 225 | Q | 82 | Confident | 84.3 | Confident | 64 Ų | 64 | 31.8 Ų | 31.8 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -77.9 | -29.9 | -178.6 | -71.7 | -60.6 | -37.2 | 0 | 0 | 114 | S180 E213 | S180-Q225 PolarHBondContact OG-NE2 3.21Å; E213-Q225 PolarHBondContact OE1-NE2 3.02Å |
| 226 | N | 80.1 | Confident | 84.4 | Confident | 79 Ų | 79 | 31.8 Ų | 31.8 | 42% | 0.422 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -116 | 132.4 | -177.7 | -70.2 | -28.8 | 0 | 0 | 0 | 110.4 | V224 V228 I231 | V224-N226 VanDerWaalsContact CG1-O 3.22Å; V224-N226 WeakPolarHBondContact CG1-O 3.42Å; N226-V228 HydrophobicContact CB-CG2 4.3Å; N226-V228 PolarHBondContact O-N 2.79Å; N226-I231 WeakPolarHBondContact O-CD1 3.44Å |
| 227 | P | 77.2 | Confident | 84.4 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | trans | -75 | 66.1 | 177 | 32 | -35 | 0 | 0 | 0 | 110.8 | L201 I231 V246 M252 | L201-P227 HydrophobicContact CD2-CB 4.49Å; L201-P227 HydrophobicContact CD2-CG 4.17Å; P227-I231 VanDerWaalsContact CA-CD1 3.49Å; P227-V246 HydrophobicContact CB-CG2 4.17Å; P227-V246 HydrophobicContact CG-CG2 3.68Å; P227-M252 HydrophobicContact CB-CE 3.62Å; P227-M252 HydrophobicContact CB-SD 3.52Å; P227-M252 VanDerWaalsContact CB-SD 3.52Å; P227-M252 WeakPolarHBondContact O-CE 3.45Å | ||
| 228 | V | 76.5 | Confident | 84.4 | Confident | 99 Ų | 99 | 36.5 Ų | 36.5 | 60% | 0.6 | 24% | 0.235 | S | C | * | . | trans | -134.9 | 129.1 | 179.7 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | Q177 N226 I231 | Q177-V228 PolarHBondContact NE2-O 2.97Å; N226-V228 HydrophobicContact CB-CG2 4.3Å; N226-V228 PolarHBondContact O-N 2.79Å; V228-I231 VanDerWaalsContact N-CD1 3.34Å | ||
| 229 | G | 73.9 | Confident | 84.3 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 63% | 0.629 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 101.4 | -158.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I231 | G229-I231 PolarHBondContact O-N 3.05Š|
| 230 | S | 77 | Confident | 84.4 | Confident | 118 Ų | 118 | 41.3 Ų | 41.3 | 83% | 0.825 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -80.9 | 63 | -174.4 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 231 | I | 84.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 44 Ų | 44 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | trans | -88.1 | 138.1 | 179.2 | -58.8 | 170.9 | 0 | 0 | 0 | 108.8 | Q197 C199 V224 N226 P227 V228 G229 C233 | Q197-I231 HydrophobicContact CB-CG1 4.5Å; Q197-I231 VanDerWaalsContact O-CG2 3.24Å; Q197-I231 WeakPolarHBondContact O-CG2 3.25Å; C199-I231 HydrophobicContact CB-CD1 4.34Å; C199-I231 HydrophobicContact CB-CG2 4.19Å; V224-I231 HydrophobicContact CB-CD1 4.44Å; V224-I231 HydrophobicContact CG1-CD1 4.26Å; N226-I231 WeakPolarHBondContact O-CD1 3.44Å; P227-I231 VanDerWaalsContact CA-CD1 3.49Å; V228-I231 VanDerWaalsContact N-CD1 3.34Å; G229-I231 PolarHBondContact O-N 3.05Å; I231-C233 WeakPolarHBondContact CG2-O 3.28Å | ||
| 232 | F | 84.4 | Confident | 84.3 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 22% | 0.219 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -69.3 | -51.1 | 178.6 | 174.5 | -114.6 | 0 | 0 | 0 | 111.7 | F193 R196 Q197 W259 W272 | F193-F232 HydrophobicContact CE1-CD1 4.31Å; F193-F232 HydrophobicContact CE1-CE1 4.23Å; R196-F232 HydrophobicContact CB-CB 3.91Å; R196-F232 HydrophobicContact CB-CD1 4.35Å; R196-F232 HydrophobicContact CB-CG 4.14Å; R196-F232 HydrophobicContact CG-CB 4.34Å; R196-F232 HydrophobicContact CG-CG 4.23Å; Q197-F232 WeakPolarHBondContact O-CB 3.4Å; Q197-F232 PolarHBondContact O-N 2.63Å; F232-W259 HydrophobicContact CE1-CH2 4.08Å; F232-W272 HydrophobicContact CD1-CZ2 4.33Å; F232-W272 HydrophobicContact CD2-CH2 4.47Å; F232-W272 HydrophobicContact CE1-CH2 4.28Å; F232-W272 AromaticContact CE1-CZ2 3.56Å; F232-W272 HydrophobicContact CE1-CZ2 3.56Å; F232-W272 AromaticContact CE2-CH2 3.77Å; F232-W272 HydrophobicContact CE2-CH2 3.77Å; F232-W272 AromaticContact CE2-CZ2 3.88Å; F232-W272 HydrophobicContact CE2-CZ2 3.88Å; F232-W272 AromaticContact CZ-CH2 3.67Å; F232-W272 HydrophobicContact CZ-CH2 3.67Å; F232-W272 AromaticContact CZ-CZ2 3.28Å; F232-W272 HydrophobicContact CZ-CZ2 3.28Å |
| 233 | C | 88.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 157.9 | 173.5 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | V198 C199 I231 D253 W272 | V198-C233 WeakPolarHBondContact CA-O 3.41Å; C199-C233 PolarHBondContact N-O 3.13Å; I231-C233 WeakPolarHBondContact CG2-O 3.28Å; C233-D253 WeakPolarHBondContact CA-O 3.34Å; C233-D253 HydrophobicContact CB-CB 4.47Å; C233-W272 HydrophobicContact CB-CH2 4.32Å; C233-W272 HydrophobicContact CB-CZ2 3.8Å |
| 234 | A | 90.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | C199 L201 M252 D253 V254 A255 | C199-A234 HydrophobicContact CB-CB 4.49Å; C199-A234 CarbonylContact O-C 2.87Å; C199-A234 VanDerWaalsContact O-CA 3.25Å; C199-A234 WeakPolarHBondContact O-CA 3.43Å; L201-A234 HydrophobicContact CD1-CB 3.94Å; L201-A234 HydrophobicContact CG-CB 4.18Å; A234-M252 HydrophobicContact CB-SD 4.1Å; A234-D253 PolarHBondContact N-O 3.24Å; A234-V254 HydrophobicContact CB-CG2 4.45Å; A234-V254 CarbonylContact O-C 3.47Å; A234-V254 VanDerWaalsContact O-CA 3.29Å; A234-V254 WeakPolarHBondContact O-CA 3.36Å; A234-A255 PolarHBondContact O-N 3.17Å |
| 235 | V | 91.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133.8 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | V198 C199 I200 L201 A255 A257 W259 L260 | V198-V235 HydrophobicContact CG1-CG2 3.68Å; C199-V235 PolarHBondContact O-N 3.45Å; I200-V235 HydrophobicContact CD1-CB 3.74Å; I200-V235 HydrophobicContact CD1-CG1 4.37Å; I200-V235 HydrophobicContact CD1-CG2 4.21Å; L201-V235 PolarHBondContact N-O 3.23Å; V235-A255 WeakPolarHBondContact CA-O 3.45Å; V235-A257 HydrophobicContact CG1-CB 4.17Å; V235-W259 HydrophobicContact CG2-CZ3 4.45Å; V235-L260 HydrophobicContact CG1-CB 4.41Å; V235-L260 HydrophobicContact CG1-CD2 4.39Å |
| 236 | C | 90.5 | Very high | 84.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.5 | 175.4 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | L201 V243 A255 K256 A257 I278 | L201-C236 HydrophobicContact CB-CB 4.38Å; C236-V243 HydrophobicContact CB-CG1 4.27Å; C236-V243 HydrophobicContact CB-CG2 3.74Å; C236-A255 PolarHBondContact N-O 3.17Å; C236-K256 WeakPolarHBondContact O-CA 3.46Å; C236-A257 PolarHBondContact O-N 2.86Å; C236-I278 WeakPolarHBondContact SG-CD1 3.06Å |
| 237 | G | 88.1 | Confident | 85 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -85.4 | -37.9 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | N202 T204 | N202-G237 PolarHBondContact O-N 3.25Å; N202-G237 VanDerWaalsContact O-N 3.14Å; T204-G237 VanDerWaalsContact CG2-CA 3.47Å |
| 238 | K | 86.6 | Confident | 85.4 | Confident | 95 Ų | 95 | 53 Ų | 53 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -131.3 | 138.5 | -179.4 | -64.7 | -173.8 | 178 | -172 | 0 | 112 | N202 D205 T240 | N202-K238 PolarHBondContact ND2-O 3.28Å; N202-K238 VanDerWaalsContact ND2-O 3.16Å; D205-K238 VanDerWaalsContact CG-CE 3.44Å; D205-K238 VanDerWaalsContact OD1-CE 3.29Å; D205-K238 WeakPolarHBondContact OD1-CE 2.9Å; D205-K238 IonicContact OD1-NZ 3.86Å; D205-K238 PolarHBondContact OD1-NZ 2.81Å; D205-K238 WeakPolarHBondContact OD2-CE 3.37Å; D205-K238 IonicContact OD2-NZ 3.07Å; D205-K238 PolarHBondContact OD2-NZ 2.98Å; K238-T240 PolarHBondContact O-N 3.25Å |
| 239 | V | 85.7 | Confident | 85.8 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | trans | -71.8 | 98.8 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | Q244 I278 | V239-Q244 HydrophobicContact CG1-CG 4.02Å; V239-I278 HydrophobicContact CG2-CD1 3.94Å | ||
| 240 | T | 87.5 | Confident | 86.1 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | trans | -109.6 | -179.4 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | R18 N202 K238 K242 V243 Q244 | R18-T240 VanDerWaalsContact NH2-C 3.25Å; R18-T240 PolarHBondContact NH2-O 3.02Å; N202-T240 WeakPolarHBondContact ND2-CB 3.24Å; N202-T240 WeakPolarHBondContact ND2-CG2 3.42Å; N202-T240 PolarHBondContact ND2-OG1 3.04Å; K238-T240 PolarHBondContact O-N 3.25Å; T240-K242 PolarHBondContact O-N 2.93Å; T240-V243 PolarHBondContact O-N 3.01Å; T240-Q244 PolarHBondContact O-N 3.29Å | ||
| 241 | V | 85.2 | Confident | 86.4 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.1 | -42.6 | 176.5 | -179 | 0 | 0 | 0 | 0 | 111.8 | R18 Q244 A245 | R18-V241 HydrophobicContact CG-CG1 3.9Å; R18-V241 VanDerWaalsContact NE-CA 3.34Å; V241-Q244 PolarHBondContact O-N 3.45Å; V241-A245 PolarHBondContact O-N 2.81Å |
| 242 | K | 82.8 | Confident | 86.4 | Confident | 148 Ų | 148 | 49.7 Ų | 49.7 | 64% | 0.643 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | -179.6 | -65.8 | -175.5 | 178 | -179 | 0 | 111.4 | T240 A245 V246 | T240-K242 PolarHBondContact O-N 2.93Å; K242-A245 WeakPolarHBondContact O-CB 3.32Å; K242-A245 PolarHBondContact O-N 2.79Å; K242-V246 WeakPolarHBondContact O-CG2 3.2Å; K242-V246 PolarHBondContact O-N 2.91Å |
| 243 | V | 87.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | L201 C236 T240 A245 V246 I247 V254 | L201-V243 HydrophobicContact CB-CG2 4.11Å; L201-V243 HydrophobicContact CD1-CB 4.39Å; L201-V243 HydrophobicContact CD1-CG1 4.47Å; L201-V243 HydrophobicContact CD1-CG2 3.93Å; C236-V243 HydrophobicContact CB-CG1 4.27Å; C236-V243 HydrophobicContact CB-CG2 3.74Å; T240-V243 PolarHBondContact O-N 3.01Å; V243-A245 VanDerWaalsContact C-N 3.32Å; V243-A245 PolarHBondContact O-N 2.77Å; V243-V246 PolarHBondContact O-N 3.16Å; V243-V246 VanDerWaalsContact O-N 3.16Å; V243-I247 HydrophobicContact CG1-CD1 3.91Å; V243-I247 HydrophobicContact CG1-CG1 4.45Å; V243-I247 VanDerWaalsContact O-CG1 3.28Å; V243-I247 WeakPolarHBondContact O-CG1 3.36Å; V243-I247 PolarHBondContact O-N 3.01Å; V243-V254 HydrophobicContact CG1-CG1 4.04Å |
| 244 | Q | 87.5 | Confident | 86.9 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 175.9 | -74.9 | -178 | -13.1 | 0 | 0 | 112.7 | R18 V239 T240 V241 V246 I247 S248 | R18-Q244 VanDerWaalsContact NH2-CD 3.3Å; V239-Q244 HydrophobicContact CG1-CG 4.02Å; T240-Q244 PolarHBondContact O-N 3.29Å; V241-Q244 PolarHBondContact O-N 3.45Å; Q244-V246 VanDerWaalsContact C-N 3.32Å; Q244-V246 PolarHBondContact O-N 3.04Å; Q244-I247 PolarHBondContact O-N 3Å; Q244-S248 WeakPolarHBondContact O-CB 3.47Å; Q244-S248 PolarHBondContact O-N 2.74Å; Q244-S248 PolarHBondContact O-OG 3.02Å |
| 245 | A | 84.6 | Confident | 87 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V241 K242 V243 S248 N249 | V241-A245 PolarHBondContact O-N 2.81Å; K242-A245 WeakPolarHBondContact O-CB 3.32Å; K242-A245 PolarHBondContact O-N 2.79Å; V243-A245 VanDerWaalsContact C-N 3.32Å; V243-A245 PolarHBondContact O-N 2.77Å; A245-S248 PolarHBondContact O-N 3.14Å; A245-N249 PolarHBondContact O-N 3.11Å |
| 246 | V | 85.8 | Confident | 87 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 111 | L201 P227 K242 V243 Q244 S248 N249 G250 M252 V254 | L201-V246 HydrophobicContact CD1-CB 4.37Å; L201-V246 HydrophobicContact CD1-CG2 4.1Å; L201-V246 HydrophobicContact CD2-CG2 4.21Å; P227-V246 HydrophobicContact CB-CG2 4.17Å; P227-V246 HydrophobicContact CG-CG2 3.68Å; K242-V246 WeakPolarHBondContact O-CG2 3.2Å; K242-V246 PolarHBondContact O-N 2.91Å; V243-V246 PolarHBondContact O-N 3.16Å; V243-V246 VanDerWaalsContact O-N 3.16Å; Q244-V246 VanDerWaalsContact C-N 3.32Å; Q244-V246 PolarHBondContact O-N 3.04Å; V246-S248 PolarHBondContact O-N 2.94Å; V246-N249 WeakPolarHBondContact O-CB 3.1Å; V246-N249 PolarHBondContact O-N 3.3Å; V246-N249 VanDerWaalsContact O-N 3.17Å; V246-G250 PolarHBondContact O-N 2.88Å; V246-M252 HydrophobicContact CG1-CG 3.79Å; V246-M252 HydrophobicContact CG1-SD 3.7Å; V246-V254 HydrophobicContact CG1-CG2 4.09Å |
| 247 | I | 88.7 | Confident | 87.1 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.8 | -67.3 | 170.2 | 0 | 0 | 0 | 110.6 | V243 Q244 N249 G250 V254 I278 F279 | V243-I247 HydrophobicContact CG1-CD1 3.91Å; V243-I247 HydrophobicContact CG1-CG1 4.45Å; V243-I247 VanDerWaalsContact O-CG1 3.28Å; V243-I247 WeakPolarHBondContact O-CG1 3.36Å; V243-I247 PolarHBondContact O-N 3.01Å; Q244-I247 PolarHBondContact O-N 3Å; I247-N249 PolarHBondContact O-N 2.96Å; I247-G250 PolarHBondContact O-N 3.26Å; I247-V254 HydrophobicContact CG1-CG2 4.03Å; I247-I278 HydrophobicContact CD1-CG2 3.91Å; I247-F279 HydrophobicContact CB-CB 4.44Å; I247-F279 HydrophobicContact CB-CG 4.4Å; I247-F279 HydrophobicContact CD1-CB 4.25Å; I247-F279 HydrophobicContact CG1-CB 3.77Å; I247-F279 HydrophobicContact CG1-CG 4.21Å; I247-F279 HydrophobicContact CG2-CB 4.11Å; I247-F279 HydrophobicContact CG2-CD2 3.69Å; I247-F279 HydrophobicContact CG2-CE2 4.28Å; I247-F279 HydrophobicContact CG2-CG 3.89Å |
| 248 | S | 85.8 | Confident | 87.1 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 74% | 0.741 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63 | -25.5 | 177.8 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | Q244 A245 V246 G250 | Q244-S248 WeakPolarHBondContact O-CB 3.47Å; Q244-S248 PolarHBondContact O-N 2.74Å; Q244-S248 PolarHBondContact O-OG 3.02Å; A245-S248 PolarHBondContact O-N 3.14Å; V246-S248 PolarHBondContact O-N 2.94Å; S248-G250 VanDerWaalsContact C-N 3.29Å |
| 249 | N | 83.6 | Confident | 87.4 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 57% | 0.572 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15 | 174.8 | -164.6 | 39.1 | 0 | 0 | 0 | 112.9 | A245 V246 I247 S251 | A245-N249 PolarHBondContact O-N 3.11Å; V246-N249 WeakPolarHBondContact O-CB 3.1Å; V246-N249 PolarHBondContact O-N 3.3Å; V246-N249 VanDerWaalsContact O-N 3.17Å; I247-N249 PolarHBondContact O-N 2.96Å; N249-S251 PolarHBondContact O-N 3.47Å; N249-S251 PolarHBondContact O-OG 3.02Å |
| 250 | G | 81 | Confident | 87.6 | Confident | 34 Ų | 34 | 46 Ų | 46 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | trans | 62.7 | 6.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | V246 I247 S248 | V246-G250 PolarHBondContact O-N 2.88Å; I247-G250 PolarHBondContact O-N 3.26Å; S248-G250 VanDerWaalsContact C-N 3.29Å | ||
| 251 | S | 83 | Confident | 87.8 | Confident | 70 Ų | 70 | 45.4 Ų | 45.4 | 49% | 0.49 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -93.2 | -13.2 | -165.4 | -61.6 | 0 | 0 | 0 | 0 | 115 | N249 | N249-S251 PolarHBondContact O-N 3.47Å; N249-S251 PolarHBondContact O-OG 3.02Å |
| 252 | M | 85.3 | Confident | 87.9 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -148.3 | 157.8 | -174.3 | 63 | -172.9 | 71 | 0 | 0 | 112.6 | P227 A234 V246 F279 | P227-M252 HydrophobicContact CB-CE 3.62Å; P227-M252 HydrophobicContact CB-SD 3.52Å; P227-M252 VanDerWaalsContact CB-SD 3.52Å; P227-M252 WeakPolarHBondContact O-CE 3.45Å; A234-M252 HydrophobicContact CB-SD 4.1Å; V246-M252 HydrophobicContact CG1-CG 3.79Å; V246-M252 HydrophobicContact CG1-SD 3.7Å; M252-F279 VanDerWaalsContact O-CD1 3.3Å; M252-F279 WeakPolarHBondContact O-CD1 3.29Å; M252-F279 WeakPolarHBondContact O-CE1 3.38Å |
| 253 | D | 90.9 | Very high | 88.3 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | trans | -76.1 | 136.2 | 175.2 | -61 | -67.5 | 0 | 0 | 0 | 111.6 | C233 A234 W272 A280 K281 T284 | C233-D253 WeakPolarHBondContact CA-O 3.34Å; C233-D253 HydrophobicContact CB-CB 4.47Å; A234-D253 PolarHBondContact N-O 3.24Å; D253-W272 HydrophobicContact CB-CH2 3.82Å; D253-W272 HydrophobicContact CB-CZ2 4.47Å; D253-W272 HydrophobicContact CB-CZ3 4.08Å; D253-A280 VanDerWaalsContact OD1-CA 3.28Å; D253-A280 WeakPolarHBondContact OD1-CA 3.34Å; D253-K281 PolarHBondContact OD1-N 3.41Å; D253-T284 VanDerWaalsContact CG-OG1 3.28Å; D253-T284 WeakPolarHBondContact OD1-CB 3.3Å; D253-T284 WeakPolarHBondContact OD1-CG2 3.49Å; D253-T284 PolarHBondContact OD1-OG1 3.22Å; D253-T284 VanDerWaalsContact OD1-OG1 3.04Å; D253-T284 PolarHBondContact OD2-OG1 3.33Å | ||
| 254 | V | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 108.1 | 178.8 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | A234 V243 V246 I247 I278 F279 | A234-V254 HydrophobicContact CB-CG2 4.45Å; A234-V254 CarbonylContact O-C 3.47Å; A234-V254 VanDerWaalsContact O-CA 3.29Å; A234-V254 WeakPolarHBondContact O-CA 3.36Å; V243-V254 HydrophobicContact CG1-CG1 4.04Å; V246-V254 HydrophobicContact CG1-CG2 4.09Å; I247-V254 HydrophobicContact CG1-CG2 4.03Å; V254-I278 HydrophobicContact CG1-CB 4.37Å; V254-I278 PolarHBondContact O-N 3.33Å; V254-F279 HydrophobicContact CB-CB 4.11Å; V254-F279 HydrophobicContact CG2-CB 4.2Å; V254-F279 HydrophobicContact CG2-CD1 4.41Å; V254-F279 PolarHBondContact N-O 3.09Å; V254-F279 PolarHBondContact O-N 3.48Å |
| 255 | A | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 152.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A234 V235 C236 W259 L277 | A234-A255 PolarHBondContact O-N 3.17Å; V235-A255 WeakPolarHBondContact CA-O 3.45Å; C236-A255 PolarHBondContact N-O 3.17Å; A255-W259 HydrophobicContact CB-CE3 4.08Å; A255-L277 HydrophobicContact CB-CD2 3.96Å |
| 256 | K | 91.8 | Very high | 88.5 | Confident | 74 Ų | 74 | 51 Ų | 51 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 147.6 | 170.2 | -66.6 | 176.8 | -175.5 | 169.8 | 0 | 110.5 | C236 D258 W259 S275 D276 I278 | C236-K256 WeakPolarHBondContact O-CA 3.46Å; K256-D258 PolarHBondContact O-N 3.29Å; K256-W259 PolarHBondContact O-N 3.13Å; K256-W259 VanDerWaalsContact O-N 3.17Å; K256-S275 WeakPolarHBondContact CE-O 3.4Å; K256-S275 PolarHBondContact NZ-O 3.16Å; K256-D276 WeakPolarHBondContact CB-O 3.46Å; K256-D276 WeakPolarHBondContact CG-O 3.42Å; K256-D276 PolarHBondContact N-O 2.96Å; K256-I278 HydrophobicContact CG-CD1 4.03Å; K256-I278 HydrophobicContact CG-CG1 3.67Å |
| 257 | A | 92 | Very high | 88.4 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.8 | -30.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T204 L212 V235 C236 W259 L260 L261 | T204-A257 HydrophobicContact CG2-CB 3.43Å; T204-A257 VanDerWaalsContact CG2-CB 3.43Å; L212-A257 HydrophobicContact CD1-CB 4.16Å; L212-A257 HydrophobicContact CD2-CB 4.36Å; V235-A257 HydrophobicContact CG1-CB 4.17Å; C236-A257 PolarHBondContact O-N 2.86Å; A257-W259 PolarHBondContact O-N 3.4Å; A257-L260 WeakPolarHBondContact O-CB 3.33Å; A257-L260 PolarHBondContact O-N 3.49Å; A257-L261 PolarHBondContact O-N 3.37Å; A257-L261 VanDerWaalsContact O-N 3.09Å |
| 258 | D | 90 | Very high | 88.3 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -33.3 | 177.8 | -55.2 | -30.9 | 0 | 0 | 0 | 112.9 | K256 L261 R262 | K256-D258 PolarHBondContact O-N 3.29Å; D258-L261 PolarHBondContact O-N 2.88Å; D258-R262 WeakPolarHBondContact O-CG 2.96Å; D258-R262 PolarHBondContact O-N 3.03Å |
| 259 | W | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.4 | 168.9 | 81.7 | 0 | 0 | 0 | 111.6 | F193 F232 V235 A255 K256 A257 L261 R262 C263 L269 L270 W272 D276 | F193-W259 AromaticContact CE1-CH2 3.6Å; F193-W259 HydrophobicContact CE1-CH2 3.6Å; F193-W259 HydrophobicContact CE1-CZ3 4.21Å; F193-W259 AromaticContact CZ-CH2 3.46Å; F193-W259 HydrophobicContact CZ-CH2 3.46Å; F193-W259 VanDerWaalsContact CZ-CH2 3.46Å; F193-W259 HydrophobicContact CZ-CZ2 4.14Å; F193-W259 HydrophobicContact CZ-CZ3 4.01Å; F232-W259 HydrophobicContact CE1-CH2 4.08Å; V235-W259 HydrophobicContact CG2-CZ3 4.45Å; A255-W259 HydrophobicContact CB-CE3 4.08Å; K256-W259 PolarHBondContact O-N 3.13Å; K256-W259 VanDerWaalsContact O-N 3.17Å; A257-W259 PolarHBondContact O-N 3.4Å; W259-L261 VanDerWaalsContact C-N 3.32Å; W259-L261 PolarHBondContact O-N 3.47Å; W259-R262 PolarHBondContact O-N 3.25Å; W259-C263 VanDerWaalsContact CE2-SG 3.51Å; W259-C263 PolarHBondContact O-N 3.33Å; W259-C263 PolarHBondContact O-SG 2.82Å; W259-L269 HydrophobicContact CH2-CD1 4.27Å; W259-L269 HydrophobicContact CZ2-CD1 3.93Å; W259-L270 PolarHBondContact NE1-O 3.16Å; W259-W272 AromaticContact CE2-CD1 3.55Å; W259-W272 AromaticContact CE2-NE1 3.45Å; W259-W272 AromaticContact CH2-NE1 3.72Å; W259-W272 AromaticContact CZ2-CD1 3.81Å; W259-W272 AromaticContact CZ2-NE1 3.28Å; W259-W272 VanDerWaalsContact CZ2-NE1 3.28Å; W259-W272 AromaticContact NE1-CD1 3.47Å; W259-W272 AromaticContact NE1-NE1 3.88Å; W259-D276 HydrophobicContact CB-CB 4.06Å; W259-D276 HydrophobicContact CG-CB 4.39Å |
| 260 | L | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 177.2 | -177.8 | 62.9 | 0 | 0 | 0 | 111.2 | F193 I200 L212 V216 L219 V235 A257 C263 R264 | F193-L260 HydrophobicContact CZ-CD1 4.47Å; I200-L260 HydrophobicContact CD1-CD2 4.29Å; L212-L260 HydrophobicContact CB-CD2 4.36Å; L212-L260 HydrophobicContact CD2-CD2 4.42Å; V216-L260 HydrophobicContact CG2-CD1 4.03Å; V216-L260 HydrophobicContact CG2-CD2 3.82Å; L219-L260 HydrophobicContact CD1-CD1 3.94Å; V235-L260 HydrophobicContact CG1-CB 4.41Å; V235-L260 HydrophobicContact CG1-CD2 4.39Å; A257-L260 WeakPolarHBondContact O-CB 3.33Å; A257-L260 PolarHBondContact O-N 3.49Å; L260-C263 PolarHBondContact O-N 2.91Å; L260-R264 PolarHBondContact O-N 3.01Å |
| 261 | L | 90.5 | Very high | 88.6 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 174.5 | -67.5 | 174.1 | 0 | 0 | 0 | 111.6 | M215 A257 D258 W259 C263 R264 E265 | M215-L261 HydrophobicContact CE-CD2 3.68Å; M215-L261 HydrophobicContact SD-CD2 3.77Å; A257-L261 PolarHBondContact O-N 3.37Å; A257-L261 VanDerWaalsContact O-N 3.09Å; D258-L261 PolarHBondContact O-N 2.88Å; W259-L261 VanDerWaalsContact C-N 3.32Å; W259-L261 PolarHBondContact O-N 3.47Å; L261-C263 VanDerWaalsContact C-N 3.32Å; L261-C263 PolarHBondContact O-N 3.44Å; L261-R264 WeakPolarHBondContact O-CB 3.36Å; L261-R264 PolarHBondContact O-N 2.78Å; L261-R264 VanDerWaalsContact O-N 3.1Å; L261-E265 WeakPolarHBondContact O-CG 3.38Å; L261-E265 PolarHBondContact O-N 2.8Å |
| 262 | R | 89 | Confident | 88.8 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -35.2 | 177 | -69.7 | -173.2 | -61.1 | 124.3 | 9.7 | 113 | D258 W259 R264 E265 K266 L270 D276 | D258-R262 WeakPolarHBondContact O-CG 2.96Å; D258-R262 PolarHBondContact O-N 3.03Å; W259-R262 PolarHBondContact O-N 3.25Å; R262-R264 VanDerWaalsContact C-N 3.29Å; R262-R264 PolarHBondContact O-N 3.3Å; R262-E265 PolarHBondContact O-N 3.28Å; R262-K266 PolarHBondContact O-N 3.42Å; R262-L270 HydrophobicContact CB-CD1 3.53Å; R262-D276 IonicContact CZ-OD1 3.3Å; R262-D276 IonicContact CZ-OD2 2.68Å; R262-D276 IonicContact NH2-OD1 3.41Å; R262-D276 PolarHBondContact NH2-OD1 3.4Å; R262-D276 IonicContact NH2-OD2 3.21Å; R262-D276 PolarHBondContact NH2-OD2 3.34Å |
| 263 | C | 89.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 173.7 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | F193 L219 W259 L260 L261 Q267 T268 | F193-C263 HydrophobicContact CE2-CB 4.44Å; L219-C263 HydrophobicContact CD1-CB 4.29Å; W259-C263 VanDerWaalsContact CE2-SG 3.51Å; W259-C263 PolarHBondContact O-N 3.33Å; W259-C263 PolarHBondContact O-SG 2.82Å; L260-C263 PolarHBondContact O-N 2.91Å; L261-C263 VanDerWaalsContact C-N 3.32Å; L261-C263 PolarHBondContact O-N 3.44Å; C263-Q267 WeakPolarHBondContact O-CA 3.36Å; C263-Q267 PolarHBondContact O-N 3.15Å; C263-T268 PolarHBondContact O-N 3.1Å |
| 264 | R | 87.9 | Confident | 88.4 | Confident | 103 Ų | 103 | 55.9 Ų | 55.9 | 39% | 0.389 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.1 | -47.1 | 175.3 | -174.1 | -178.6 | -171.2 | -150.3 | 4.9 | 112 | M215 E218 L219 L260 L261 R262 Q267 | M215-R264 WeakPolarHBondContact SD-CD 3.28Å; E218-R264 IonicContact OE1-NH2 2.85Å; E218-R264 IonicContact OE2-CZ 3.55Å; E218-R264 IonicContact OE2-NE 3.22Å; E218-R264 PolarHBondContact OE2-NE 2.98Å; E218-R264 IonicContact OE2-NH2 3.62Å; E218-R264 PolarHBondContact OE2-NH2 2.79Å; L219-R264 HydrophobicContact CD1-CB 4.27Å; L260-R264 PolarHBondContact O-N 3.01Å; L261-R264 WeakPolarHBondContact O-CB 3.36Å; L261-R264 PolarHBondContact O-N 2.78Å; L261-R264 VanDerWaalsContact O-N 3.1Å; R262-R264 VanDerWaalsContact C-N 3.29Å; R262-R264 PolarHBondContact O-N 3.3Å; R264-Q267 WeakPolarHBondContact O-CG 3.49Å; R264-Q267 PolarHBondContact O-N 3.29Å |
| 265 | E | 88.8 | Confident | 88.1 | Confident | 152 Ų | 152 | 57.4 Ų | 57.4 | 71% | 0.71 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.8 | -46 | -179.9 | -73.1 | 172.9 | 178.9 | 0 | 0 | 112.2 | L261 R262 Q267 | L261-E265 WeakPolarHBondContact O-CG 3.38Å; L261-E265 PolarHBondContact O-N 2.8Å; R262-E265 PolarHBondContact O-N 3.28Å; E265-Q267 VanDerWaalsContact C-N 3.3Å |
| 266 | K | 87.1 | Confident | 87.8 | Confident | 136 Ų | 136 | 57.7 Ų | 57.7 | 59% | 0.591 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -83.4 | -6.4 | 179.7 | -64.5 | -174.7 | 170.6 | -172.8 | 0 | 113.6 | R262 T268 L270 | R262-K266 PolarHBondContact O-N 3.42Å; K266-T268 HydrophobicContact CB-CG2 3.81Å; K266-T268 PolarHBondContact O-N 3.37Å; K266-L270 HydrophobicContact CD-CD1 4.09Å; K266-L270 HydrophobicContact CD-CD2 3.68Å; K266-L270 HydrophobicContact CD-CG 4.45Å |
| 267 | Q | 84.3 | Confident | 87.7 | Confident | 113 Ų | 113 | 54.9 Ų | 54.9 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 32 | -176.6 | -63.4 | -172.4 | -47.3 | 0 | 0 | 113.7 | V190 V192 C263 R264 E265 | V190-Q267 HydrophobicContact CG2-CB 4.21Å; V190-Q267 HydrophobicContact CG2-CG 4.41Å; V192-Q267 WeakPolarHBondContact CG2-O 3.36Å; C263-Q267 WeakPolarHBondContact O-CA 3.36Å; C263-Q267 PolarHBondContact O-N 3.15Å; R264-Q267 WeakPolarHBondContact O-CG 3.49Å; R264-Q267 PolarHBondContact O-N 3.29Å; E265-Q267 VanDerWaalsContact C-N 3.3Å |
| 268 | T | 87.3 | Confident | 87.5 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 44% | 0.442 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -144.8 | 154.6 | -177.8 | -172 | 0 | 0 | 0 | 0 | 110.8 | C263 K266 L270 | C263-T268 PolarHBondContact O-N 3.1Å; K266-T268 HydrophobicContact CB-CG2 3.81Å; K266-T268 PolarHBondContact O-N 3.37Å; T268-L270 HydrophobicContact CG2-CD2 3.87Å; T268-L270 PolarHBondContact O-N 3.45Å; T268-L270 VanDerWaalsContact O-N 3.16Å |
| 269 | L | 84.9 | Confident | 87.5 | Confident | 48 Ų | 48 | 56 Ų | 56 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | trans | -76.9 | 106.3 | 180 | -174.6 | 64.9 | 0 | 0 | 0 | 108.1 | V192 F193 W259 | V192-L269 VanDerWaalsContact CG1-CA 3.5Å; V192-L269 HydrophobicContact CG1-CB 3.5Å; V192-L269 VanDerWaalsContact CG1-CB 3.5Å; V192-L269 HydrophobicContact CG1-CD1 4.39Å; F193-L269 HydrophobicContact CD1-CD1 4.38Å; F193-L269 HydrophobicContact CE1-CD1 3.81Å; F193-L269 HydrophobicContact CE2-CD1 3.95Å; F193-L269 HydrophobicContact CZ-CD1 3.57Å; W259-L269 HydrophobicContact CH2-CD1 4.27Å; W259-L269 HydrophobicContact CZ2-CD1 3.93Å | ||
| 270 | L | 84.7 | Confident | 87.4 | Confident | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 129.6 | 176.8 | -58.7 | 176.8 | 0 | 0 | 0 | 109.8 | W259 R262 K266 T268 | W259-L270 PolarHBondContact NE1-O 3.16Å; R262-L270 HydrophobicContact CB-CD1 3.53Å; K266-L270 HydrophobicContact CD-CD1 4.09Å; K266-L270 HydrophobicContact CD-CD2 3.68Å; K266-L270 HydrophobicContact CD-CG 4.45Å; T268-L270 HydrophobicContact CG2-CD2 3.87Å; T268-L270 PolarHBondContact O-N 3.45Å; T268-L270 VanDerWaalsContact O-N 3.16Å |
| 271 | H | 85.8 | Confident | 87.3 | Confident | 132 Ų | 132 | 61.2 Ų | 61.2 | 61% | 0.611 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 142.8 | 166.6 | -69.4 | -81.3 | 0 | 0 | 0 | 110 | ||
| 272 | W | 87.4 | Confident | 87.1 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 13% | 0.125 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 135.1 | 178 | -64.7 | -33.5 | 0 | 0 | 0 | 111 | F232 C233 D253 W259 L277 T284 L288 | F232-W272 HydrophobicContact CD1-CZ2 4.33Å; F232-W272 HydrophobicContact CD2-CH2 4.47Å; F232-W272 HydrophobicContact CE1-CH2 4.28Å; F232-W272 AromaticContact CE1-CZ2 3.56Å; F232-W272 HydrophobicContact CE1-CZ2 3.56Å; F232-W272 AromaticContact CE2-CH2 3.77Å; F232-W272 HydrophobicContact CE2-CH2 3.77Å; F232-W272 AromaticContact CE2-CZ2 3.88Å; F232-W272 HydrophobicContact CE2-CZ2 3.88Å; F232-W272 AromaticContact CZ-CH2 3.67Å; F232-W272 HydrophobicContact CZ-CH2 3.67Å; F232-W272 AromaticContact CZ-CZ2 3.28Å; F232-W272 HydrophobicContact CZ-CZ2 3.28Å; C233-W272 HydrophobicContact CB-CH2 4.32Å; C233-W272 HydrophobicContact CB-CZ2 3.8Å; D253-W272 HydrophobicContact CB-CH2 3.82Å; D253-W272 HydrophobicContact CB-CZ2 4.47Å; D253-W272 HydrophobicContact CB-CZ3 4.08Å; W259-W272 AromaticContact CE2-CD1 3.55Å; W259-W272 AromaticContact CE2-NE1 3.45Å; W259-W272 AromaticContact CH2-NE1 3.72Å; W259-W272 AromaticContact CZ2-CD1 3.81Å; W259-W272 AromaticContact CZ2-NE1 3.28Å; W259-W272 VanDerWaalsContact CZ2-NE1 3.28Å; W259-W272 AromaticContact NE1-CD1 3.47Å; W259-W272 AromaticContact NE1-NE1 3.88Å; W272-L277 HydrophobicContact CB-CD1 4.02Å; W272-L277 HydrophobicContact CB-CG 4.3Å; W272-L277 HydrophobicContact CD2-CD1 4.28Å; W272-L277 HydrophobicContact CD2-CD2 4.13Å; W272-L277 HydrophobicContact CE3-CD1 4.2Å; W272-L277 HydrophobicContact CG-CD1 4.25Å; W272-L277 HydrophobicContact CG-CD2 4.19Å; W272-L277 HydrophobicContact CG-CG 4.35Å; W272-T284 HydrophobicContact CE3-CG2 3.37Å; W272-T284 HydrophobicContact CZ3-CG2 3.41Å; W272-T284 VanDerWaalsContact CZ3-CG2 3.41Å; W272-L288 WeakPolarHBondContact O-CD2 3.34Å |
| 273 | C | 84.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 154.3 | 162 | -62.9 | 0 | 0 | 0 | 0 | 109.1 | S275 D276 F292 | C273-S275 PolarHBondContact O-N 2.8Å; C273-D276 WeakPolarHBondContact CB-OD2 3.45Å; C273-D276 PolarHBondContact N-OD2 2.84Å; C273-D276 WeakPolarHBondContact O-CB 3.49Å; C273-D276 PolarHBondContact O-N 2.67Å; C273-F292 HydrophobicContact CB-CZ 4.3Å |
| 274 | P | 84.6 | Confident | 87 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 29% | 0.286 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.3 | 177.3 | -28.9 | 37 | 0 | 0 | 0 | 113.5 | D276 F292 | P274-D276 VanDerWaalsContact C-N 3.31Å; P274-D276 PolarHBondContact O-N 2.62Å; P274-F292 HydrophobicContact CG-CB 3.71Å; P274-F292 HydrophobicContact CG-CD1 4.07Å; P274-F292 HydrophobicContact CG-CD2 3.82Å; P274-F292 HydrophobicContact CG-CE2 4.46Å; P274-F292 HydrophobicContact CG-CG 3.6Å |
| 275 | S | 84.3 | Confident | 87 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -16.2 | -179.8 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | K256 C273 R310 | K256-S275 WeakPolarHBondContact CE-O 3.4Å; K256-S275 PolarHBondContact NZ-O 3.16Å; C273-S275 PolarHBondContact O-N 2.8Å; S275-R310 PolarHBondContact OG-NH2 3.2Å |
| 276 | D | 88 | Confident | 87 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.032 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -21.3 | 178.3 | -65.3 | -40.4 | 0 | 0 | 0 | 113 | K256 W259 R262 C273 P274 | K256-D276 WeakPolarHBondContact CB-O 3.46Å; K256-D276 WeakPolarHBondContact CG-O 3.42Å; K256-D276 PolarHBondContact N-O 2.96Å; W259-D276 HydrophobicContact CB-CB 4.06Å; W259-D276 HydrophobicContact CG-CB 4.39Å; R262-D276 IonicContact CZ-OD1 3.3Å; R262-D276 IonicContact CZ-OD2 2.68Å; R262-D276 IonicContact NH2-OD1 3.41Å; R262-D276 PolarHBondContact NH2-OD1 3.4Å; R262-D276 IonicContact NH2-OD2 3.21Å; R262-D276 PolarHBondContact NH2-OD2 3.34Å; C273-D276 WeakPolarHBondContact CB-OD2 3.45Å; C273-D276 PolarHBondContact N-OD2 2.84Å; C273-D276 WeakPolarHBondContact O-CB 3.49Å; C273-D276 PolarHBondContact O-N 2.67Å; P274-D276 VanDerWaalsContact C-N 3.31Å; P274-D276 PolarHBondContact O-N 2.62Å |
| 277 | L | 89.4 | Confident | 87 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.7 | -179 | -64.4 | 173.1 | 0 | 0 | 0 | 110.2 | A255 W272 A280 T284 L288 | A255-L277 HydrophobicContact CB-CD2 3.96Å; W272-L277 HydrophobicContact CB-CD1 4.02Å; W272-L277 HydrophobicContact CB-CG 4.3Å; W272-L277 HydrophobicContact CD2-CD1 4.28Å; W272-L277 HydrophobicContact CD2-CD2 4.13Å; W272-L277 HydrophobicContact CE3-CD1 4.2Å; W272-L277 HydrophobicContact CG-CD1 4.25Å; W272-L277 HydrophobicContact CG-CD2 4.19Å; W272-L277 HydrophobicContact CG-CG 4.35Å; L277-A280 HydrophobicContact CD1-CB 4.02Å; L277-T284 HydrophobicContact CD1-CG2 4.24Å; L277-L288 HydrophobicContact CD1-CD1 3.51Å |
| 278 | I | 88.4 | Confident | 87.2 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -36.3 | 166.8 | -54.7 | -165 | 0 | 0 | 0 | 109.4 | C236 V239 I247 V254 K256 | C236-I278 WeakPolarHBondContact SG-CD1 3.06Å; V239-I278 HydrophobicContact CG2-CD1 3.94Å; I247-I278 HydrophobicContact CD1-CG2 3.91Å; V254-I278 HydrophobicContact CG1-CB 4.37Å; V254-I278 PolarHBondContact O-N 3.33Å; K256-I278 HydrophobicContact CG-CD1 4.03Å; K256-I278 HydrophobicContact CG-CG1 3.67Å |
| 279 | F | 89.6 | Confident | 87.2 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 133.8 | 176.4 | 176.7 | -100.4 | 0 | 0 | 0 | 109.2 | I247 M252 V254 | I247-F279 HydrophobicContact CB-CB 4.44Å; I247-F279 HydrophobicContact CB-CG 4.4Å; I247-F279 HydrophobicContact CD1-CB 4.25Å; I247-F279 HydrophobicContact CG1-CB 3.77Å; I247-F279 HydrophobicContact CG1-CG 4.21Å; I247-F279 HydrophobicContact CG2-CB 4.11Å; I247-F279 HydrophobicContact CG2-CD2 3.69Å; I247-F279 HydrophobicContact CG2-CE2 4.28Å; I247-F279 HydrophobicContact CG2-CG 3.89Å; M252-F279 VanDerWaalsContact O-CD1 3.3Å; M252-F279 WeakPolarHBondContact O-CD1 3.29Å; M252-F279 WeakPolarHBondContact O-CE1 3.38Å; V254-F279 HydrophobicContact CB-CB 4.11Å; V254-F279 HydrophobicContact CG2-CB 4.2Å; V254-F279 HydrophobicContact CG2-CD1 4.41Å; V254-F279 PolarHBondContact N-O 3.09Å; V254-F279 PolarHBondContact O-N 3.48Å |
| 280 | A | 88.7 | Confident | 87.4 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | trans | -113.2 | 134.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | D253 L277 T284 H285 L288 | D253-A280 VanDerWaalsContact OD1-CA 3.28Å; D253-A280 WeakPolarHBondContact OD1-CA 3.34Å; L277-A280 HydrophobicContact CD1-CB 4.02Å; A280-T284 HydrophobicContact CB-CG2 4.31Å; A280-H285 HydrophobicContact CB-CB 4.13Å; A280-L288 HydrophobicContact CB-CD1 4.43Å | ||
| 281 | K | 89.7 | Confident | 87.6 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | trans | -62.5 | 152.7 | 167.7 | 176.5 | -177.9 | 171.8 | -172.4 | 0 | 109.1 | D253 S283 T284 H285 | D253-K281 PolarHBondContact OD1-N 3.41Å; K281-S283 VanDerWaalsContact C-N 3.25Å; K281-S283 PolarHBondContact O-N 3.04Å; K281-S283 VanDerWaalsContact O-N 3.1Å; K281-T284 WeakPolarHBondContact O-CB 3.23Å; K281-T284 PolarHBondContact O-N 3.25Å; K281-H285 WeakPolarHBondContact O-CB 3.38Å; K281-H285 PolarHBondContact O-N 3.06Å | ||
| 282 | E | 86.4 | Confident | 87.7 | Confident | 149 Ų | 149 | 55.6 Ų | 55.6 | 70% | 0.696 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -47.4 | -43.4 | -178.9 | -163.2 | 60.4 | -135.4 | 0 | 0 | 114.2 | T284 H285 S286 | E282-T284 PolarHBondContact O-N 3.17Å; E282-H285 PolarHBondContact O-N 2.98Å; E282-S286 PolarHBondContact O-N 3.1Å |
| 283 | S | 87.5 | Confident | 87.7 | Confident | 68 Ų | 68 | 56 Ų | 56 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 177.8 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | K281 S286 E287 | K281-S283 VanDerWaalsContact C-N 3.25Å; K281-S283 PolarHBondContact O-N 3.04Å; K281-S283 VanDerWaalsContact O-N 3.1Å; S283-S286 PolarHBondContact O-N 2.88Å; S283-E287 PolarHBondContact O-N 2.8Å |
| 284 | T | 87.6 | Confident | 87.6 | Confident | 12 Ų | 12 | 65 Ų | 65 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.1 | -38.8 | 179.8 | -54 | 0 | 0 | 0 | 0 | 110.5 | D253 W272 L277 A280 K281 E282 S286 E287 L288 | D253-T284 VanDerWaalsContact CG-OG1 3.28Å; D253-T284 WeakPolarHBondContact OD1-CB 3.3Å; D253-T284 WeakPolarHBondContact OD1-CG2 3.49Å; D253-T284 PolarHBondContact OD1-OG1 3.22Å; D253-T284 VanDerWaalsContact OD1-OG1 3.04Å; D253-T284 PolarHBondContact OD2-OG1 3.33Å; W272-T284 HydrophobicContact CE3-CG2 3.37Å; W272-T284 HydrophobicContact CZ3-CG2 3.41Å; W272-T284 VanDerWaalsContact CZ3-CG2 3.41Å; L277-T284 HydrophobicContact CD1-CG2 4.24Å; A280-T284 HydrophobicContact CB-CG2 4.31Å; K281-T284 WeakPolarHBondContact O-CB 3.23Å; K281-T284 PolarHBondContact O-N 3.25Å; E282-T284 PolarHBondContact O-N 3.17Å; T284-S286 VanDerWaalsContact C-N 3.32Å; T284-S286 PolarHBondContact O-N 3.06Å; T284-E287 PolarHBondContact O-N 3.42Å; T284-L288 HydrophobicContact CG2-CD1 4.09Å; T284-L288 VanDerWaalsContact O-CG 3.31Å; T284-L288 WeakPolarHBondContact O-CG 3.38Å; T284-L288 PolarHBondContact O-N 3.02Å |
| 285 | H | 87.7 | Confident | 87.5 | Confident | 103 Ų | 103 | 66 Ų | 66 | 48% | 0.477 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176 | -177 | -96.7 | 0 | 0 | 0 | 111.4 | A280 K281 E282 L288 S289 | A280-H285 HydrophobicContact CB-CB 4.13Å; K281-H285 WeakPolarHBondContact O-CB 3.38Å; K281-H285 PolarHBondContact O-N 3.06Å; E282-H285 PolarHBondContact O-N 2.98Å; H285-L288 PolarHBondContact O-N 3.04Å; H285-S289 WeakPolarHBondContact O-CB 3.44Å; H285-S289 PolarHBondContact O-N 2.85Å; H285-S289 PolarHBondContact O-OG 3.11Å |
| 286 | S | 88.7 | Confident | 87.4 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 47% | 0.469 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 175.5 | -170.1 | 0 | 0 | 0 | 0 | 113.4 | E282 S283 T284 S289 T290 | E282-S286 PolarHBondContact O-N 3.1Å; S283-S286 PolarHBondContact O-N 2.88Å; T284-S286 VanDerWaalsContact C-N 3.32Å; T284-S286 PolarHBondContact O-N 3.06Å; S286-S289 PolarHBondContact O-OG 3.33Å; S286-T290 PolarHBondContact O-OG1 3.36Å; S286-T290 VanDerWaalsContact O-OG1 3.06Å |
| 287 | E | 88.5 | Confident | 87.2 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 174.1 | -171.3 | -174.9 | 160.5 | 0 | 0 | 110.7 | S283 T284 T290 | S283-E287 PolarHBondContact O-N 2.8Å; T284-E287 PolarHBondContact O-N 3.42Å; E287-T290 PolarHBondContact O-N 3.21Å |
| 288 | L | 88 | Confident | 87 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 179.1 | -71 | 170.6 | 0 | 0 | 0 | 112.3 | W272 L277 A280 T284 H285 T290 R291 F292 | W272-L288 WeakPolarHBondContact O-CD2 3.34Å; L277-L288 HydrophobicContact CD1-CD1 3.51Å; A280-L288 HydrophobicContact CB-CD1 4.43Å; T284-L288 HydrophobicContact CG2-CD1 4.09Å; T284-L288 VanDerWaalsContact O-CG 3.31Å; T284-L288 WeakPolarHBondContact O-CG 3.38Å; T284-L288 PolarHBondContact O-N 3.02Å; H285-L288 PolarHBondContact O-N 3.04Å; L288-T290 PolarHBondContact O-N 3.1Å; L288-R291 PolarHBondContact O-N 2.79Å; L288-F292 HydrophobicContact CD2-CD2 3.87Å; L288-F292 HydrophobicContact CD2-CE2 3.77Å; L288-F292 PolarHBondContact O-N 3.32Å |
| 289 | S | 86.8 | Confident | 86.9 | Confident | 60 Ų | 60 | 72 Ų | 72 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -22.2 | 178.8 | 66.5 | 0 | 0 | 0 | 0 | 113.5 | H285 S286 | H285-S289 WeakPolarHBondContact O-CB 3.44Å; H285-S289 PolarHBondContact O-N 2.85Å; H285-S289 PolarHBondContact O-OG 3.11Å; S286-S289 PolarHBondContact O-OG 3.33Å |
| 290 | T | 89.6 | Confident | 86.8 | Confident | 104 Ų | 104 | 74 Ų | 74 | 64% | 0.638 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -76.6 | -27.7 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | S286 E287 L288 Y299 | S286-T290 PolarHBondContact O-OG1 3.36Å; S286-T290 VanDerWaalsContact O-OG1 3.06Å; E287-T290 PolarHBondContact O-N 3.21Å; L288-T290 PolarHBondContact O-N 3.1Å; T290-Y299 WeakPolarHBondContact O-CD2 3.16Å |
| 291 | R | 88 | Confident | 86.6 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -102.8 | -26.6 | -174.3 | -68.3 | 178.7 | 60.5 | 178 | -0.2 | 113.7 | L288 Y299 | L288-R291 PolarHBondContact O-N 2.79Å; R291-Y299 WeakPolarHBondContact O-CD2 3.47Å; R291-Y299 PolarHBondContact O-N 3.36Å |
| 292 | F | 88.4 | Confident | 86.3 | Confident | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.035 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -127.5 | 151.2 | -174 | -59.8 | -88.1 | 0 | 0 | 0 | 111.6 | C273 P274 L288 D297 Y299 | C273-F292 HydrophobicContact CB-CZ 4.3Å; P274-F292 HydrophobicContact CG-CB 3.71Å; P274-F292 HydrophobicContact CG-CD1 4.07Å; P274-F292 HydrophobicContact CG-CD2 3.82Å; P274-F292 HydrophobicContact CG-CE2 4.46Å; P274-F292 HydrophobicContact CG-CG 3.6Å; L288-F292 HydrophobicContact CD2-CD2 3.87Å; L288-F292 HydrophobicContact CD2-CE2 3.77Å; L288-F292 PolarHBondContact O-N 3.32Å; F292-D297 CarbonylContact C-O 3.5Å; F292-D297 WeakPolarHBondContact CA-O 3.44Å; F292-D297 WeakPolarHBondContact CB-O 3.38Å; F292-Y299 VanDerWaalsContact C-CE2 3.43Å; F292-Y299 WeakPolarHBondContact O-CE2 3.28Å; F292-Y299 PolarHBondContact O-OH 3.3Å |
| 293 | D | 86.9 | Confident | 86.2 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 23% | 0.225 | 41% | 0.407 | C | S | . | . | trans | -76.8 | -179.9 | 171.1 | 86 | -8.7 | 0 | 0 | 0 | 112.2 | F295 G296 D297 Y299 | D293-F295 PolarHBondContact O-N 2.97Å; D293-F295 WeakPolarHBondContact OD1-CA 3.28Å; D293-F295 PolarHBondContact OD1-N 3.14Å; D293-G296 PolarHBondContact O-N 3.46Å; D293-G296 PolarHBondContact OD1-N 3.1Å; D293-D297 PolarHBondContact N-O 3.37Å; D293-D297 PolarHBondContact OD1-N 3.05Å; D293-Y299 VanDerWaalsContact CA-OH 3.32Å; D293-Y299 WeakPolarHBondContact CA-OH 3.48Å; D293-Y299 HydrophobicContact CB-CE1 3.89Å | ||
| 294 | R | 84 | Confident | 86.1 | Confident | 223 Ų | 223 | 77.5 Ų | 77.5 | 84% | 0.842 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.2 | 178.6 | 60.5 | 168.8 | 44.4 | -176.8 | -7.4 | 114.8 | ||
| 295 | F | 82.2 | Confident | 86.2 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.9 | -179 | -56.5 | -65.9 | 0 | 0 | 0 | 112.3 | D293 I311 N314 M315 | D293-F295 PolarHBondContact O-N 2.97Å; D293-F295 WeakPolarHBondContact OD1-CA 3.28Å; D293-F295 PolarHBondContact OD1-N 3.14Å; F295-I311 HydrophobicContact CB-CG2 4Å; F295-N314 PolarHBondContact O-ND2 3.34Å; F295-M315 HydrophobicContact CB-CE 4.28Å; F295-M315 HydrophobicContact CB-CG 4.4Å; F295-M315 HydrophobicContact CD1-CB 4.35Å; F295-M315 HydrophobicContact CD1-CG 3.51Å; F295-M315 HydrophobicContact CD2-CE 3.47Å; F295-M315 VanDerWaalsContact CD2-CE 3.47Å; F295-M315 HydrophobicContact CD2-CG 4.11Å; F295-M315 HydrophobicContact CE1-CB 4.28Å; F295-M315 HydrophobicContact CE1-CG 3.66Å; F295-M315 HydrophobicContact CE2-CE 3.85Å; F295-M315 HydrophobicContact CE2-CG 4.23Å; F295-M315 HydrophobicContact CG-CE 3.85Å; F295-M315 HydrophobicContact CG-CG 3.74Å; F295-M315 HydrophobicContact CZ-CG 4.02Å |
| 296 | G | 81.2 | Confident | 86 | Confident | 24 Ų | 24 | 80 Ų | 80 | 25% | 0.247 | 42% | 0.423 | C | S | . | . | S | Bend | trans | 97.3 | 14.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D293 | D293-G296 PolarHBondContact O-N 3.46Å; D293-G296 PolarHBondContact OD1-N 3.1Å |
| 297 | D | 84 | Confident | 85.7 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 27% | 0.267 | 42% | 0.417 | S | S | . | . | trans | -78 | 141.3 | 173.7 | -168.3 | 20.5 | 0 | 0 | 0 | 111.3 | F292 D293 V303 I311 | F292-D297 CarbonylContact C-O 3.5Å; F292-D297 WeakPolarHBondContact CA-O 3.44Å; F292-D297 WeakPolarHBondContact CB-O 3.38Å; D293-D297 PolarHBondContact N-O 3.37Å; D293-D297 PolarHBondContact OD1-N 3.05Å; D297-V303 WeakPolarHBondContact OD1-CG2 3.34Å; D297-I311 HydrophobicContact CB-CD1 3.73Å; D297-I311 HydrophobicContact CB-CG1 4.37Å | ||
| 298 | S | 85.7 | Confident | 85.6 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 8% | 0.084 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -87.4 | 131.3 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | S300 Q301 | S298-S300 PolarHBondContact O-N 2.91Å; S298-S300 VanDerWaalsContact O-N 3.16Å; S298-S300 PolarHBondContact OG-N 3.45Å; S298-Q301 PolarHBondContact OG-N 3.37Å |
| 299 | Y | 86 | Confident | 85.5 | Confident | 155 Ų | 155 | 85.3 Ų | 85.3 | 61% | 0.608 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -67.9 | -15 | 177.4 | -60 | -56.2 | 0 | 0 | 0 | 114.1 | T290 R291 F292 D293 | T290-Y299 WeakPolarHBondContact O-CD2 3.16Å; R291-Y299 WeakPolarHBondContact O-CD2 3.47Å; R291-Y299 PolarHBondContact O-N 3.36Å; F292-Y299 VanDerWaalsContact C-CE2 3.43Å; F292-Y299 WeakPolarHBondContact O-CE2 3.28Å; F292-Y299 PolarHBondContact O-OH 3.3Å; D293-Y299 VanDerWaalsContact CA-OH 3.32Å; D293-Y299 WeakPolarHBondContact CA-OH 3.48Å; D293-Y299 HydrophobicContact CB-CE1 3.89Å |
| 300 | S | 86.7 | Confident | 85.3 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 69% | 0.692 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -122.3 | -12.3 | -171.6 | 62.1 | 0 | 0 | 0 | 0 | 115.3 | S298 | S298-S300 PolarHBondContact O-N 2.91Å; S298-S300 VanDerWaalsContact O-N 3.16Å; S298-S300 PolarHBondContact OG-N 3.45Å |
| 301 | Q | 84.3 | Confident | 85.1 | Confident | 120 Ų | 120 | 83.5 Ų | 83.5 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -110.2 | 141.4 | -175.4 | -65.1 | -175.3 | -12.4 | 0 | 0 | 110.8 | S298 V303 | S298-Q301 PolarHBondContact OG-N 3.37Å; Q301-V303 PolarHBondContact O-N 2.88Å |
| 302 | L | 85.1 | Confident | 85 | Confident | 177 Ų | 177 | 83.5 Ų | 83.5 | 93% | 0.927 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 131 | 174.7 | -65.8 | 174.6 | 0 | 0 | 0 | 110 | ||
| 303 | V | 83.5 | Confident | 84.8 | Confident | 53 Ų | 53 | 86.2 Ų | 86.2 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 125.7 | -177 | -162.9 | 0 | 0 | 0 | 0 | 110.1 | D297 Q301 D307 L308 I311 | D297-V303 WeakPolarHBondContact OD1-CG2 3.34Å; Q301-V303 PolarHBondContact O-N 2.88Å; V303-D307 HydrophobicContact CG1-CB 3.65Å; V303-L308 HydrophobicContact CB-CD2 4.38Å; V303-L308 HydrophobicContact CB-CG 4.25Å; V303-L308 HydrophobicContact CG1-CB 4.39Å; V303-L308 HydrophobicContact CG1-CD2 3.83Å; V303-L308 HydrophobicContact CG1-CG 3.61Å; V303-I311 HydrophobicContact CG1-CD1 3.73Å |
| 304 | S | 86.3 | Confident | 84.5 | Confident | 48 Ų | 48 | 89 Ų | 89 | 34% | 0.336 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 163.8 | 172.1 | 76.6 | 0 | 0 | 0 | 0 | 111.5 | D306 D307 L308 | S304-D306 PolarHBondContact O-N 3.08Å; S304-D307 WeakPolarHBondContact CB-OD2 3.46Å; S304-D307 PolarHBondContact O-N 3.21Å; S304-D307 VanDerWaalsContact O-N 3.16Å; S304-D307 PolarHBondContact OG-N 2.6Å; S304-D307 VanDerWaalsContact OG-N 3.11Å; S304-D307 PolarHBondContact OG-OD2 3.06Å; S304-L308 PolarHBondContact O-N 3.46Å |
| 305 | S | 88.3 | Confident | 84.4 | Confident | 76 Ų | 76 | 83.1 Ų | 83.1 | 53% | 0.531 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.4 | -30.2 | 176.2 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | R309 | S305-R309 PolarHBondContact O-N 2.57Å |
| 306 | D | 84.1 | Confident | 84 | Confident | 93 Ų | 93 | 87 Ų | 87 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -75.3 | -37.7 | 174.5 | -70.9 | -35.9 | 0 | 0 | 0 | 112.3 | S304 R309 R310 | S304-D306 PolarHBondContact O-N 3.08Å; D306-R309 PolarHBondContact O-N 3.25Å; D306-R309 IonicContact OD1-CZ 3.72Å; D306-R309 IonicContact OD1-NE 2.67Å; D306-R309 PolarHBondContact OD1-NE 2.96Å; D306-R309 IonicContact OD1-NH2 3.69Å; D306-R309 PolarHBondContact OD1-NH2 3.47Å; D306-R310 WeakPolarHBondContact O-CG 3.38Å; D306-R310 PolarHBondContact O-N 2.87Å |
| 307 | D | 82.4 | Confident | 83.1 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 33% | 0.332 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.2 | -63.9 | -44.9 | 0 | 0 | 0 | 111 | V303 S304 R309 R310 I311 | V303-D307 HydrophobicContact CG1-CB 3.65Å; S304-D307 WeakPolarHBondContact CB-OD2 3.46Å; S304-D307 PolarHBondContact O-N 3.21Å; S304-D307 VanDerWaalsContact O-N 3.16Å; S304-D307 PolarHBondContact OG-N 2.6Å; S304-D307 VanDerWaalsContact OG-N 3.11Å; S304-D307 PolarHBondContact OG-OD2 3.06Å; D307-R309 VanDerWaalsContact C-N 3.32Å; D307-R309 PolarHBondContact O-N 3.46Å; D307-R310 WeakPolarHBondContact O-CB 3.4Å; D307-R310 PolarHBondContact O-N 3.5Å; D307-R310 VanDerWaalsContact O-N 3.08Å; D307-R310 IonicContact OD1-NH1 3.97Å; D307-I311 WeakPolarHBondContact O-CD1 3.37Å; D307-I311 VanDerWaalsContact O-CG1 3.28Å; D307-I311 WeakPolarHBondContact O-CG1 3.49Å; D307-I311 PolarHBondContact O-N 3.03Å |
| 308 | L | 85.1 | Confident | 81.9 | Confident | 91 Ų | 91 | 98.4 Ų | 98.4 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.3 | -45.1 | 173.2 | -80.1 | 172.2 | 0 | 0 | 0 | 111.8 | V303 S304 R310 I311 C312 | V303-L308 HydrophobicContact CB-CD2 4.38Å; V303-L308 HydrophobicContact CB-CG 4.25Å; V303-L308 HydrophobicContact CG1-CB 4.39Å; V303-L308 HydrophobicContact CG1-CD2 3.83Å; V303-L308 HydrophobicContact CG1-CG 3.61Å; S304-L308 PolarHBondContact O-N 3.46Å; L308-R310 VanDerWaalsContact C-N 3.28Å; L308-R310 PolarHBondContact O-N 2.95Å; L308-I311 PolarHBondContact O-N 3.38Å; L308-C312 WeakPolarHBondContact O-CB 3.37Å; L308-C312 PolarHBondContact O-N 3.21Å; L308-C312 PolarHBondContact O-SG 2.83Å |
| 309 | R | 87.5 | Confident | 80.1 | Confident | 157 Ų | 157 | 104.6 Ų | 104.6 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.9 | -41.8 | 176.4 | -81.6 | -174.7 | -89.8 | -97.3 | 3.8 | 112 | S305 D306 D307 A313 | S305-R309 PolarHBondContact O-N 2.57Å; D306-R309 PolarHBondContact O-N 3.25Å; D306-R309 IonicContact OD1-CZ 3.72Å; D306-R309 IonicContact OD1-NE 2.67Å; D306-R309 PolarHBondContact OD1-NE 2.96Å; D306-R309 IonicContact OD1-NH2 3.69Å; D306-R309 PolarHBondContact OD1-NH2 3.47Å; D307-R309 VanDerWaalsContact C-N 3.32Å; D307-R309 PolarHBondContact O-N 3.46Å; R309-A313 PolarHBondContact O-N 3.35Å; R309-A313 VanDerWaalsContact O-N 3.1Å |
| 310 | R | 82.7 | Confident | 77.8 | Confident | 111 Ų | 111 | 112 Ų | 112 | 42% | 0.419 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70 | -43.4 | -179.5 | -64.8 | 166.5 | 76.6 | -169.5 | 13 | 111.7 | S275 D306 D307 L308 A313 N314 | S275-R310 PolarHBondContact OG-NH2 3.2Å; D306-R310 WeakPolarHBondContact O-CG 3.38Å; D306-R310 PolarHBondContact O-N 2.87Å; D307-R310 WeakPolarHBondContact O-CB 3.4Å; D307-R310 PolarHBondContact O-N 3.5Å; D307-R310 VanDerWaalsContact O-N 3.08Å; D307-R310 IonicContact OD1-NH1 3.97Å; L308-R310 VanDerWaalsContact C-N 3.28Å; L308-R310 PolarHBondContact O-N 2.95Å; R310-A313 PolarHBondContact O-N 3.35Å; R310-N314 PolarHBondContact O-N 3.34Å; R310-N314 VanDerWaalsContact O-N 3.14Å |
| 311 | I | 85.1 | Confident | 77.3 | Confident | 16 Ų | 16 | 112.7 Ų | 112.7 | 8% | 0.082 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -61.8 | -47.5 | 177.2 | -67.6 | 160.5 | 0 | 0 | 0 | 109.9 | F295 D297 V303 D307 L308 A313 N314 M315 | F295-I311 HydrophobicContact CB-CG2 4Å; D297-I311 HydrophobicContact CB-CD1 3.73Å; D297-I311 HydrophobicContact CB-CG1 4.37Å; V303-I311 HydrophobicContact CG1-CD1 3.73Å; D307-I311 WeakPolarHBondContact O-CD1 3.37Å; D307-I311 VanDerWaalsContact O-CG1 3.28Å; D307-I311 WeakPolarHBondContact O-CG1 3.49Å; D307-I311 PolarHBondContact O-N 3.03Å; L308-I311 PolarHBondContact O-N 3.38Å; I311-A313 VanDerWaalsContact C-N 3.31Å; I311-A313 PolarHBondContact O-N 3.25Å; I311-N314 WeakPolarHBondContact O-CB 3.35Å; I311-N314 PolarHBondContact O-N 3.27Å; I311-M315 HydrophobicContact CG2-CE 3.77Å; I311-M315 PolarHBondContact O-N 3.16Å; I311-M315 VanDerWaalsContact O-N 3.1Å |
| 312 | C | 85.6 | Confident | 77 | Confident | 72 Ų | 72 | 112.3 Ų | 112.3 | 49% | 0.486 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60 | -38.2 | 177 | -72.1 | 0 | 0 | 0 | 0 | 112.7 | L308 N314 M315 | L308-C312 WeakPolarHBondContact O-CB 3.37Å; L308-C312 PolarHBondContact O-N 3.21Å; L308-C312 PolarHBondContact O-SG 2.83Å; C312-N314 VanDerWaalsContact C-N 3.3Å; C312-N314 PolarHBondContact O-N 2.91Å; C312-M315 PolarHBondContact O-N 3.11Å |
| 313 | A | 84.5 | Confident | 76.5 | Confident | 65 Ų | 65 | 108.7 Ų | 108.7 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.2 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R309 R310 I311 | R309-A313 PolarHBondContact O-N 3.35Å; R309-A313 VanDerWaalsContact O-N 3.1Å; R310-A313 PolarHBondContact O-N 3.35Å; I311-A313 VanDerWaalsContact C-N 3.31Å; I311-A313 PolarHBondContact O-N 3.25Å |
| 314 | N | 80.4 | Confident | 76.1 | Confident | 101 Ų | 101 | 111.9 Ų | 111.9 | 54% | 0.54 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.4 | -24.4 | 176.5 | -68.5 | -20.7 | 0 | 0 | 0 | 113.2 | F295 R310 I311 C312 | F295-N314 PolarHBondContact O-ND2 3.34Å; R310-N314 PolarHBondContact O-N 3.34Å; R310-N314 VanDerWaalsContact O-N 3.14Å; I311-N314 WeakPolarHBondContact O-CB 3.35Å; I311-N314 PolarHBondContact O-N 3.27Å; C312-N314 VanDerWaalsContact C-N 3.3Å; C312-N314 PolarHBondContact O-N 2.91Å |
| 315 | M | 81.1 | Confident | 75.5 | Confident | 98 Ų | 98 | 115.9 Ų | 115.9 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.2 | -23.5 | 177.4 | -73.1 | 179 | 176.3 | 0 | 0 | 113.2 | F295 I311 C312 | F295-M315 HydrophobicContact CB-CE 4.28Å; F295-M315 HydrophobicContact CB-CG 4.4Å; F295-M315 HydrophobicContact CD1-CB 4.35Å; F295-M315 HydrophobicContact CD1-CG 3.51Å; F295-M315 HydrophobicContact CD2-CE 3.47Å; F295-M315 VanDerWaalsContact CD2-CE 3.47Å; F295-M315 HydrophobicContact CD2-CG 4.11Å; F295-M315 HydrophobicContact CE1-CB 4.28Å; F295-M315 HydrophobicContact CE1-CG 3.66Å; F295-M315 HydrophobicContact CE2-CE 3.85Å; F295-M315 HydrophobicContact CE2-CG 4.23Å; F295-M315 HydrophobicContact CG-CE 3.85Å; F295-M315 HydrophobicContact CG-CG 3.74Å; F295-M315 HydrophobicContact CZ-CG 4.02Å; I311-M315 HydrophobicContact CG2-CE 3.77Å; I311-M315 PolarHBondContact O-N 3.16Å; I311-M315 VanDerWaalsContact O-N 3.1Å; C312-M315 PolarHBondContact O-N 3.11Å |
| 316 | Q | 74.3 | Confident | 74.6 | Confident | 147 Ų | 147 | 118.6 Ų | 118.6 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -67.3 | 130.8 | -179.4 | -66.7 | -165.1 | -3.4 | 0 | 0 | 110.6 | K318 | Q316-K318 PolarHBondContact O-N 3.27Å; Q316-K318 VanDerWaalsContact O-N 3.15Å |
| 317 | P | 62.9 | Low | 73.9 | Confident | 113 Ų | 113 | 120.4 Ų | 120.4 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | trans | -60.2 | 123.7 | 175.7 | 23.5 | -30.5 | 0 | 0 | 0 | 108.5 | V319 | P317-V319 VanDerWaalsContact C-N 3.29Å; P317-V319 PolarHBondContact O-N 3.3Å | ||
| 318 | K | 58.7 | Low | 73.3 | Confident | 200 Ų | 200 | 124.9 Ų | 124.9 | 87% | 0.87 | 61% | 0.611 | S | S | * | * | trans | -61.8 | 97.6 | 168.4 | -69.2 | -176.3 | -178.6 | 176.8 | 0 | 106.9 | Q316 R320 | Q316-K318 PolarHBondContact O-N 3.27Å; Q316-K318 VanDerWaalsContact O-N 3.15Å; K318-R320 PolarHBondContact O-N 2.68Å | ||
| 319 | V | 48.2 | Very low | 72.3 | Confident | 142 Ų | 142 | 127.8 Ų | 127.8 | 86% | 0.861 | 62% | 0.622 | S | S | * | * | trans | -54.7 | 112.8 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 106.1 | P317 | P317-V319 VanDerWaalsContact C-N 3.29Å; P317-V319 PolarHBondContact O-N 3.3Å | ||
| 320 | R | 36.8 | Very low | 70.9 | Confident | 311 Ų | 311 | 125.1 Ų | 125.1 | 100% | 1.174 | 63% | 0.625 | S | S | * | * | trans | -75.9 | 0 | 176.4 | -91.1 | -173.2 | 174.2 | -175.9 | -0.4 | 110.4 | K318 | K318-R320 PolarHBondContact O-N 2.68Š|
Retrieved 320 of 320 residues in 187.2 ms
(Link to these results)