| 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 | 43.4 | Very low | 78.9 | Confident | 234 Ų | 234 | 114.9 Ų | 114.9 | 100% | 1.153 | 58% | 0.577 | S | S | * | * | 0 | 116.3 | 0 | -73.5 | 173 | 175.2 | 0 | 0 | 105.6 | V3 | M1-V3 PolarHBondContact O-N 2.85Å; M1-V3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | Q | 42.5 | Very low | 80.3 | Confident | 187 Ų | 187 | 105.5 Ų | 105.5 | 87% | 0.874 | 53% | 0.53 | S | S | * | . | trans | -58.9 | 116.4 | 171.8 | -115.7 | 163.6 | -14.6 | 0 | 0 | 106.2 | D4 | Q2-D4 PolarHBondContact O-N 3.34Š| ||
| 3 | V | 55.4 | Low | 81.3 | Confident | 133 Ų | 133 | 101.5 Ų | 101.5 | 81% | 0.806 | 52% | 0.518 | S | S | * | . | trans | -73.9 | 105.9 | 166.7 | -177.1 | 0 | 0 | 0 | 0 | 103.3 | M1 E5 | M1-V3 PolarHBondContact O-N 2.85Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-E5 PolarHBondContact O-N 3.35Å | ||
| 4 | D | 74.3 | Confident | 82.3 | Confident | 135 Ų | 135 | 101.9 Ų | 101.9 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 126.8 | 175.8 | -77.7 | -27.8 | 0 | 0 | 0 | 108 | Q2 | Q2-D4 PolarHBondContact O-N 3.34Š|
| 5 | E | 86.2 | Confident | 83.3 | Confident | 179 Ų | 179 | 95.5 Ų | 95.5 | 84% | 0.836 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 139 | 179.2 | -74.3 | -174.6 | 163.5 | 0 | 0 | 110 | V3 V7 | V3-E5 PolarHBondContact O-N 3.35Å; E5-V7 PolarHBondContact O-N 2.8Å |
| 6 | P | 90.4 | Very high | 84.2 | Confident | 49 Ų | 49 | 89.5 Ų | 89.5 | 32% | 0.318 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 135.4 | 178.3 | -24.4 | 33.4 | 0 | 0 | 0 | 111.7 | R8 V216 S310 H312 | P6-R8 PolarHBondContact O-N 3.17Å; P6-V216 HydrophobicContact CB-CG1 4.3Å; P6-V216 HydrophobicContact CG-CG1 3.93Å; P6-S310 CarbonylContact C-O 3.52Å; P6-S310 WeakPolarHBondContact CA-O 3.14Å; P6-H312 HydrophobicContact CB-CB 4.08Å |
| 7 | V | 95.3 | Very high | 85 | Confident | 45 Ų | 45 | 84.2 Ų | 84.2 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128.4 | 172.8 | 175.5 | 0 | 0 | 0 | 0 | 108.7 | E5 L9 W136 P309 S310 I311 H312 | E5-V7 PolarHBondContact O-N 2.8Å; V7-L9 HydrophobicContact CG1-CD2 3.97Å; V7-L9 HydrophobicContact CG1-CG 4.23Å; V7-W136 HydrophobicContact CB-CE3 4.32Å; V7-W136 HydrophobicContact CB-CZ3 4.01Å; V7-W136 HydrophobicContact CG1-CE3 3.86Å; V7-W136 HydrophobicContact CG1-CZ3 3.44Å; V7-W136 VanDerWaalsContact CG1-CZ3 3.44Å; V7-W136 HydrophobicContact CG2-CE3 4.32Å; V7-W136 HydrophobicContact CG2-CH2 4.21Å; V7-W136 HydrophobicContact CG2-CZ3 3.71Å; V7-P309 HydrophobicContact CG2-CB 3.89Å; V7-P309 HydrophobicContact CG2-CG 3.79Å; V7-S310 PolarHBondContact N-O 3Å; V7-I311 HydrophobicContact CB-CG2 4.25Å; V7-I311 CarbonylContact O-C 3.21Å; V7-I311 VanDerWaalsContact O-CA 3.24Å; V7-I311 WeakPolarHBondContact O-CA 3.32Å; V7-H312 PolarHBondContact O-N 3.11Å |
| 8 | R | 94.9 | Very high | 85.8 | Confident | 115 Ų | 115 | 79.6 Ų | 79.6 | 43% | 0.434 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.6 | 175.6 | -53.6 | -171.1 | 178.1 | -138.9 | 6 | 111.1 | P6 H312 Q314 E318 | P6-R8 PolarHBondContact O-N 3.17Å; R8-H312 CarbonylContact C-O 3.6Å; R8-H312 VanDerWaalsContact CA-O 3.28Å; R8-H312 WeakPolarHBondContact CA-O 3.28Å; R8-Q314 HydrophobicContact CB-CG 3.51Å; R8-Q314 PolarHBondContact O-NE2 3.18Å; R8-E318 WeakPolarHBondContact CD-OE2 3.26Å; R8-E318 IonicContact CZ-OE1 3.34Å; R8-E318 IonicContact CZ-OE2 3.62Å; R8-E318 IonicContact NE-OE1 3.29Å; R8-E318 IonicContact NE-OE2 3.89Å; R8-E318 IonicContact NH1-OE1 3.48Å; R8-E318 PolarHBondContact NH1-OE1 3.41Å; R8-E318 IonicContact NH1-OE2 3.75Å; R8-E318 PolarHBondContact NH1-OE2 2.69Å; R8-E318 IonicContact NH2-OE1 3.76Å |
| 9 | L | 95.9 | Very high | 86.5 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 14% | 0.141 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.8 | 178 | -61.6 | 175.1 | 0 | 0 | 0 | 111.2 | V7 W136 V137 F211 I311 H312 V313 Q314 | V7-L9 HydrophobicContact CG1-CD2 3.97Å; V7-L9 HydrophobicContact CG1-CG 4.23Å; L9-W136 HydrophobicContact CD1-CB 4.43Å; L9-V137 HydrophobicContact CD1-CG2 3.88Å; L9-F211 HydrophobicContact CB-CZ 3.94Å; L9-I311 HydrophobicContact CD1-CB 4.17Å; L9-I311 HydrophobicContact CD1-CD1 3.96Å; L9-I311 HydrophobicContact CD1-CG2 3.96Å; L9-H312 PolarHBondContact N-O 3.27Å; L9-V313 CarbonylContact O-C 3.36Å; L9-V313 WeakPolarHBondContact O-CA 3.26Å; L9-Q314 PolarHBondContact O-N 3.04Å |
| 10 | P | 95 | Very high | 87.1 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | trans | -58.5 | 152.1 | 177.9 | -23.8 | 33.8 | 0 | 0 | 0 | 112.8 | ||||
| 11 | R | 94.9 | Very high | 87.7 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | trans | -61.2 | 143.3 | 174 | -167 | -177.9 | -169.8 | 149.9 | 10.7 | 111.4 | S13 N212 V313 | R11-S13 PolarHBondContact O-N 3.04Å; R11-N212 HydrophobicContact CG-CB 4.01Å; R11-N212 VanDerWaalsContact CG-CG 3.45Å; R11-N212 VanDerWaalsContact CG-OD1 3.23Å; R11-N212 WeakPolarHBondContact CG-OD1 3.29Å; R11-N212 PolarHBondContact NH2-O 3.4Å; R11-V313 HydrophobicContact CB-CG2 3.92Å; R11-V313 HydrophobicContact CG-CG2 4.3Å | ||
| 12 | L | 95.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | trans | -95.1 | 78.3 | 176.5 | -56.3 | 178.5 | 0 | 0 | 0 | 110 | V15 A48 D112 V137 W207 V208 F211 N212 | L12-V15 HydrophobicContact CB-CG2 4.33Å; L12-A48 WeakPolarHBondContact O-CB 3.49Å; L12-D112 HydrophobicContact CB-CB 4.33Å; L12-D112 HydrophobicContact CD2-CB 3.79Å; L12-V137 HydrophobicContact CD1-CG1 3.74Å; L12-V137 HydrophobicContact CD2-CG1 4.49Å; L12-W207 HydrophobicContact CD1-CZ3 3.74Å; L12-V208 HydrophobicContact CB-CG1 4.13Å; L12-V208 HydrophobicContact CD1-CG2 4.11Å; L12-F211 HydrophobicContact CD1-CD1 4.25Å; L12-F211 HydrophobicContact CG-CD1 4.21Å; L12-F211 HydrophobicContact CG-CE1 4.28Å; L12-N212 PolarHBondContact N-OD1 3.32Å; L12-N212 PolarHBondContact O-ND2 3.49Å | ||
| 13 | S | 92.8 | Very high | 93 | Very high | 54 Ų | 54 | 48.4 Ų | 48.4 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | trans | -82.5 | -31.3 | -171.9 | -62.2 | 0 | 0 | 0 | 0 | 113 | R11 S49 D112 | R11-S13 PolarHBondContact O-N 3.04Å; S13-S49 PolarHBondContact O-N 2.92Å; S13-D112 PolarHBondContact N-OD2 2.83Å | ||
| 14 | R | 95.5 | Very high | 95 | Very high | 107 Ų | 107 | 43.2 Ų | 43.2 | 40% | 0.404 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 105.2 | -179.7 | -66.4 | 173.6 | 65 | -156.1 | -2.5 | 109.7 | A109 V111 D112 L113 | R14-A109 PolarHBondContact NH1-O 3.06Å; R14-V111 HydrophobicContact CB-CB 4.19Å; R14-V111 HydrophobicContact CB-CG1 4.13Å; R14-D112 PolarHBondContact N-OD2 3.34Å; R14-D112 PolarHBondContact O-N 3.36Å; R14-L113 PolarHBondContact O-N 3.38Å |
| 15 | V | 96.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.8 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | L12 S49 L50 L51 L113 M204 V208 | L12-V15 HydrophobicContact CB-CG2 4.33Å; V15-S49 PolarHBondContact N-O 2.94Å; V15-L50 HydrophobicContact CB-CD1 4.15Å; V15-L50 HydrophobicContact CG1-CD1 3.87Å; V15-L50 WeakPolarHBondContact O-CA 3.28Å; V15-L51 PolarHBondContact O-N 2.8Å; V15-L113 CarbonylContact C-O 3.57Å; V15-L113 WeakPolarHBondContact CA-O 3.27Å; V15-L113 HydrophobicContact CG1-CB 4.15Å; V15-L113 HydrophobicContact CG1-CD2 4.06Å; V15-L113 HydrophobicContact CG1-CG 4.23Å; V15-L113 HydrophobicContact CG2-CB 4.15Å; V15-M204 HydrophobicContact CG1-SD 4.16Å; V15-V208 HydrophobicContact CG2-CG1 4Å; V15-V208 HydrophobicContact CG2-CG2 4.43Å |
| 16 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | L51 L102 L113 I114 C115 | A16-L51 CarbonylContact C-O 3.55Å; A16-L51 WeakPolarHBondContact CA-O 3.41Å; A16-L51 HydrophobicContact CB-CB 4.4Å; A16-L102 HydrophobicContact CB-CD2 3.83Å; A16-L113 PolarHBondContact N-O 3.31Å; A16-I114 HydrophobicContact CB-CG1 4.37Å; A16-I114 WeakPolarHBondContact O-CA 3.41Å; A16-C115 PolarHBondContact O-N 2.96Å |
| 17 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116 | 167.2 | 176.7 | 0 | 0 | 0 | 0 | 108 | L50 L51 M52 L53 C115 L117 V201 M204 | V17-L50 HydrophobicContact CG2-CD1 3.83Å; V17-L51 PolarHBondContact N-O 3.04Å; V17-M52 HydrophobicContact CB-CE 3.88Å; V17-M52 HydrophobicContact CB-SD 3.72Å; V17-M52 HydrophobicContact CG1-CE 3.67Å; V17-M52 HydrophobicContact CG1-SD 4.19Å; V17-M52 HydrophobicContact CG2-SD 4.26Å; V17-L53 PolarHBondContact O-N 3.02Å; V17-C115 WeakPolarHBondContact CA-O 3.28Å; V17-C115 HydrophobicContact CG2-CB 4.29Å; V17-L117 HydrophobicContact CG1-CD1 3.7Å; V17-L117 HydrophobicContact CG1-CD2 4.34Å; V17-L117 HydrophobicContact CG1-CG 4.01Å; V17-V201 HydrophobicContact CG1-CG1 4.28Å; V17-V201 HydrophobicContact CG1-CG2 4.36Å; V17-V201 HydrophobicContact CG2-CG1 4.09Å; V17-M204 HydrophobicContact CG2-CE 3.53Å |
| 18 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.5 | -173.5 | -64 | 0 | 0 | 0 | 0 | 109.4 | L53 S55 C115 D116 L117 L169 | C18-L53 WeakPolarHBondContact CA-O 3.42Å; C18-S55 WeakPolarHBondContact CB-OG 3.23Å; C18-C115 PolarHBondContact N-O 2.91Å; C18-D116 HydrophobicContact CB-CB 4.45Å; C18-D116 WeakPolarHBondContact CB-OD1 3.32Å; C18-L117 WeakPolarHBondContact O-CB 3.29Å; C18-L117 VanDerWaalsContact O-CG 3.31Å; C18-L117 WeakPolarHBondContact O-CG 3.48Å; C18-L117 PolarHBondContact O-N 3.36Å; C18-L169 HydrophobicContact CB-CD2 3.67Å |
| 19 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L53 L54 S55 | G19-L53 PolarHBondContact N-O 2.87Å; G19-L54 WeakPolarHBondContact O-CA 3.32Å; G19-S55 PolarHBondContact O-N 2.87Å |
| 20 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | 68.7 | 35.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H22 V29 N56 | G20-H22 WeakPolarHBondContact CA-O 3.4Å; G20-V29 VanDerWaalsContact CA-CG2 3.49Å; G20-N56 WeakPolarHBondContact O-CA 3.07Å; G20-N56 WeakPolarHBondContact O-CB 3.21Å; G20-N56 PolarHBondContact O-N 2.7Å | ||
| 21 | T | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -60.3 | -40.7 | 164.3 | -65 | 0 | 0 | 0 | 0 | 109.6 | S55 L71 N72 D116 L169 | T21-S55 WeakPolarHBondContact OG1-CB 3.47Å; T21-S55 PolarHBondContact OG1-OG 2.84Å; T21-S55 VanDerWaalsContact OG1-OG 3.04Å; T21-L71 HydrophobicContact CG2-CB 4.5Å; T21-L71 HydrophobicContact CG2-CD2 4.31Å; T21-L71 HydrophobicContact CG2-CG 4.42Å; T21-N72 HydrophobicContact CG2-CB 3.81Å; T21-D116 PolarHBondContact OG1-OD1 3.18Å; T21-D116 PolarHBondContact OG1-OD2 2.75Å; T21-L169 VanDerWaalsContact OG1-CD2 3.29Å; T21-L169 WeakPolarHBondContact OG1-CD2 3.24Å |
| 22 | H | 98.9 | Very high | 98 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 2% | 0.023 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -103.2 | 126.4 | 159 | -48.9 | 123.6 | 0 | 0 | 0 | 109.9 | G20 N24 E25 R65 D70 N72 H118 | G20-H22 WeakPolarHBondContact CA-O 3.4Å; H22-N24 VanDerWaalsContact C-N 3.27Å; H22-N24 PolarHBondContact O-N 3.45Å; H22-E25 HydrophobicContact CB-CB 4.41Å; H22-E25 HydrophobicContact CB-CG 3.97Å; H22-E25 WeakPolarHBondContact CB-OE1 3.39Å; H22-E25 IonicContact CE1-OE1 3.86Å; H22-E25 IonicContact CG-OE1 2.73Å; H22-E25 VanDerWaalsContact CG-OE1 3.29Å; H22-E25 IonicContact ND1-OE1 3.98Å; H22-E25 PolarHBondContact ND1-OE1 3.37Å; H22-E25 IonicContact ND1-OE2 2.88Å; H22-E25 PolarHBondContact ND1-OE2 2.77Å; H22-E25 PolarHBondContact O-N 2.93Å; H22-R65 VanDerWaalsContact CA-O 3.24Å; H22-R65 WeakPolarHBondContact CA-O 3.34Å; H22-R65 HydrophobicContact CB-CG 3.92Å; H22-R65 VanDerWaalsContact CD2-CZ 3.42Å; H22-R65 PolarHBondContact CD2-NH2 2.94Å; H22-R65 PolarHBondContact CE1-NH1 3.19Å; H22-R65 PolarHBondContact CE1-NH2 3.08Å; H22-R65 VanDerWaalsContact CG-NH1 3.28Å; H22-R65 PolarHBondContact ND1-NH1 3.48Å; H22-R65 VanDerWaalsContact ND1-NH1 3.19Å; H22-R65 PolarHBondContact NE2-NH2 3.22Å; H22-D70 IonicContact CD2-OD1 3.59Å; H22-D70 IonicContact NE2-OD1 3.63Å; H22-D70 PolarHBondContact NE2-OD1 3.1Å; H22-N72 WeakPolarHBondContact NE2-CB 3.38Å; H22-H118 AromaticContact CE1-CE1 3.33Å; H22-H118 PolarHBondContact CE1-CE1 3.35Å; H22-H118 AromaticContact CE1-ND1 3.17Å; H22-H118 PolarHBondContact CE1-ND1 3.22Å; H22-H118 AromaticContact ND1-CE1 3.63Å; H22-H118 AromaticContact ND1-ND1 3.17Å; H22-H118 PolarHBondContact ND1-ND1 2.86Å; H22-H118 VanDerWaalsContact ND1-ND1 3.17Å |
| 23 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -15.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116 | T64 R65 | G23-T64 CarbonylContact C-O 3.56Å; G23-T64 WeakPolarHBondContact CA-O 3.46Å; G23-T64 PolarHBondContact N-O 3.14Å; G23-R65 PolarHBondContact N-O 2.9Å; G23-R65 VanDerWaalsContact N-O 3.11Å |
| 24 | N | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 13% | 0.128 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 3.1 | 179 | 61.6 | -10.9 | 0 | 0 | 0 | 113.8 | H22 L26 C63 T64 R65 H186 G187 | H22-N24 VanDerWaalsContact C-N 3.27Å; H22-N24 PolarHBondContact O-N 3.45Å; N24-L26 PolarHBondContact O-N 2.88Å; N24-C63 WeakPolarHBondContact CB-O 3.44Å; N24-T64 PolarHBondContact N-O 3.23Å; N24-T64 VanDerWaalsContact N-O 3.11Å; N24-R65 PolarHBondContact ND2-N 3.47Å; N24-R65 VanDerWaalsContact OD1-CA 3.29Å; N24-R65 WeakPolarHBondContact OD1-CA 3.3Å; N24-H186 HydrophobicContact CB-CB 4.19Å; N24-G187 PolarHBondContact O-N 3.45Å |
| 25 | E | 98.9 | Very high | 98 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 2% | 0.023 | 8% | 0.08 | C | C | . | . | trans | -93.1 | 87.4 | 175.3 | -69.4 | 175.5 | -155.4 | 0 | 0 | 109.5 | H22 S27 V29 R65 H118 N119 | H22-E25 HydrophobicContact CB-CB 4.41Å; H22-E25 HydrophobicContact CB-CG 3.97Å; H22-E25 WeakPolarHBondContact CB-OE1 3.39Å; H22-E25 IonicContact CE1-OE1 3.86Å; H22-E25 IonicContact CG-OE1 2.73Å; H22-E25 VanDerWaalsContact CG-OE1 3.29Å; H22-E25 IonicContact ND1-OE1 3.98Å; H22-E25 PolarHBondContact ND1-OE1 3.37Å; H22-E25 IonicContact ND1-OE2 2.88Å; H22-E25 PolarHBondContact ND1-OE2 2.77Å; H22-E25 PolarHBondContact O-N 2.93Å; E25-S27 PolarHBondContact O-N 3.25Å; E25-V29 WeakPolarHBondContact O-CG2 3.17Å; E25-R65 IonicContact OE1-NH1 2.9Å; E25-R65 PolarHBondContact OE1-NH1 3.04Å; E25-H118 VanDerWaalsContact OE2-CA 3.23Å; E25-H118 WeakPolarHBondContact OE2-CA 3.36Å; E25-H118 WeakPolarHBondContact OE2-CB 3.37Å; E25-H118 IonicContact OE2-CG 3.69Å; E25-H118 IonicContact OE2-ND1 3.25Å; E25-H118 PolarHBondContact OE2-ND1 2.87Å; E25-N119 HydrophobicContact CB-CB 3.92Å; E25-N119 HydrophobicContact CG-CB 4.03Å; E25-N119 WeakPolarHBondContact CG-O 3.04Å; E25-N119 PolarHBondContact OE2-N 3.44Å | ||
| 26 | L | 98.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 21.2 Ų | 21.2 | 9% | 0.094 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -78.7 | -19.9 | -155.8 | -62.2 | -172.5 | 0 | 0 | 0 | 115.4 | N24 G28 V29 Y30 N119 G187 V189 | N24-L26 PolarHBondContact O-N 2.88Å; L26-G28 PolarHBondContact O-N 2.79Å; L26-V29 PolarHBondContact O-N 2.79Å; L26-Y30 HydrophobicContact CB-CD2 4.01Å; L26-Y30 HydrophobicContact CB-CE2 4.08Å; L26-Y30 HydrophobicContact CD1-CE2 4.17Å; L26-Y30 HydrophobicContact CG-CE2 4.49Å; L26-Y30 VanDerWaalsContact O-CD2 3.26Å; L26-Y30 WeakPolarHBondContact O-CD2 3.49Å; L26-Y30 PolarHBondContact O-N 3.13Å; L26-N119 PolarHBondContact N-OD1 2.86Å; L26-G187 WeakPolarHBondContact CD1-O 3.31Å; L26-V189 HydrophobicContact CB-CG2 3.43Å; L26-V189 VanDerWaalsContact CB-CG2 3.43Å; L26-V189 HydrophobicContact CD1-CG2 3.99Å; L26-V189 HydrophobicContact CG-CG2 4.37Å |
| 27 | S | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | -179.3 | -61 | 0 | 0 | 0 | 0 | 111.1 | E25 L31 N119 Q184 M197 | E25-S27 PolarHBondContact O-N 3.25Å; S27-L31 VanDerWaalsContact O-CB 3.27Å; S27-L31 WeakPolarHBondContact O-CB 3.4Å; S27-L31 PolarHBondContact O-N 3.44Å; S27-N119 VanDerWaalsContact CB-OD1 3.22Å; S27-N119 WeakPolarHBondContact CB-OD1 3.27Å; S27-N119 PolarHBondContact N-OD1 2.87Å; S27-N119 PolarHBondContact OG-ND2 2.72Å; S27-N119 PolarHBondContact OG-OD1 3.35Å; S27-Q184 PolarHBondContact OG-NE2 2.84Å; S27-Q184 PolarHBondContact OG-OE1 2.88Å; S27-M197 VanDerWaalsContact CB-SD 3.54Å |
| 28 | G | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L26 L31 V32 M197 | L26-G28 PolarHBondContact O-N 2.79Å; G28-L31 PolarHBondContact O-N 2.84Å; G28-V32 WeakPolarHBondContact O-CG2 3.48Å; G28-V32 PolarHBondContact O-N 3.34Å; G28-M197 PolarHBondContact N-SD 3.5Å; G28-M197 VanDerWaalsContact N-SD 3.4Å |
| 29 | V | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -52.5 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | G20 E25 L26 R33 L54 V60 | G20-V29 VanDerWaalsContact CA-CG2 3.49Å; E25-V29 WeakPolarHBondContact O-CG2 3.17Å; L26-V29 PolarHBondContact O-N 2.79Å; V29-R33 WeakPolarHBondContact O-CG 3.32Å; V29-R33 PolarHBondContact O-N 3.42Å; V29-R33 VanDerWaalsContact O-N 3.1Å; V29-L54 HydrophobicContact CG1-CD2 4.38Å; V29-V60 HydrophobicContact CG1-CG1 3.68Å; V29-V60 HydrophobicContact CG1-CG2 4.47Å; V29-V60 HydrophobicContact CG2-CG1 4.4Å; V29-V60 HydrophobicContact CG2-CG2 3.78Å |
| 30 | Y | 98.6 | Very high | 94.8 | Very high | 108 Ų | 108 | 41.1 Ų | 41.1 | 42% | 0.424 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -72.7 | -33.4 | -177.8 | -77.5 | -70.2 | 0 | 0 | 0 | 112.3 | L26 R33 E34 V189 | L26-Y30 HydrophobicContact CB-CD2 4.01Å; L26-Y30 HydrophobicContact CB-CE2 4.08Å; L26-Y30 HydrophobicContact CD1-CE2 4.17Å; L26-Y30 HydrophobicContact CG-CE2 4.49Å; L26-Y30 VanDerWaalsContact O-CD2 3.26Å; L26-Y30 WeakPolarHBondContact O-CD2 3.49Å; L26-Y30 PolarHBondContact O-N 3.13Å; Y30-R33 PolarHBondContact O-N 2.76Å; Y30-E34 WeakPolarHBondContact O-CB 3.48Å; Y30-E34 PolarHBondContact O-N 2.88Å; Y30-V189 HydrophobicContact CD2-CG2 3.57Å; Y30-V189 HydrophobicContact CE2-CG2 3.7Å |
| 31 | L | 98.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 176.2 | 179.1 | 56 | 0 | 0 | 0 | 110.9 | S27 G28 R33 E34 M35 L117 Y194 M197 R198 V201 | S27-L31 VanDerWaalsContact O-CB 3.27Å; S27-L31 WeakPolarHBondContact O-CB 3.4Å; S27-L31 PolarHBondContact O-N 3.44Å; G28-L31 PolarHBondContact O-N 2.84Å; L31-R33 PolarHBondContact O-N 2.93Å; L31-E34 PolarHBondContact O-N 3.35Å; L31-M35 HydrophobicContact CD1-CG 4.06Å; L31-M35 VanDerWaalsContact O-CG 3.28Å; L31-M35 WeakPolarHBondContact O-CG 3.37Å; L31-M35 PolarHBondContact O-N 2.94Å; L31-L117 HydrophobicContact CD2-CD1 3.83Å; L31-L117 HydrophobicContact CG-CD1 4.45Å; L31-Y194 HydrophobicContact CB-CE2 3.93Å; L31-M197 HydrophobicContact CD2-CG 4.19Å; L31-R198 HydrophobicContact CD1-CB 4Å; L31-R198 HydrophobicContact CD1-CG 3.78Å; L31-R198 HydrophobicContact CD2-CB 4.34Å; L31-V201 HydrophobicContact CD2-CB 4.21Å; L31-V201 HydrophobicContact CD2-CG2 3.84Å |
| 32 | V | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.6 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | G28 E34 M35 L36 M52 L54 | G28-V32 WeakPolarHBondContact O-CG2 3.48Å; G28-V32 PolarHBondContact O-N 3.34Å; V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 PolarHBondContact O-N 2.75Å; V32-M35 PolarHBondContact O-N 2.81Å; V32-L36 HydrophobicContact CG1-CD1 3.71Å; V32-L36 HydrophobicContact CG1-CG 4.31Å; V32-L36 WeakPolarHBondContact O-CB 3.45Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.22Å; V32-L36 PolarHBondContact O-N 2.95Å; V32-M52 HydrophobicContact CB-CE 4.42Å; V32-M52 HydrophobicContact CG1-CB 4.39Å; V32-M52 HydrophobicContact CG2-CE 3.94Å; V32-L54 HydrophobicContact CB-CD2 3.97Å; V32-L54 HydrophobicContact CB-CG 4.49Å; V32-L54 HydrophobicContact CG1-CD2 3.8Å; V32-L54 HydrophobicContact CG1-CG 3.77Å |
| 33 | R | 96.9 | Very high | 89 | Confident | 102 Ų | 102 | 65.3 Ų | 65.3 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 178.1 | -77.1 | 174.8 | 171.5 | 167.8 | -2.3 | 112.2 | V29 Y30 L31 L36 L54 V60 | V29-R33 WeakPolarHBondContact O-CG 3.32Å; V29-R33 PolarHBondContact O-N 3.42Å; V29-R33 VanDerWaalsContact O-N 3.1Å; Y30-R33 PolarHBondContact O-N 2.76Å; L31-R33 PolarHBondContact O-N 2.93Å; R33-L36 PolarHBondContact O-N 3.2Å; R33-L54 HydrophobicContact CG-CD1 4.21Å; R33-V60 VanDerWaalsContact NH2-CG1 3.29Å |
| 34 | E | 95.6 | Very high | 86.7 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 178.5 | -171.8 | 58.8 | -145.6 | 0 | 0 | 110.8 | Y30 L31 V32 L36 K37 N40 | Y30-E34 WeakPolarHBondContact O-CB 3.48Å; Y30-E34 PolarHBondContact O-N 2.88Å; L31-E34 PolarHBondContact O-N 3.35Å; V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 PolarHBondContact O-N 2.75Å; E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 2.88Å; E34-K37 VanDerWaalsContact CD-NZ 3.26Å; E34-K37 WeakPolarHBondContact O-CB 3.37Å; E34-K37 WeakPolarHBondContact O-CG 3.39Å; E34-K37 PolarHBondContact O-N 2.87Å; E34-K37 IonicContact OE1-NZ 3.1Å; E34-K37 PolarHBondContact OE1-NZ 3.05Å; E34-K37 VanDerWaalsContact OE1-NZ 3.1Å; E34-K37 WeakPolarHBondContact OE2-CE 3.18Å; E34-K37 IonicContact OE2-NZ 2.64Å; E34-K37 PolarHBondContact OE2-NZ 2.92Å; E34-N40 PolarHBondContact O-ND2 3.45Å; E34-N40 PolarHBondContact OE1-ND2 2.85Å |
| 35 | M | 92.3 | Very high | 84.2 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.6 | -23 | -178.7 | -64.9 | -58.5 | -65.8 | 0 | 0 | 113.6 | L31 V32 K37 M52 | L31-M35 HydrophobicContact CD1-CG 4.06Å; L31-M35 VanDerWaalsContact O-CG 3.28Å; L31-M35 WeakPolarHBondContact O-CG 3.37Å; L31-M35 PolarHBondContact O-N 2.94Å; V32-M35 PolarHBondContact O-N 2.81Å; M35-K37 VanDerWaalsContact C-N 3.33Å; M35-M52 HydrophobicContact CB-CE 3.79Å; M35-M52 HydrophobicContact CB-CG 3.85Å; M35-M52 HydrophobicContact CB-SD 4.18Å; M35-M52 HydrophobicContact CG-CE 3.88Å; M35-M52 HydrophobicContact CG-SD 4.47Å |
| 36 | L | 91.1 | Very high | 82 | Confident | 63 Ų | 63 | 73.5 Ų | 73.5 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -10.9 | 175.9 | -75.3 | 173.4 | 0 | 0 | 0 | 113.9 | V32 R33 E34 R41 M52 | V32-L36 HydrophobicContact CG1-CD1 3.71Å; V32-L36 HydrophobicContact CG1-CG 4.31Å; V32-L36 WeakPolarHBondContact O-CB 3.45Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.22Å; V32-L36 PolarHBondContact O-N 2.95Å; R33-L36 PolarHBondContact O-N 3.2Å; E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 2.88Å; L36-R41 PolarHBondContact O-NE 2.9Å; L36-R41 PolarHBondContact O-NH2 2.81Å; L36-M52 HydrophobicContact CD2-CB 3.91Å; L36-M52 HydrophobicContact CG-CB 4.04Å |
| 37 | K | 90.3 | Very high | 79.8 | Confident | 82 Ų | 82 | 75.2 Ų | 75.2 | 36% | 0.357 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -61.3 | 143 | 175.6 | -70.7 | 177.4 | 177.1 | 173 | 0 | 110.8 | E34 M35 E39 N40 R41 | E34-K37 VanDerWaalsContact CD-NZ 3.26Å; E34-K37 WeakPolarHBondContact O-CB 3.37Å; E34-K37 WeakPolarHBondContact O-CG 3.39Å; E34-K37 PolarHBondContact O-N 2.87Å; E34-K37 IonicContact OE1-NZ 3.1Å; E34-K37 PolarHBondContact OE1-NZ 3.05Å; E34-K37 VanDerWaalsContact OE1-NZ 3.1Å; E34-K37 WeakPolarHBondContact OE2-CE 3.18Å; E34-K37 IonicContact OE2-NZ 2.64Å; E34-K37 PolarHBondContact OE2-NZ 2.92Å; M35-K37 VanDerWaalsContact C-N 3.33Å; K37-E39 PolarHBondContact O-N 3.42Å; K37-E39 VanDerWaalsContact O-N 3.11Å; K37-N40 PolarHBondContact O-N 2.99Å; K37-R41 PolarHBondContact O-N 3.04Å |
| 38 | P | 82.7 | Confident | 78 | Confident | 105 Ų | 105 | 76.2 Ų | 76.2 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -52.9 | -36.3 | -178.9 | -26.7 | 34.7 | 0 | 0 | 0 | 114 | N40 R41 | P38-N40 VanDerWaalsContact C-N 3.26Å; P38-N40 PolarHBondContact O-N 3.02Å; P38-R41 PolarHBondContact O-N 2.7Å |
| 39 | E | 81.9 | Confident | 77.1 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 79% | 0.794 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -64.2 | -29.9 | -178.8 | -45.2 | 179 | -118.4 | 0 | 0 | 112.8 | K37 | K37-E39 PolarHBondContact O-N 3.42Å; K37-E39 VanDerWaalsContact O-N 3.11Å |
| 40 | N | 76.9 | Confident | 76.6 | Confident | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.332 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -97.4 | -9.7 | -178.6 | -67.5 | -38.6 | 0 | 0 | 0 | 112.6 | E34 K37 P38 K42 | E34-N40 PolarHBondContact O-ND2 3.45Å; E34-N40 PolarHBondContact OE1-ND2 2.85Å; K37-N40 PolarHBondContact O-N 2.99Å; P38-N40 VanDerWaalsContact C-N 3.26Å; P38-N40 PolarHBondContact O-N 3.02Å; N40-K42 VanDerWaalsContact C-N 3.25Å; N40-K42 PolarHBondContact O-N 2.81Å |
| 41 | R | 67.3 | Low | 76.4 | Confident | 163 Ų | 163 | 79 Ų | 79 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | trans | -73.5 | 83.7 | 169.8 | -65.4 | -179.4 | -168.6 | -166.6 | -0.8 | 108.1 | L36 K37 P38 E43 | L36-R41 PolarHBondContact O-NE 2.9Å; L36-R41 PolarHBondContact O-NH2 2.81Å; K37-R41 PolarHBondContact O-N 3.04Å; P38-R41 PolarHBondContact O-N 2.7Å; R41-E43 PolarHBondContact O-N 3.15Å | ||
| 42 | K | 57 | Low | 76.2 | Confident | 155 Ų | 155 | 79.8 Ų | 79.8 | 67% | 0.674 | 43% | 0.425 | S | S | * | . | trans | -56.1 | 135.8 | 163.2 | -68.2 | -174.9 | 172.7 | 179.6 | 0 | 107.4 | N40 D44 | N40-K42 VanDerWaalsContact C-N 3.25Å; N40-K42 PolarHBondContact O-N 2.81Å; K42-D44 PolarHBondContact O-N 2.99Å | ||
| 43 | E | 51.3 | Low | 76.2 | Confident | 195 Ų | 195 | 81 Ų | 81 | 91% | 0.911 | 43% | 0.431 | S | S | * | . | trans | -52.5 | 114.6 | 163 | -74.1 | -178.9 | 165.2 | 0 | 0 | 106.4 | R41 G45 | R41-E43 PolarHBondContact O-N 3.15Å; E43-G45 PolarHBondContact O-N 3.36Å | ||
| 44 | D | 50.3 | Low | 76.2 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 43% | 0.433 | 42% | 0.422 | S | S | . | . | trans | -73.8 | 70.4 | -167.7 | -145.1 | 18.1 | 0 | 0 | 0 | 108.7 | K42 G46 | K42-D44 PolarHBondContact O-N 2.99Å; D44-G46 VanDerWaalsContact C-N 3.27Å | ||
| 45 | G | 46.3 | Very low | 76.4 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 81% | 0.814 | 41% | 0.407 | S | S | * | . | trans | -89.2 | 7.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | E43 | E43-G45 PolarHBondContact O-N 3.36Š| ||
| 46 | G | 53.1 | Low | 76.7 | Confident | 42 Ų | 42 | 72.3 Ų | 72.3 | 43% | 0.433 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -81.8 | 158.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D44 A48 | D44-G46 VanDerWaalsContact C-N 3.27Å; G46-A48 PolarHBondContact O-N 2.93Å; G46-A48 VanDerWaalsContact O-N 3.08Å |
| 47 | P | 52.8 | Low | 77.1 | Confident | 53 Ų | 53 | 72 Ų | 72 | 34% | 0.344 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -67.8 | -4.9 | -175.4 | 22.9 | -31.9 | 0 | 0 | 0 | 116.3 | N212 | P47-N212 HydrophobicContact CB-CB 4.39Š|
| 48 | A | 60.5 | Low | 77.5 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 17% | 0.174 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -136.5 | 132.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L12 G46 V208 | L12-A48 WeakPolarHBondContact O-CB 3.49Å; G46-A48 PolarHBondContact O-N 2.93Å; G46-A48 VanDerWaalsContact O-N 3.08Å; A48-V208 HydrophobicContact CB-CG1 4Å |
| 49 | S | 79.4 | Confident | 78.2 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 47% | 0.469 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 120.9 | 173.6 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | S13 V15 | S13-S49 PolarHBondContact O-N 2.92Å; V15-S49 PolarHBondContact N-O 2.94Å |
| 50 | L | 88.1 | Confident | 79 | Confident | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 107.7 | 179.1 | -176.2 | 65.9 | 0 | 0 | 0 | 110.5 | V15 V17 M52 R205 | V15-L50 HydrophobicContact CB-CD1 4.15Å; V15-L50 HydrophobicContact CG1-CD1 3.87Å; V15-L50 WeakPolarHBondContact O-CA 3.28Å; V17-L50 HydrophobicContact CG2-CD1 3.83Å; L50-M52 HydrophobicContact CD2-SD 4.25Å; L50-M52 HydrophobicContact CG-SD 4.29Å; L50-R205 HydrophobicContact CD2-CG 4.31Å |
| 51 | L | 93.8 | Very high | 80.1 | Confident | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.8 | 177 | 179.4 | 62.6 | 0 | 0 | 0 | 110.9 | V15 A16 V17 L101 L102 | V15-L51 PolarHBondContact O-N 2.8Å; A16-L51 CarbonylContact C-O 3.55Å; A16-L51 WeakPolarHBondContact CA-O 3.41Å; A16-L51 HydrophobicContact CB-CB 4.4Å; V17-L51 PolarHBondContact N-O 3.04Å; L51-L101 HydrophobicContact CD2-CD2 4.45Å; L51-L101 HydrophobicContact CD2-CG 4.46Å; L51-L102 HydrophobicContact CD2-CD2 3.65Å |
| 52 | M | 95.6 | Very high | 81.5 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.8 | 169.7 | -57.7 | -60.7 | -58.3 | 0 | 0 | 110 | V17 V32 M35 L36 L50 | V17-M52 HydrophobicContact CB-CE 3.88Å; V17-M52 HydrophobicContact CB-SD 3.72Å; V17-M52 HydrophobicContact CG1-CE 3.67Å; V17-M52 HydrophobicContact CG1-SD 4.19Å; V17-M52 HydrophobicContact CG2-SD 4.26Å; V32-M52 HydrophobicContact CB-CE 4.42Å; V32-M52 HydrophobicContact CG1-CB 4.39Å; V32-M52 HydrophobicContact CG2-CE 3.94Å; M35-M52 HydrophobicContact CB-CE 3.79Å; M35-M52 HydrophobicContact CB-CG 3.85Å; M35-M52 HydrophobicContact CB-SD 4.18Å; M35-M52 HydrophobicContact CG-CE 3.88Å; M35-M52 HydrophobicContact CG-SD 4.47Å; L36-M52 HydrophobicContact CD2-CB 3.91Å; L36-M52 HydrophobicContact CG-CB 4.04Å; L50-M52 HydrophobicContact CD2-SD 4.25Å; L50-M52 HydrophobicContact CG-SD 4.29Å |
| 53 | L | 96.7 | Very high | 83.5 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 134 | -173.1 | -174.6 | 66.5 | 0 | 0 | 0 | 113.3 | V17 C18 G19 L98 L101 L102 | V17-L53 PolarHBondContact O-N 3.02Å; C18-L53 WeakPolarHBondContact CA-O 3.42Å; G19-L53 PolarHBondContact N-O 2.87Å; L53-L98 HydrophobicContact CD2-CD2 3.37Å; L53-L98 HydrophobicContact CG-CD2 4.31Å; L53-L101 HydrophobicContact CD1-CD2 4.02Å; L53-L101 HydrophobicContact CD2-CD2 3.98Å; L53-L102 HydrophobicContact CD2-CD1 4Å; L53-L102 HydrophobicContact CD2-CD2 4.45Å; L53-L102 HydrophobicContact CD2-CG 4.44Å |
| 54 | L | 98.3 | Very high | 85.8 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 115 | 163.9 | -73.4 | 178.2 | 0 | 0 | 0 | 110 | G19 V29 V32 R33 R94 | G19-L54 WeakPolarHBondContact O-CA 3.32Å; V29-L54 HydrophobicContact CG1-CD2 4.38Å; V32-L54 HydrophobicContact CB-CD2 3.97Å; V32-L54 HydrophobicContact CB-CG 4.49Å; V32-L54 HydrophobicContact CG1-CD2 3.8Å; V32-L54 HydrophobicContact CG1-CG 3.77Å; R33-L54 HydrophobicContact CG-CD1 4.21Å; L54-R94 PolarHBondContact O-NH2 3.3Å |
| 55 | S | 98.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -75.8 | -44.9 | -170.7 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | C18 G19 T21 P57 R94 L169 | C18-S55 WeakPolarHBondContact CB-OG 3.23Å; G19-S55 PolarHBondContact O-N 2.87Å; T21-S55 WeakPolarHBondContact OG1-CB 3.47Å; T21-S55 PolarHBondContact OG1-OG 2.84Å; T21-S55 VanDerWaalsContact OG1-OG 3.04Å; S55-P57 WeakPolarHBondContact O-CD 3.35Å; S55-R94 WeakPolarHBondContact O-CG 3.32Å; S55-R94 PolarHBondContact O-NE 2.83Å; S55-R94 PolarHBondContact O-NH2 3.21Å; S55-L169 WeakPolarHBondContact OG-CD2 3.38Å |
| 56 | N | 98.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -122.5 | 78.6 | 178.9 | -166.8 | -28.5 | 0 | 0 | 0 | 112 | G20 R58 A59 V60 L71 Y90 E91 | G20-N56 WeakPolarHBondContact O-CA 3.07Å; G20-N56 WeakPolarHBondContact O-CB 3.21Å; G20-N56 PolarHBondContact O-N 2.7Å; N56-R58 VanDerWaalsContact C-N 3.3Å; N56-R58 PolarHBondContact O-N 3.38Å; N56-A59 HydrophobicContact CB-CB 4.11Å; N56-A59 WeakPolarHBondContact ND2-CB 3.49Å; N56-A59 PolarHBondContact O-N 3.03Å; N56-A59 VanDerWaalsContact OD1-CB 3.22Å; N56-A59 WeakPolarHBondContact OD1-CB 3.02Å; N56-A59 PolarHBondContact OD1-N 3.03Å; N56-V60 WeakPolarHBondContact O-CB 3.49Å; N56-V60 WeakPolarHBondContact O-CG2 3.42Å; N56-V60 PolarHBondContact O-N 3.37Å; N56-L71 HydrophobicContact CB-CD2 3.75Å; N56-Y90 VanDerWaalsContact OD1-CE1 3.3Å; N56-Y90 WeakPolarHBondContact OD1-CE1 3.44Å; N56-E91 WeakPolarHBondContact ND2-CG 3.31Å; N56-E91 PolarHBondContact ND2-OE1 2.86Å | ||
| 57 | P | 98.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.7 | -35.2 | -175.8 | -26.5 | 35.1 | 0 | 0 | 0 | 114.7 | S55 Q61 | S55-P57 WeakPolarHBondContact O-CD 3.35Å; P57-Q61 WeakPolarHBondContact O-CB 3.06Å; P57-Q61 PolarHBondContact O-N 3Å |
| 58 | R | 98.7 | Very high | 94.9 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.6 | -45.2 | -179.2 | -65.4 | -172.1 | -175.4 | 177.9 | 0.4 | 111.8 | N56 V60 Q61 Q62 V67 Y90 | N56-R58 VanDerWaalsContact C-N 3.3Å; N56-R58 PolarHBondContact O-N 3.38Å; R58-V60 VanDerWaalsContact C-N 3.31Å; R58-V60 PolarHBondContact O-N 2.88Å; R58-Q61 PolarHBondContact O-N 2.84Å; R58-Q62 WeakPolarHBondContact O-CG 3.31Å; R58-Q62 PolarHBondContact O-N 2.82Å; R58-V67 HydrophobicContact CB-CG2 3.67Å; R58-Y90 HydrophobicContact CB-CD1 4.28Å; R58-Y90 HydrophobicContact CB-CE1 3.64Å; R58-Y90 HydrophobicContact CG-CE1 3.87Å; R58-Y90 HydrophobicContact CG-CE2 4.01Å |
| 59 | A | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N56 Q61 Q62 C63 T64 V67 | N56-A59 HydrophobicContact CB-CB 4.11Å; N56-A59 WeakPolarHBondContact ND2-CB 3.49Å; N56-A59 PolarHBondContact O-N 3.03Å; N56-A59 VanDerWaalsContact OD1-CB 3.22Å; N56-A59 WeakPolarHBondContact OD1-CB 3.02Å; N56-A59 PolarHBondContact OD1-N 3.03Å; A59-Q61 VanDerWaalsContact C-N 3.33Å; A59-Q61 PolarHBondContact O-N 2.9Å; A59-Q62 CarbonylContact O-C 3.53Å; A59-Q62 PolarHBondContact O-N 3.23Å; A59-Q62 VanDerWaalsContact O-N 3.15Å; A59-C63 PolarHBondContact O-N 2.87Å; A59-T64 PolarHBondContact O-N 2.96Å; A59-T64 VanDerWaalsContact O-N 3.1Å; A59-V67 HydrophobicContact CB-CG2 4.31Å |
| 60 | V | 98.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 174.4 | 167.5 | 0 | 0 | 0 | 0 | 111.7 | V29 R33 N56 R58 Q62 C63 | V29-V60 HydrophobicContact CG1-CG1 3.68Å; V29-V60 HydrophobicContact CG1-CG2 4.47Å; V29-V60 HydrophobicContact CG2-CG1 4.4Å; V29-V60 HydrophobicContact CG2-CG2 3.78Å; R33-V60 VanDerWaalsContact NH2-CG1 3.29Å; N56-V60 WeakPolarHBondContact O-CB 3.49Å; N56-V60 WeakPolarHBondContact O-CG2 3.42Å; N56-V60 PolarHBondContact O-N 3.37Å; R58-V60 VanDerWaalsContact C-N 3.31Å; R58-V60 PolarHBondContact O-N 2.88Å; V60-Q62 VanDerWaalsContact C-N 3.26Å; V60-Q62 PolarHBondContact O-N 3.3Å; V60-C63 PolarHBondContact O-N 2.79Å |
| 61 | Q | 98.6 | Very high | 98.1 | Very high | 166 Ų | 166 | 48.1 Ų | 48.1 | 78% | 0.776 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.3 | -34.6 | 177.3 | -174.8 | 177.5 | 20.8 | 0 | 0 | 112.1 | P57 R58 A59 | P57-Q61 WeakPolarHBondContact O-CB 3.06Å; P57-Q61 PolarHBondContact O-N 3Å; R58-Q61 PolarHBondContact O-N 2.84Å; A59-Q61 VanDerWaalsContact C-N 3.33Å; A59-Q61 PolarHBondContact O-N 2.9Å |
| 62 | Q | 98.4 | Very high | 98.3 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -88.3 | -7.3 | -179.4 | -62.4 | 176.8 | 30.6 | 0 | 0 | 113.1 | R58 A59 V60 T64 | R58-Q62 WeakPolarHBondContact O-CG 3.31Å; R58-Q62 PolarHBondContact O-N 2.82Å; A59-Q62 CarbonylContact O-C 3.53Å; A59-Q62 PolarHBondContact O-N 3.23Å; A59-Q62 VanDerWaalsContact O-N 3.15Å; V60-Q62 VanDerWaalsContact C-N 3.26Å; V60-Q62 PolarHBondContact O-N 3.3Å; Q62-T64 HydrophobicContact CB-CG2 3.97Å; Q62-T64 PolarHBondContact O-N 2.92Å |
| 63 | C | 98.6 | Very high | 98.4 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.4 | -170.1 | -159.7 | 0 | 0 | 0 | 0 | 111.9 | N24 A59 V60 | N24-C63 WeakPolarHBondContact CB-O 3.44Å; A59-C63 PolarHBondContact O-N 2.87Å; V60-C63 PolarHBondContact O-N 2.79Å |
| 64 | T | 98.7 | Very high | 98.4 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -114.8 | 160.8 | 175.5 | 60 | 0 | 0 | 0 | 0 | 110.1 | G23 N24 A59 Q62 Y66 | G23-T64 CarbonylContact C-O 3.56Å; G23-T64 WeakPolarHBondContact CA-O 3.46Å; G23-T64 PolarHBondContact N-O 3.14Å; N24-T64 PolarHBondContact N-O 3.23Å; N24-T64 VanDerWaalsContact N-O 3.11Å; A59-T64 PolarHBondContact O-N 2.96Å; A59-T64 VanDerWaalsContact O-N 3.1Å; Q62-T64 HydrophobicContact CB-CG2 3.97Å; Q62-T64 PolarHBondContact O-N 2.92Å; T64-Y66 VanDerWaalsContact C-N 3.35Å; T64-Y66 PolarHBondContact OG1-O 3.43Å |
| 65 | R | 98.7 | Very high | 98.4 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -60.2 | -47.7 | 177.2 | -172.5 | -178.5 | 172 | 67 | 6.7 | 111.1 | H22 G23 N24 E25 D70 | H22-R65 VanDerWaalsContact CA-O 3.24Å; H22-R65 WeakPolarHBondContact CA-O 3.34Å; H22-R65 HydrophobicContact CB-CG 3.92Å; H22-R65 VanDerWaalsContact CD2-CZ 3.42Å; H22-R65 PolarHBondContact CD2-NH2 2.94Å; H22-R65 PolarHBondContact CE1-NH1 3.19Å; H22-R65 PolarHBondContact CE1-NH2 3.08Å; H22-R65 VanDerWaalsContact CG-NH1 3.28Å; H22-R65 PolarHBondContact ND1-NH1 3.48Å; H22-R65 VanDerWaalsContact ND1-NH1 3.19Å; H22-R65 PolarHBondContact NE2-NH2 3.22Å; G23-R65 PolarHBondContact N-O 2.9Å; G23-R65 VanDerWaalsContact N-O 3.11Å; N24-R65 PolarHBondContact ND2-N 3.47Å; N24-R65 VanDerWaalsContact OD1-CA 3.29Å; N24-R65 WeakPolarHBondContact OD1-CA 3.3Å; E25-R65 IonicContact OE1-NH1 2.9Å; E25-R65 PolarHBondContact OE1-NH1 3.04Å; R65-D70 IonicContact CZ-OD2 2.87Å; R65-D70 IonicContact NE-OD2 2.71Å; R65-D70 PolarHBondContact NE-OD2 3.14Å; R65-D70 VanDerWaalsContact NE-OD2 3.12Å; R65-D70 IonicContact NH2-OD1 2.93Å; R65-D70 IonicContact NH2-OD2 3.36Å; R65-D70 PolarHBondContact NH2-OD2 3.02Å |
| 66 | Y | 98.7 | Very high | 98.2 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | trans | -150.4 | 173.6 | 175.8 | 54 | -103.3 | 0 | 0 | 0 | 109.8 | T64 T69 D70 E293 | T64-Y66 VanDerWaalsContact C-N 3.35Å; T64-Y66 PolarHBondContact OG1-O 3.43Å; Y66-T69 WeakPolarHBondContact CB-O 3.34Å; Y66-T69 VanDerWaalsContact CG-C 3.43Å; Y66-D70 HydrophobicContact CD1-CB 3.94Å; Y66-D70 HydrophobicContact CE1-CB 4.08Å; Y66-E293 PolarHBondContact OH-OE1 2.95Å; Y66-E293 PolarHBondContact OH-OE2 3.03Å | ||
| 67 | V | 98.4 | Very high | 98 | Very high | 45 Ų | 45 | 50 Ų | 50 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -91.2 | -61.8 | 173.6 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | R58 A59 Y90 E91 | R58-V67 HydrophobicContact CB-CG2 3.67Å; A59-V67 HydrophobicContact CB-CG2 4.31Å; V67-Y90 HydrophobicContact CB-CD1 4.06Å; V67-Y90 HydrophobicContact CG2-CD1 3.99Å; V67-Y90 HydrophobicContact CG2-CE1 4.31Å; V67-E91 PolarHBondContact N-OE1 2.78Å |
| 68 | D | 97.9 | Very high | 97.7 | Very high | 94 Ų | 94 | 51.1 Ų | 51.1 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -111.2 | -42.7 | -174.8 | -62.3 | -37.8 | 0 | 0 | 0 | 112.1 | P89 Y90 E91 | D68-P89 HydrophobicContact CB-CB 3.69Å; D68-Y90 WeakPolarHBondContact OD2-CB 3.43Å; D68-Y90 PolarHBondContact OD2-N 2.62Å; D68-E91 PolarHBondContact N-OE2 3.47Å |
| 69 | T | 97.8 | Very high | 97.4 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 30% | 0.301 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -149.2 | 162.9 | 177.6 | -164.1 | 0 | 0 | 0 | 0 | 112.2 | Y66 L71 P89 E91 | Y66-T69 WeakPolarHBondContact CB-O 3.34Å; Y66-T69 VanDerWaalsContact CG-C 3.43Å; T69-L71 PolarHBondContact O-N 3.23Å; T69-P89 HydrophobicContact CG2-CB 3.62Å; T69-P89 HydrophobicContact CG2-CG 4.18Å; T69-E91 HydrophobicContact CG2-CB 3.88Å; T69-E91 PolarHBondContact N-OE2 3.37Å; T69-E91 WeakPolarHBondContact O-CB 3.46Å; T69-E91 WeakPolarHBondContact O-CG 3.4Å |
| 70 | D | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | trans | -65.3 | 107.1 | -177.4 | -166.7 | -37.8 | 0 | 0 | 0 | 111.1 | H22 R65 Y66 N72 R73 C74 K294 | H22-D70 IonicContact CD2-OD1 3.59Å; H22-D70 IonicContact NE2-OD1 3.63Å; H22-D70 PolarHBondContact NE2-OD1 3.1Å; R65-D70 IonicContact CZ-OD2 2.87Å; R65-D70 IonicContact NE-OD2 2.71Å; R65-D70 PolarHBondContact NE-OD2 3.14Å; R65-D70 VanDerWaalsContact NE-OD2 3.12Å; R65-D70 IonicContact NH2-OD1 2.93Å; R65-D70 IonicContact NH2-OD2 3.36Å; R65-D70 PolarHBondContact NH2-OD2 3.02Å; Y66-D70 HydrophobicContact CD1-CB 3.94Å; Y66-D70 HydrophobicContact CE1-CB 4.08Å; D70-N72 PolarHBondContact O-N 2.89Å; D70-N72 VanDerWaalsContact O-N 3.13Å; D70-N72 PolarHBondContact OD1-N 2.9Å; D70-R73 HydrophobicContact CB-CB 4.43Å; D70-R73 HydrophobicContact CB-CG 3.95Å; D70-R73 WeakPolarHBondContact O-CB 3.22Å; D70-R73 PolarHBondContact O-N 3.09Å; D70-C74 PolarHBondContact O-SG 3.36Å; D70-C74 VanDerWaalsContact O-SG 3.41Å; D70-K294 WeakPolarHBondContact OD2-CE 3.47Å; D70-K294 IonicContact OD2-NZ 3.2Å; D70-K294 PolarHBondContact OD2-NZ 2.97Å | ||
| 71 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -53 | -38.1 | -179.2 | -178.5 | 59.7 | 0 | 0 | 0 | 111.4 | T21 N56 T69 R73 C74 F75 E91 R94 A95 L98 | T21-L71 HydrophobicContact CG2-CB 4.5Å; T21-L71 HydrophobicContact CG2-CD2 4.31Å; T21-L71 HydrophobicContact CG2-CG 4.42Å; N56-L71 HydrophobicContact CB-CD2 3.75Å; T69-L71 PolarHBondContact O-N 3.23Å; L71-R73 PolarHBondContact O-N 3.11Å; L71-C74 WeakPolarHBondContact O-CB 3.45Å; L71-C74 PolarHBondContact O-N 2.74Å; L71-F75 HydrophobicContact CD1-CE2 4.06Å; L71-F75 HydrophobicContact CD1-CZ 3.9Å; L71-F75 HydrophobicContact CG-CE2 3.97Å; L71-F75 HydrophobicContact CG-CZ 4.09Å; L71-F75 WeakPolarHBondContact O-CD2 3Å; L71-F75 WeakPolarHBondContact O-CE2 3.45Å; L71-E91 HydrophobicContact CB-CB 4.13Å; L71-E91 HydrophobicContact CB-CG 3.71Å; L71-E91 HydrophobicContact CD1-CB 3.91Å; L71-E91 HydrophobicContact CD1-CG 4.17Å; L71-E91 VanDerWaalsContact CD1-O 3.32Å; L71-E91 WeakPolarHBondContact CD1-O 3.28Å; L71-E91 HydrophobicContact CG-CG 4.47Å; L71-R94 HydrophobicContact CD1-CB 4.22Å; L71-R94 HydrophobicContact CD1-CG 4.24Å; L71-R94 HydrophobicContact CD2-CG 4.3Å; L71-A95 HydrophobicContact CD1-CB 4.07Å; L71-L98 HydrophobicContact CD2-CD1 4.1Å |
| 72 | N | 98.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -77.2 | 17.1 | -178.3 | -147.7 | 30.2 | 0 | 0 | 0 | 113.1 | T21 H22 D70 H118 Y167 S168 L169 | T21-N72 HydrophobicContact CG2-CB 3.81Å; H22-N72 WeakPolarHBondContact NE2-CB 3.38Å; D70-N72 PolarHBondContact O-N 2.89Å; D70-N72 VanDerWaalsContact O-N 3.13Å; D70-N72 PolarHBondContact OD1-N 2.9Å; N72-H118 PolarHBondContact ND2-CE1 2.83Å; N72-Y167 CarbonylContact C-O 3.46Å; N72-Y167 VanDerWaalsContact O-CD2 3.27Å; N72-Y167 WeakPolarHBondContact O-CD2 3.39Å; N72-S168 WeakPolarHBondContact OD1-CA 3.43Å; N72-S168 WeakPolarHBondContact OD1-CB 3.09Å; N72-L169 PolarHBondContact OD1-N 2.96Å |
| 73 | R | 97.5 | Very high | 95.4 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 28% | 0.279 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -121.3 | 1.9 | 167.8 | -58.5 | -63.2 | 179.6 | -81.2 | -0.6 | 112.4 | D70 L71 Y167 | D70-R73 HydrophobicContact CB-CB 4.43Å; D70-R73 HydrophobicContact CB-CG 3.95Å; D70-R73 WeakPolarHBondContact O-CB 3.22Å; D70-R73 PolarHBondContact O-N 3.09Å; L71-R73 PolarHBondContact O-N 3.11Å; R73-Y167 CarbonylContact C-O 3.53Å; R73-Y167 WeakPolarHBondContact CA-O 3.28Å |
| 74 | C | 97.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | trans | -97.1 | 6.5 | -171.8 | -62.5 | 0 | 0 | 0 | 0 | 114.8 | D70 L71 T79 A95 Y167 | D70-C74 PolarHBondContact O-SG 3.36Å; D70-C74 VanDerWaalsContact O-SG 3.41Å; L71-C74 WeakPolarHBondContact O-CB 3.45Å; L71-C74 PolarHBondContact O-N 2.74Å; C74-T79 HydrophobicContact CB-CG2 4.21Å; C74-T79 WeakPolarHBondContact O-CB 3.44Å; C74-T79 WeakPolarHBondContact O-CG2 3.38Å; C74-A95 HydrophobicContact CB-CB 3.58Å; C74-Y167 PolarHBondContact N-O 2.89Å | ||
| 75 | F | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -103.4 | 17.9 | -172.6 | -60.1 | -83.3 | 0 | 0 | 0 | 115.1 | L71 L80 A95 L98 K105 Y167 S168 L169 I172 | L71-F75 HydrophobicContact CD1-CE2 4.06Å; L71-F75 HydrophobicContact CD1-CZ 3.9Å; L71-F75 HydrophobicContact CG-CE2 3.97Å; L71-F75 HydrophobicContact CG-CZ 4.09Å; L71-F75 WeakPolarHBondContact O-CD2 3Å; L71-F75 WeakPolarHBondContact O-CE2 3.45Å; F75-L80 HydrophobicContact CD1-CD2 4.21Å; F75-A95 HydrophobicContact CD1-CB 3.99Å; F75-A95 HydrophobicContact CE1-CB 3.61Å; F75-A95 HydrophobicContact CE2-CB 4.45Å; F75-A95 HydrophobicContact CZ-CB 3.88Å; F75-L98 HydrophobicContact CE1-CB 4.08Å; F75-L98 HydrophobicContact CE1-CD1 4.23Å; F75-L98 HydrophobicContact CZ-CB 4.49Å; F75-L98 HydrophobicContact CZ-CD1 3.8Å; F75-K105 WeakPolarHBondContact O-CD 3.48Å; F75-K105 PolarHBondContact O-NZ 3.39Å; F75-Y167 WeakPolarHBondContact CB-O 3.46Å; F75-Y167 WeakPolarHBondContact CD2-O 3.46Å; F75-Y167 PolarHBondContact N-O 3.36Å; F75-S168 WeakPolarHBondContact CB-O 2.97Å; F75-S168 VanDerWaalsContact CD2-C 3.48Å; F75-L169 HydrophobicContact CD2-CB 4.16Å; F75-L169 VanDerWaalsContact CD2-N 3.33Å; F75-L169 HydrophobicContact CE1-CD1 3.78Å; F75-L169 HydrophobicContact CE2-CB 3.66Å; F75-L169 HydrophobicContact CE2-CD1 4.27Å; F75-L169 HydrophobicContact CZ-CB 3.92Å; F75-L169 HydrophobicContact CZ-CD1 3.62Å; F75-L169 HydrophobicContact CZ-CG 4.3Å; F75-I172 HydrophobicContact CD1-CD1 3.34Å; F75-I172 HydrophobicContact CD1-CG1 3.77Å; F75-I172 HydrophobicContact CE1-CD1 3.43Å; F75-I172 VanDerWaalsContact CE1-CD1 3.43Å; F75-I172 HydrophobicContact CE1-CG1 4.34Å; F75-I172 HydrophobicContact CG-CD1 4.37Å; F75-I172 HydrophobicContact CG-CG1 4.46Å; F75-I172 HydrophobicContact CZ-CD1 4.5Å | ||
| 76 | T | 95.8 | Very high | 92.4 | Very high | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -66.9 | 152.4 | 169.4 | 71.9 | 0 | 0 | 0 | 0 | 110.2 | A78 T79 L80 | T76-A78 PolarHBondContact O-N 3.05Å; T76-T79 PolarHBondContact O-N 3.04Å; T76-T79 VanDerWaalsContact O-N 3.14Å; T76-T79 PolarHBondContact OG1-N 2.95Å; T76-T79 VanDerWaalsContact OG1-N 3.16Å; T76-T79 PolarHBondContact OG1-OG1 2.91Å; T76-L80 WeakPolarHBondContact O-CG 3.39Å; T76-L80 PolarHBondContact O-N 3.03Å |
| 77 | H | 93.9 | Very high | 91.7 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 28% | 0.282 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.9 | -35.5 | 174.6 | -79.2 | -71.6 | 0 | 0 | 0 | 112.5 | L80 N81 K105 | H77-L80 PolarHBondContact O-N 3.15Å; H77-N81 VanDerWaalsContact O-CB 3.27Å; H77-N81 WeakPolarHBondContact O-CB 3.33Å; H77-N81 PolarHBondContact O-N 2.8Å; H77-K105 PolarHBondContact CE1-O 3.2Å |
| 78 | A | 92 | Very high | 91.4 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 65% | 0.653 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.6 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T76 G82 | T76-A78 PolarHBondContact O-N 3.05Å; A78-G82 VanDerWaalsContact O-CA 3.24Å; A78-G82 WeakPolarHBondContact O-CA 3.31Å; A78-G82 PolarHBondContact O-N 3.49Å |
| 79 | T | 93 | Very high | 91.3 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | C74 T76 I92 R96 | C74-T79 HydrophobicContact CB-CG2 4.21Å; C74-T79 WeakPolarHBondContact O-CB 3.44Å; C74-T79 WeakPolarHBondContact O-CG2 3.38Å; T76-T79 PolarHBondContact O-N 3.04Å; T76-T79 VanDerWaalsContact O-N 3.14Å; T76-T79 PolarHBondContact OG1-N 2.95Å; T76-T79 VanDerWaalsContact OG1-N 3.16Å; T76-T79 PolarHBondContact OG1-OG1 2.91Å; T79-I92 HydrophobicContact CG2-CB 4.47Å; T79-I92 HydrophobicContact CG2-CD1 4.41Å; T79-I92 HydrophobicContact CG2-CG1 4.12Å; T79-I92 HydrophobicContact CG2-CG2 3.92Å; T79-R96 PolarHBondContact O-NE 3.22Å; T79-R96 PolarHBondContact O-NH2 2.93Å; T79-R96 VanDerWaalsContact O-NH2 3.1Å |
| 80 | L | 94.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.4 | -38.5 | -176.5 | -66.3 | 176.1 | 0 | 0 | 0 | 113 | F75 T76 H77 A95 R96 N99 K105 | F75-L80 HydrophobicContact CD1-CD2 4.21Å; T76-L80 WeakPolarHBondContact O-CG 3.39Å; T76-L80 PolarHBondContact O-N 3.03Å; H77-L80 PolarHBondContact O-N 3.15Å; L80-A95 HydrophobicContact CD2-CB 4.11Å; L80-R96 HydrophobicContact CD2-CG 4.44Å; L80-N99 HydrophobicContact CD1-CB 4.23Å; L80-N99 HydrophobicContact CD2-CB 3.75Å; L80-K105 HydrophobicContact CD1-CB 4.03Å; L80-K105 HydrophobicContact CD1-CD 4Å |
| 81 | N | 90.8 | Very high | 91.3 | Very high | 120 Ų | 120 | 51.7 Ų | 51.7 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -101.8 | -7.5 | -176.8 | -59.9 | -25.9 | 0 | 0 | 0 | 113.7 | H77 | H77-N81 VanDerWaalsContact O-CB 3.27Å; H77-N81 WeakPolarHBondContact O-CB 3.33Å; H77-N81 PolarHBondContact O-N 2.8Å |
| 82 | G | 85.5 | Confident | 91.2 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 25% | 0.247 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -65.5 | 165.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A78 R96 | A78-G82 VanDerWaalsContact O-CA 3.24Å; A78-G82 WeakPolarHBondContact O-CA 3.31Å; A78-G82 PolarHBondContact O-N 3.49Å; G82-R96 PolarHBondContact O-NH2 2.85Å |
| 83 | P | 81.8 | Confident | 91.1 | Very high | 118 Ų | 118 | 56.8 Ų | 56.8 | 77% | 0.766 | 35% | 0.348 | S | S | * | . | trans | -59.4 | 149.3 | 178.2 | 25.1 | -32.6 | 0 | 0 | 0 | 111.2 | S85 R96 | P83-S85 PolarHBondContact O-N 3.39Å; P83-R96 PolarHBondContact O-NH2 3.49Å | ||
| 84 | A | 73.1 | Confident | 91.1 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | trans | -76.6 | 102.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108 | R96 | A84-R96 VanDerWaalsContact CA-NH1 3.34Š| ||
| 85 | S | 78 | Confident | 91.2 | Very high | 72 Ų | 72 | 54.6 Ų | 54.6 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | trans | -79.4 | 136 | 169.4 | 54.4 | 0 | 0 | 0 | 0 | 109.6 | P83 G87 A88 | P83-S85 PolarHBondContact O-N 3.39Å; S85-G87 PolarHBondContact O-N 3.13Å; S85-A88 WeakPolarHBondContact O-CB 3.29Å; S85-A88 PolarHBondContact O-N 3.12Å | ||
| 86 | E | 80.8 | Confident | 91.1 | Very high | 202 Ų | 202 | 56.6 Ų | 56.6 | 94% | 0.944 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 130.9 | 168.8 | -159.8 | 171.9 | -165.8 | 0 | 0 | 109 | ||
| 87 | G | 85.4 | Confident | 91.2 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 80% | 0.804 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 14.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S85 | S85-G87 PolarHBondContact O-N 3.13Š|
| 88 | A | 91.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | trans | -59.3 | 148.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | S85 F93 | S85-A88 WeakPolarHBondContact O-CB 3.29Å; S85-A88 PolarHBondContact O-N 3.12Å; A88-F93 HydrophobicContact CB-CD2 4.48Å; A88-F93 HydrophobicContact CB-CE2 3.72Å; A88-F93 HydrophobicContact CB-CZ 3.93Å; A88-F93 WeakPolarHBondContact O-CE2 3.49Å | ||
| 89 | P | 96.1 | Very high | 91.7 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 29% | 0.292 | 32% | 0.317 | S | S | . | . | trans | -49.3 | 141 | 172.7 | -30.5 | 34.7 | 0 | 0 | 0 | 113.1 | D68 T69 E91 I92 | D68-P89 HydrophobicContact CB-CB 3.69Å; T69-P89 HydrophobicContact CG2-CB 3.62Å; T69-P89 HydrophobicContact CG2-CG 4.18Å; P89-E91 PolarHBondContact O-N 3.32Å; P89-I92 HydrophobicContact CB-CD1 4.43Å; P89-I92 HydrophobicContact CB-CG1 4.25Å; P89-I92 HydrophobicContact CG-CD1 4.15Å; P89-I92 WeakPolarHBondContact O-CB 2.93Å; P89-I92 PolarHBondContact O-N 2.8Å | ||
| 90 | Y | 97.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 58 Ų | 58 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -49.6 | -44.5 | 177.3 | 160.9 | -112 | 0 | 0 | 0 | 112.4 | N56 R58 V67 D68 I92 F93 R94 | N56-Y90 VanDerWaalsContact OD1-CE1 3.3Å; N56-Y90 WeakPolarHBondContact OD1-CE1 3.44Å; R58-Y90 HydrophobicContact CB-CD1 4.28Å; R58-Y90 HydrophobicContact CB-CE1 3.64Å; R58-Y90 HydrophobicContact CG-CE1 3.87Å; R58-Y90 HydrophobicContact CG-CE2 4.01Å; V67-Y90 HydrophobicContact CB-CD1 4.06Å; V67-Y90 HydrophobicContact CG2-CD1 3.99Å; V67-Y90 HydrophobicContact CG2-CE1 4.31Å; D68-Y90 WeakPolarHBondContact OD2-CB 3.43Å; D68-Y90 PolarHBondContact OD2-N 2.62Å; Y90-I92 PolarHBondContact O-N 2.79Å; Y90-F93 PolarHBondContact O-N 2.71Å; Y90-F93 VanDerWaalsContact O-N 3.14Å; Y90-R94 HydrophobicContact CE2-CB 4.21Å; Y90-R94 PolarHBondContact O-N 3.28Å |
| 91 | E | 98.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.7 | -24.9 | -178.9 | -76.2 | 81.1 | -170.8 | 0 | 0 | 114.1 | N56 V67 D68 T69 L71 P89 R94 A95 | N56-E91 WeakPolarHBondContact ND2-CG 3.31Å; N56-E91 PolarHBondContact ND2-OE1 2.86Å; V67-E91 PolarHBondContact N-OE1 2.78Å; D68-E91 PolarHBondContact N-OE2 3.47Å; T69-E91 HydrophobicContact CG2-CB 3.88Å; T69-E91 PolarHBondContact N-OE2 3.37Å; T69-E91 WeakPolarHBondContact O-CB 3.46Å; T69-E91 WeakPolarHBondContact O-CG 3.4Å; L71-E91 HydrophobicContact CB-CB 4.13Å; L71-E91 HydrophobicContact CB-CG 3.71Å; L71-E91 HydrophobicContact CD1-CB 3.91Å; L71-E91 HydrophobicContact CD1-CG 4.17Å; L71-E91 VanDerWaalsContact CD1-O 3.32Å; L71-E91 WeakPolarHBondContact CD1-O 3.28Å; L71-E91 HydrophobicContact CG-CG 4.47Å; P89-E91 PolarHBondContact O-N 3.32Å; E91-R94 PolarHBondContact O-N 3.43Å; E91-A95 VanDerWaalsContact O-CB 3.3Å; E91-A95 WeakPolarHBondContact O-CB 3.4Å; E91-A95 PolarHBondContact O-N 3.06Å |
| 92 | I | 96.9 | Very high | 92.4 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.4 | -44 | 174 | -65.3 | -175 | 0 | 0 | 0 | 110.5 | T79 P89 Y90 R94 A95 R96 | T79-I92 HydrophobicContact CG2-CB 4.47Å; T79-I92 HydrophobicContact CG2-CD1 4.41Å; T79-I92 HydrophobicContact CG2-CG1 4.12Å; T79-I92 HydrophobicContact CG2-CG2 3.92Å; P89-I92 HydrophobicContact CB-CD1 4.43Å; P89-I92 HydrophobicContact CB-CG1 4.25Å; P89-I92 HydrophobicContact CG-CD1 4.15Å; P89-I92 WeakPolarHBondContact O-CB 2.93Å; P89-I92 PolarHBondContact O-N 2.8Å; Y90-I92 PolarHBondContact O-N 2.79Å; I92-R94 VanDerWaalsContact C-N 3.33Å; I92-A95 PolarHBondContact O-N 3.33Å; I92-R96 WeakPolarHBondContact O-CG 3.49Å; I92-R96 PolarHBondContact O-N 2.88Å |
| 93 | F | 96.3 | Very high | 93 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 37% | 0.368 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174 | -66.7 | -71.7 | 0 | 0 | 0 | 110.8 | A88 Y90 A95 R96 E97 | A88-F93 HydrophobicContact CB-CD2 4.48Å; A88-F93 HydrophobicContact CB-CE2 3.72Å; A88-F93 HydrophobicContact CB-CZ 3.93Å; A88-F93 WeakPolarHBondContact O-CE2 3.49Å; Y90-F93 PolarHBondContact O-N 2.71Å; Y90-F93 VanDerWaalsContact O-N 3.14Å; F93-A95 VanDerWaalsContact C-N 3.33Å; F93-A95 PolarHBondContact O-N 2.89Å; F93-R96 PolarHBondContact O-N 3.03Å; F93-R96 VanDerWaalsContact O-N 3.15Å; F93-E97 WeakPolarHBondContact O-CG 3.3Å; F93-E97 PolarHBondContact O-N 3.01Å |
| 94 | R | 97.9 | Very high | 93.6 | Very high | 33 Ų | 33 | 52.1 Ų | 52.1 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178 | -174.7 | 53.2 | 179.6 | 167 | 4.6 | 112.4 | L54 S55 L71 Y90 E91 I92 R96 E97 L98 | L54-R94 PolarHBondContact O-NH2 3.3Å; S55-R94 WeakPolarHBondContact O-CG 3.32Å; S55-R94 PolarHBondContact O-NE 2.83Å; S55-R94 PolarHBondContact O-NH2 3.21Å; L71-R94 HydrophobicContact CD1-CB 4.22Å; L71-R94 HydrophobicContact CD1-CG 4.24Å; L71-R94 HydrophobicContact CD2-CG 4.3Å; Y90-R94 HydrophobicContact CE2-CB 4.21Å; Y90-R94 PolarHBondContact O-N 3.28Å; E91-R94 PolarHBondContact O-N 3.43Å; I92-R94 VanDerWaalsContact C-N 3.33Å; R94-R96 VanDerWaalsContact C-N 3.3Å; R94-R96 PolarHBondContact O-N 3.35Å; R94-E97 WeakPolarHBondContact CD-OE2 3.49Å; R94-E97 IonicContact CZ-OE2 3.78Å; R94-E97 IonicContact NE-OE2 3.92Å; R94-E97 IonicContact NH1-OE2 2.82Å; R94-E97 PolarHBondContact NH1-OE2 2.89Å; R94-E97 WeakPolarHBondContact O-CB 3.16Å; R94-E97 PolarHBondContact O-N 3.02Å; R94-L98 HydrophobicContact CG-CD1 4.12Å; R94-L98 HydrophobicContact CG-CG 4.49Å; R94-L98 WeakPolarHBondContact O-CB 3.07Å; R94-L98 VanDerWaalsContact O-CG 3.28Å; R94-L98 WeakPolarHBondContact O-CG 3.31Å; R94-L98 PolarHBondContact O-N 2.81Å |
| 95 | A | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L71 C74 F75 L80 E91 I92 F93 L98 N99 | L71-A95 HydrophobicContact CD1-CB 4.07Å; C74-A95 HydrophobicContact CB-CB 3.58Å; F75-A95 HydrophobicContact CD1-CB 3.99Å; F75-A95 HydrophobicContact CE1-CB 3.61Å; F75-A95 HydrophobicContact CE2-CB 4.45Å; F75-A95 HydrophobicContact CZ-CB 3.88Å; L80-A95 HydrophobicContact CD2-CB 4.11Å; E91-A95 VanDerWaalsContact O-CB 3.3Å; E91-A95 WeakPolarHBondContact O-CB 3.4Å; E91-A95 PolarHBondContact O-N 3.06Å; I92-A95 PolarHBondContact O-N 3.33Å; F93-A95 VanDerWaalsContact C-N 3.33Å; F93-A95 PolarHBondContact O-N 2.89Å; A95-L98 PolarHBondContact O-N 3.43Å; A95-N99 VanDerWaalsContact O-CB 3.31Å; A95-N99 WeakPolarHBondContact O-CB 3.28Å; A95-N99 PolarHBondContact O-N 3.39Å |
| 96 | R | 97 | Very high | 95.5 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 175.2 | -68.3 | 175.3 | -176.6 | 173.7 | 1.7 | 112.5 | T79 L80 G82 P83 A84 I92 F93 R94 N99 N100 | T79-R96 PolarHBondContact O-NE 3.22Å; T79-R96 PolarHBondContact O-NH2 2.93Å; T79-R96 VanDerWaalsContact O-NH2 3.1Å; L80-R96 HydrophobicContact CD2-CG 4.44Å; G82-R96 PolarHBondContact O-NH2 2.85Å; P83-R96 PolarHBondContact O-NH2 3.49Å; A84-R96 VanDerWaalsContact CA-NH1 3.34Å; I92-R96 WeakPolarHBondContact O-CG 3.49Å; I92-R96 PolarHBondContact O-N 2.88Å; F93-R96 PolarHBondContact O-N 3.03Å; F93-R96 VanDerWaalsContact O-N 3.15Å; R94-R96 VanDerWaalsContact C-N 3.3Å; R94-R96 PolarHBondContact O-N 3.35Å; R96-N99 PolarHBondContact O-N 2.9Å; R96-N100 VanDerWaalsContact O-CG 3.28Å; R96-N100 PolarHBondContact O-N 3.14Å; R96-N100 PolarHBondContact O-ND2 3.16Å |
| 97 | E | 97.8 | Very high | 96.2 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.4 | -47.4 | 172.7 | -68.9 | 173.4 | 177.5 | 0 | 0 | 111.5 | F93 R94 N99 N100 L101 | F93-E97 WeakPolarHBondContact O-CG 3.3Å; F93-E97 PolarHBondContact O-N 3.01Å; R94-E97 WeakPolarHBondContact CD-OE2 3.49Å; R94-E97 IonicContact CZ-OE2 3.78Å; R94-E97 IonicContact NE-OE2 3.92Å; R94-E97 IonicContact NH1-OE2 2.82Å; R94-E97 PolarHBondContact NH1-OE2 2.89Å; R94-E97 WeakPolarHBondContact O-CB 3.16Å; R94-E97 PolarHBondContact O-N 3.02Å; E97-N99 VanDerWaalsContact C-N 3.33Å; E97-N99 PolarHBondContact O-N 2.93Å; E97-N100 PolarHBondContact O-N 3.47Å; E97-L101 PolarHBondContact O-N 2.7Å |
| 98 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.5 | -70 | 170.9 | 0 | 0 | 0 | 111.5 | L53 L71 F75 R94 A95 N100 L101 L102 L169 I172 | L53-L98 HydrophobicContact CD2-CD2 3.37Å; L53-L98 HydrophobicContact CG-CD2 4.31Å; L71-L98 HydrophobicContact CD2-CD1 4.1Å; F75-L98 HydrophobicContact CE1-CB 4.08Å; F75-L98 HydrophobicContact CE1-CD1 4.23Å; F75-L98 HydrophobicContact CZ-CB 4.49Å; F75-L98 HydrophobicContact CZ-CD1 3.8Å; R94-L98 HydrophobicContact CG-CD1 4.12Å; R94-L98 HydrophobicContact CG-CG 4.49Å; R94-L98 WeakPolarHBondContact O-CB 3.07Å; R94-L98 VanDerWaalsContact O-CG 3.28Å; R94-L98 WeakPolarHBondContact O-CG 3.31Å; R94-L98 PolarHBondContact O-N 2.81Å; A95-L98 PolarHBondContact O-N 3.43Å; L98-N100 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 3.23Å; L98-L101 PolarHBondContact O-N 3.43Å; L98-L102 WeakPolarHBondContact O-CB 2.99Å; L98-L102 PolarHBondContact O-N 3.35Å; L98-L169 HydrophobicContact CB-CD1 4.27Å; L98-L169 HydrophobicContact CD1-CD1 4.08Å; L98-I172 HydrophobicContact CB-CD1 4.46Å |
| 99 | N | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.4 | -32 | 175.6 | -172.5 | 55.8 | 0 | 0 | 0 | 113.1 | L80 A95 R96 E97 G103 K105 I172 | L80-N99 HydrophobicContact CD1-CB 4.23Å; L80-N99 HydrophobicContact CD2-CB 3.75Å; A95-N99 VanDerWaalsContact O-CB 3.31Å; A95-N99 WeakPolarHBondContact O-CB 3.28Å; A95-N99 PolarHBondContact O-N 3.39Å; R96-N99 PolarHBondContact O-N 2.9Å; E97-N99 VanDerWaalsContact C-N 3.33Å; E97-N99 PolarHBondContact O-N 2.93Å; N99-G103 CarbonylContact O-C 3.55Å; N99-G103 WeakPolarHBondContact O-CA 3.36Å; N99-G103 PolarHBondContact O-N 2.84Å; N99-K105 WeakPolarHBondContact OD1-CB 3.47Å; N99-K105 PolarHBondContact OD1-N 2.82Å; N99-I172 HydrophobicContact CB-CD1 4.29Å |
| 100 | N | 97.3 | Very high | 96.8 | Very high | 128 Ų | 128 | 49.1 Ų | 49.1 | 68% | 0.684 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -71.3 | -33.1 | 172.9 | -70.9 | -19.2 | 0 | 0 | 0 | 112 | R96 E97 L98 | R96-N100 VanDerWaalsContact O-CG 3.28Å; R96-N100 PolarHBondContact O-N 3.14Å; R96-N100 PolarHBondContact O-ND2 3.16Å; E97-N100 PolarHBondContact O-N 3.47Å; L98-N100 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 3.23Å |
| 101 | L | 97.5 | Very high | 96.8 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -79.3 | -45.7 | 180 | 179.1 | 62.1 | 0 | 0 | 0 | 112.8 | L51 L53 E97 L98 | L51-L101 HydrophobicContact CD2-CD2 4.45Å; L51-L101 HydrophobicContact CD2-CG 4.46Å; L53-L101 HydrophobicContact CD1-CD2 4.02Å; L53-L101 HydrophobicContact CD2-CD2 3.98Å; E97-L101 PolarHBondContact O-N 2.7Å; L98-L101 PolarHBondContact O-N 3.43Å |
| 102 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -103.5 | -23.6 | -171.3 | -57.2 | 177.7 | 0 | 0 | 0 | 112.9 | A16 L51 L53 L98 A110 V111 I114 L169 I172 | A16-L102 HydrophobicContact CB-CD2 3.83Å; L51-L102 HydrophobicContact CD2-CD2 3.65Å; L53-L102 HydrophobicContact CD2-CD1 4Å; L53-L102 HydrophobicContact CD2-CD2 4.45Å; L53-L102 HydrophobicContact CD2-CG 4.44Å; L98-L102 WeakPolarHBondContact O-CB 2.99Å; L98-L102 PolarHBondContact O-N 3.35Å; L102-A110 CarbonylContact O-C 3.54Å; L102-A110 WeakPolarHBondContact O-CA 3.32Å; L102-V111 HydrophobicContact CB-CG1 4.41Å; L102-V111 HydrophobicContact CB-CG2 4.19Å; L102-V111 HydrophobicContact CD2-CG1 4.18Å; L102-V111 WeakPolarHBondContact O-CG1 3.46Å; L102-V111 WeakPolarHBondContact O-CG2 3.39Å; L102-V111 PolarHBondContact O-N 3.08Å; L102-I114 HydrophobicContact CB-CD1 4.24Å; L102-I114 HydrophobicContact CD1-CD1 4.09Å; L102-L169 HydrophobicContact CD1-CD1 4.11Å; L102-I172 HydrophobicContact CB-CG2 4.02Å |
| 103 | G | 96.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -100.6 | -139.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | N99 A109 | N99-G103 CarbonylContact O-C 3.55Å; N99-G103 WeakPolarHBondContact O-CA 3.36Å; N99-G103 PolarHBondContact O-N 2.84Å; G103-A109 CarbonylContact O-C 3.52Å | ||
| 104 | P | 96.1 | Very high | 97 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 41% | 0.409 | 24% | 0.236 | S | C | . | . | cis | -64.7 | 139.2 | 1.1 | -23.9 | 34.4 | 0 | 0 | 0 | 113 | G106 S107 | P104-G106 PolarHBondContact O-N 2.93Å; P104-S107 WeakPolarHBondContact CD-OG 3.43Å; P104-S107 WeakPolarHBondContact O-CB 3.43Å; P104-S107 PolarHBondContact O-N 2.96Å; P104-S107 PolarHBondContact O-OG 3.14Å | ||
| 105 | K | 96.6 | Very high | 97 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 132.1 | 177.7 | 176.7 | 169.2 | 176.4 | 170.5 | 0 | 111.8 | F75 H77 L80 N99 S107 S166 S171 I172 | F75-K105 WeakPolarHBondContact O-CD 3.48Å; F75-K105 PolarHBondContact O-NZ 3.39Å; H77-K105 PolarHBondContact CE1-O 3.2Å; L80-K105 HydrophobicContact CD1-CB 4.03Å; L80-K105 HydrophobicContact CD1-CD 4Å; N99-K105 WeakPolarHBondContact OD1-CB 3.47Å; N99-K105 PolarHBondContact OD1-N 2.82Å; K105-S107 PolarHBondContact O-N 3.45Å; K105-S166 WeakPolarHBondContact CE-OG 3.48Å; K105-S166 PolarHBondContact NZ-O 3.13Å; K105-S166 PolarHBondContact NZ-OG 3.12Å; K105-S171 WeakPolarHBondContact CD-O 3.05Å; K105-S171 VanDerWaalsContact CE-O 3.31Å; K105-S171 WeakPolarHBondContact CE-O 3.36Å; K105-S171 WeakPolarHBondContact CG-O 3.39Å; K105-S171 PolarHBondContact NZ-OG 3.29Å; K105-I172 HydrophobicContact CB-CG2 4.4Å |
| 106 | G | 93.7 | Very high | 97.1 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 78% | 0.784 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 5.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P104 | P104-G106 PolarHBondContact O-N 2.93Š|
| 107 | S | 94.5 | Very high | 97.2 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -99.8 | 158.8 | 175.5 | 83.2 | 0 | 0 | 0 | 0 | 112.2 | P104 K105 A109 A110 | P104-S107 WeakPolarHBondContact CD-OG 3.43Å; P104-S107 WeakPolarHBondContact O-CB 3.43Å; P104-S107 PolarHBondContact O-N 2.96Å; P104-S107 PolarHBondContact O-OG 3.14Å; K105-S107 PolarHBondContact O-N 3.45Å; S107-A109 PolarHBondContact O-N 3.07Å; S107-A109 PolarHBondContact OG-N 2.9Å; S107-A110 WeakPolarHBondContact O-CB 3.46Å; S107-A110 PolarHBondContact O-N 3.25Å; S107-A110 PolarHBondContact OG-N 3.31Å |
| 108 | R | 94.1 | Very high | 97.2 | Very high | 237 Ų | 237 | 35 Ų | 35 | 89% | 0.894 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.3 | 172.8 | -67.2 | -175.7 | 178.3 | -176.2 | -2.3 | 113.4 | A110 K174 | R108-A110 VanDerWaalsContact C-N 3.34Å; R108-K174 WeakPolarHBondContact O-CE 3.41Å; R108-K174 PolarHBondContact O-NZ 3.24Å |
| 109 | A | 95.3 | Very high | 97.2 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -9.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R14 G103 S107 | R14-A109 PolarHBondContact NH1-O 3.06Å; G103-A109 CarbonylContact O-C 3.52Å; S107-A109 PolarHBondContact O-N 3.07Å; S107-A109 PolarHBondContact OG-N 2.9Å |
| 110 | A | 97.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -58.5 | 151.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L102 S107 R108 I172 K174 | L102-A110 CarbonylContact O-C 3.54Å; L102-A110 WeakPolarHBondContact O-CA 3.32Å; S107-A110 WeakPolarHBondContact O-CB 3.46Å; S107-A110 PolarHBondContact O-N 3.25Å; S107-A110 PolarHBondContact OG-N 3.31Å; R108-A110 VanDerWaalsContact C-N 3.34Å; A110-I172 WeakPolarHBondContact CB-O 3.39Å; A110-K174 HydrophobicContact CB-CG 4.39Å; A110-K174 VanDerWaalsContact O-CE 3.31Å; A110-K174 WeakPolarHBondContact O-CE 3.15Å |
| 111 | V | 97.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | trans | -57.7 | 150.8 | 169.6 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | R14 L102 I114 G173 K174 | R14-V111 HydrophobicContact CB-CB 4.19Å; R14-V111 HydrophobicContact CB-CG1 4.13Å; L102-V111 HydrophobicContact CB-CG1 4.41Å; L102-V111 HydrophobicContact CB-CG2 4.19Å; L102-V111 HydrophobicContact CD2-CG1 4.18Å; L102-V111 WeakPolarHBondContact O-CG1 3.46Å; L102-V111 WeakPolarHBondContact O-CG2 3.39Å; L102-V111 PolarHBondContact O-N 3.08Å; V111-I114 HydrophobicContact CG2-CD1 3.75Å; V111-I114 HydrophobicContact CG2-CG1 3.4Å; V111-I114 VanDerWaalsContact CG2-CG1 3.4Å; V111-G173 WeakPolarHBondContact O-CA 3.35Å; V111-K174 PolarHBondContact O-N 2.98Å | ||
| 112 | D | 98 | Very high | 97.4 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -74.8 | -39.8 | -172.1 | -54.1 | -52.7 | 0 | 0 | 0 | 110.9 | L12 S13 R14 K174 H175 | L12-D112 HydrophobicContact CB-CB 4.33Å; L12-D112 HydrophobicContact CD2-CB 3.79Å; S13-D112 PolarHBondContact N-OD2 2.83Å; R14-D112 PolarHBondContact N-OD2 3.34Å; R14-D112 PolarHBondContact O-N 3.36Å; D112-K174 IonicContact OD1-NZ 3.54Å; D112-K174 PolarHBondContact OD1-NZ 2.78Å; D112-H175 VanDerWaalsContact O-CB 3.3Å; D112-H175 WeakPolarHBondContact O-CB 3.08Å; D112-H175 PolarHBondContact O-CD2 3.14Å; D112-H175 VanDerWaalsContact O-CD2 3.24Å; D112-H175 PolarHBondContact O-N 3.26Å |
| 113 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 134 | 179.9 | 177.5 | 65.3 | 0 | 0 | 0 | 111.8 | R14 V15 A16 I141 H175 F177 M204 V208 | R14-L113 PolarHBondContact O-N 3.38Å; V15-L113 CarbonylContact C-O 3.57Å; V15-L113 WeakPolarHBondContact CA-O 3.27Å; V15-L113 HydrophobicContact CG1-CB 4.15Å; V15-L113 HydrophobicContact CG1-CD2 4.06Å; V15-L113 HydrophobicContact CG1-CG 4.23Å; V15-L113 HydrophobicContact CG2-CB 4.15Å; A16-L113 PolarHBondContact N-O 3.31Å; L113-I141 HydrophobicContact CD1-CD1 4.38Å; L113-I141 HydrophobicContact CD2-CD1 3.61Å; L113-H175 WeakPolarHBondContact CA-O 3.06Å; L113-H175 HydrophobicContact CD1-CB 3.76Å; L113-F177 HydrophobicContact CD1-CD1 4.22Å; L113-F177 HydrophobicContact CD1-CE1 3.99Å; L113-M204 HydrophobicContact CD2-CG 4.37Å; L113-M204 HydrophobicContact CD2-SD 4.03Å; L113-V208 HydrophobicContact CD2-CG2 4Å |
| 114 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.7 | 167.2 | -57.9 | -178.5 | 0 | 0 | 0 | 110.2 | A16 L102 V111 D170 I172 G173 H175 G176 F177 | A16-I114 HydrophobicContact CB-CG1 4.37Å; A16-I114 WeakPolarHBondContact O-CA 3.41Å; L102-I114 HydrophobicContact CB-CD1 4.24Å; L102-I114 HydrophobicContact CD1-CD1 4.09Å; V111-I114 HydrophobicContact CG2-CD1 3.75Å; V111-I114 HydrophobicContact CG2-CG1 3.4Å; V111-I114 VanDerWaalsContact CG2-CG1 3.4Å; I114-D170 HydrophobicContact CG2-CB 4.41Å; I114-I172 HydrophobicContact CD1-CB 3.83Å; I114-I172 HydrophobicContact CD1-CG2 4.38Å; I114-G173 VanDerWaalsContact CD1-N 3.33Å; I114-H175 PolarHBondContact N-O 2.95Å; I114-G176 VanDerWaalsContact O-CA 3.32Å; I114-G176 WeakPolarHBondContact O-CA 3.45Å; I114-F177 PolarHBondContact O-N 3.25Å; I114-F177 VanDerWaalsContact O-N 3.08Å |
| 115 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 104.6 | 167.1 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | A16 V17 C18 F177 M204 | A16-C115 PolarHBondContact O-N 2.96Å; V17-C115 WeakPolarHBondContact CA-O 3.28Å; V17-C115 HydrophobicContact CG2-CB 4.29Å; C18-C115 PolarHBondContact N-O 2.91Å; C115-F177 WeakPolarHBondContact CA-O 3.49Å; C115-F177 HydrophobicContact CB-CE2 4.16Å; C115-F177 HydrophobicContact CB-CZ 4.1Å; C115-M204 HydrophobicContact CB-CE 3.86Å |
| 116 | D | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.7 | 179.3 | -166.3 | 23.7 | 0 | 0 | 0 | 110.6 | C18 T21 H118 D170 F177 A178 M179 | C18-D116 HydrophobicContact CB-CB 4.45Å; C18-D116 WeakPolarHBondContact CB-OD1 3.32Å; T21-D116 PolarHBondContact OG1-OD1 3.18Å; T21-D116 PolarHBondContact OG1-OD2 2.75Å; D116-H118 PolarHBondContact O-CD2 2.94Å; D116-H118 IonicContact OD1-NE2 3.78Å; D116-H118 IonicContact OD2-CD2 2.83Å; D116-H118 IonicContact OD2-CE1 2.78Å; D116-H118 PolarHBondContact OD2-CE1 3.11Å; D116-H118 IonicContact OD2-NE2 3.3Å; D116-H118 PolarHBondContact OD2-NE2 2.9Å; D116-D170 HydrophobicContact CB-CB 4.33Å; D116-F177 PolarHBondContact N-O 2.74Å; D116-A178 CarbonylContact O-C 3.6Å; D116-A178 WeakPolarHBondContact O-CA 3.33Å; D116-M179 PolarHBondContact O-N 2.97Å |
| 117 | L | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.9 | -169.4 | -56.1 | -179.4 | 0 | 0 | 0 | 111 | V17 C18 L31 M179 M197 V201 | V17-L117 HydrophobicContact CG1-CD1 3.7Å; V17-L117 HydrophobicContact CG1-CD2 4.34Å; V17-L117 HydrophobicContact CG1-CG 4.01Å; C18-L117 WeakPolarHBondContact O-CB 3.29Å; C18-L117 VanDerWaalsContact O-CG 3.31Å; C18-L117 WeakPolarHBondContact O-CG 3.48Å; C18-L117 PolarHBondContact O-N 3.36Å; L31-L117 HydrophobicContact CD2-CD1 3.83Å; L31-L117 HydrophobicContact CG-CD1 4.45Å; L117-M179 HydrophobicContact CD2-CB 3.94Å; L117-M179 HydrophobicContact CD2-SD 4.27Å; L117-M197 HydrophobicContact CB-CE 4.21Å; L117-M197 HydrophobicContact CB-SD 3.9Å; L117-M197 HydrophobicContact CD1-CG 4.48Å; L117-M197 HydrophobicContact CD1-SD 3.98Å; L117-M197 HydrophobicContact CD2-CG 4.22Å; L117-M197 HydrophobicContact CD2-SD 4.33Å; L117-M197 HydrophobicContact CG-SD 4.3Å; L117-V201 HydrophobicContact CD1-CG2 4.25Å; L117-V201 HydrophobicContact CD2-CG2 3.63Å |
| 118 | H | 98.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.4 | -177.4 | -67 | -97.9 | 0 | 0 | 0 | 112.1 | H22 E25 N72 D116 M179 E180 I181 M197 | H22-H118 AromaticContact CE1-CE1 3.33Å; H22-H118 PolarHBondContact CE1-CE1 3.35Å; H22-H118 AromaticContact CE1-ND1 3.17Å; H22-H118 PolarHBondContact CE1-ND1 3.22Å; H22-H118 AromaticContact ND1-CE1 3.63Å; H22-H118 AromaticContact ND1-ND1 3.17Å; H22-H118 PolarHBondContact ND1-ND1 2.86Å; H22-H118 VanDerWaalsContact ND1-ND1 3.17Å; E25-H118 VanDerWaalsContact OE2-CA 3.23Å; E25-H118 WeakPolarHBondContact OE2-CA 3.36Å; E25-H118 WeakPolarHBondContact OE2-CB 3.37Å; E25-H118 IonicContact OE2-CG 3.69Å; E25-H118 IonicContact OE2-ND1 3.25Å; E25-H118 PolarHBondContact OE2-ND1 2.87Å; N72-H118 PolarHBondContact ND2-CE1 2.83Å; D116-H118 PolarHBondContact O-CD2 2.94Å; D116-H118 IonicContact OD1-NE2 3.78Å; D116-H118 IonicContact OD2-CD2 2.83Å; D116-H118 IonicContact OD2-CE1 2.78Å; D116-H118 PolarHBondContact OD2-CE1 3.11Å; D116-H118 IonicContact OD2-NE2 3.3Å; D116-H118 PolarHBondContact OD2-NE2 2.9Å; H118-M179 PolarHBondContact N-O 3.01Å; H118-E180 WeakPolarHBondContact CB-OE2 3.24Å; H118-I181 PolarHBondContact O-N 3.44Å; H118-M197 WeakPolarHBondContact O-CE 3.41Å |
| 119 | N | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147 | 167 | -67.3 | 124.1 | 0 | 0 | 0 | 110.6 | E25 L26 S27 E180 I181 Q184 H186 | E25-N119 HydrophobicContact CB-CB 3.92Å; E25-N119 HydrophobicContact CG-CB 4.03Å; E25-N119 WeakPolarHBondContact CG-O 3.04Å; E25-N119 PolarHBondContact OE2-N 3.44Å; L26-N119 PolarHBondContact N-OD1 2.86Å; S27-N119 VanDerWaalsContact CB-OD1 3.22Å; S27-N119 WeakPolarHBondContact CB-OD1 3.27Å; S27-N119 PolarHBondContact N-OD1 2.87Å; S27-N119 PolarHBondContact OG-ND2 2.72Å; S27-N119 PolarHBondContact OG-OD1 3.35Å; N119-E180 WeakPolarHBondContact CA-OE1 3.07Å; N119-E180 PolarHBondContact N-OE1 3.04Å; N119-I181 WeakPolarHBondContact CA-O 3.41Å; N119-I181 PolarHBondContact ND2-O 2.8Å; N119-I181 VanDerWaalsContact ND2-O 3.14Å; N119-Q184 PolarHBondContact ND2-NE2 2.9Å; N119-Q184 PolarHBondContact OD1-NE2 3.48Å; N119-H186 PolarHBondContact O-CE1 3.26Å |
| 120 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -126.9 | 147.8 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | A122 M124 E180 I181 G182 P183 Q184 F285 E288 | T120-A122 HydrophobicContact CG2-CB 4.35Å; T120-A122 WeakPolarHBondContact OG1-CB 3.43Å; T120-A122 PolarHBondContact OG1-N 3.3Å; T120-M124 HydrophobicContact CG2-CB 4.23Å; T120-M124 HydrophobicContact CG2-CG 4.28Å; T120-M124 HydrophobicContact CG2-SD 3.82Å; T120-E180 WeakPolarHBondContact CB-OE1 3.28Å; T120-E180 HydrophobicContact CG2-CG 3.95Å; T120-E180 WeakPolarHBondContact CG2-OE1 3.48Å; T120-E180 PolarHBondContact N-OE1 3.08Å; T120-I181 PolarHBondContact N-O 3.4Å; T120-G182 WeakPolarHBondContact O-CA 3.44Å; T120-P183 WeakPolarHBondContact O-CA 3.39Å; T120-Q184 CarbonylContact C-O 3.34Å; T120-Q184 PolarHBondContact O-N 3.06Å; T120-F285 HydrophobicContact CG2-CE1 4.31Å; T120-F285 WeakPolarHBondContact OG1-CD1 3.48Å; T120-E288 VanDerWaalsContact CA-OE2 3.24Å; T120-E288 WeakPolarHBondContact CA-OE2 3.45Å; T120-E288 WeakPolarHBondContact CB-OE2 3.44Å; T120-E288 PolarHBondContact OG1-OE2 3.48Å | ||
| 121 | T | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 9.1 Ų | 9.1 | 20% | 0.202 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -74.3 | -16.4 | 169.6 | 64 | 0 | 0 | 0 | 0 | 112.4 | P183 N287 E288 C289 | T121-P183 WeakPolarHBondContact O-CB 3.41Å; T121-N287 PolarHBondContact OG1-O 2.87Å; T121-N287 VanDerWaalsContact OG1-O 3.12Å; T121-E288 PolarHBondContact N-OE2 3.21Å; T121-E288 WeakPolarHBondContact OG1-CA 3.24Å; T121-E288 PolarHBondContact OG1-OE2 2.74Å; T121-C289 HydrophobicContact CG2-CB 4.06Å; T121-C289 WeakPolarHBondContact CG2-SG 3.45Å; T121-C289 PolarHBondContact OG1-N 2.87Å |
| 122 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -74 | 154.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T120 M124 G182 P183 I286 | T120-A122 HydrophobicContact CG2-CB 4.35Å; T120-A122 WeakPolarHBondContact OG1-CB 3.43Å; T120-A122 PolarHBondContact OG1-N 3.3Å; A122-M124 HydrophobicContact CB-CG 3.98Å; A122-M124 HydrophobicContact CB-SD 4.13Å; A122-M124 PolarHBondContact O-N 3.17Å; A122-G182 CarbonylContact O-C 3.59Å; A122-G182 WeakPolarHBondContact O-CA 3.27Å; A122-P183 VanDerWaalsContact O-CA 3.23Å; A122-P183 WeakPolarHBondContact O-CA 3.25Å; A122-P183 WeakPolarHBondContact O-CB 3.41Å; A122-I286 WeakPolarHBondContact CB-O 3.38Å |
| 123 | N | 98.6 | Very high | 98.1 | Very high | 64 Ų | 64 | 12 Ų | 12 | 34% | 0.342 | 7% | 0.07 | S | C | . | . | S | Bend | trans | -85.2 | 52.2 | -174.7 | -172.9 | 32.5 | 0 | 0 | 0 | 112.5 | P183 D252 D254 | N123-P183 HydrophobicContact CB-CG 4.23Å; N123-P183 VanDerWaalsContact OD1-CD 3.26Å; N123-P183 WeakPolarHBondContact OD1-CD 3.39Å; N123-D252 HydrophobicContact CB-CB 3.79Å; N123-D252 PolarHBondContact ND2-O 3.49Å; N123-D254 PolarHBondContact N-OD2 2.94Å; N123-D254 WeakPolarHBondContact O-CB 3.45Å |
| 124 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -79.1 | -21.1 | -168.8 | -73.4 | 176.6 | 56.2 | 0 | 0 | 114.2 | T120 A122 C127 R155 I157 E180 D254 F255 F284 F285 | T120-M124 HydrophobicContact CG2-CB 4.23Å; T120-M124 HydrophobicContact CG2-CG 4.28Å; T120-M124 HydrophobicContact CG2-SD 3.82Å; A122-M124 HydrophobicContact CB-CG 3.98Å; A122-M124 HydrophobicContact CB-SD 4.13Å; A122-M124 PolarHBondContact O-N 3.17Å; M124-C127 HydrophobicContact CE-CB 4.14Å; M124-R155 PolarHBondContact O-NH1 3.2Å; M124-I157 HydrophobicContact CE-CD1 3.53Å; M124-E180 HydrophobicContact CE-CG 4.07Å; M124-D254 HydrophobicContact CG-CB 4.05Å; M124-D254 WeakPolarHBondContact CG-OD1 3.44Å; M124-F255 HydrophobicContact CB-CE2 3.9Å; M124-F255 HydrophobicContact CE-CE2 4.39Å; M124-F255 HydrophobicContact CE-CZ 4.11Å; M124-F255 HydrophobicContact CG-CE2 3.97Å; M124-F255 WeakPolarHBondContact O-CE2 3.44Å; M124-F284 HydrophobicContact CE-CD2 4.17Å; M124-F285 HydrophobicContact CE-CD1 4.27Å; M124-F285 HydrophobicContact CE-CD2 4.06Å; M124-F285 HydrophobicContact CE-CE1 4.04Å; M124-F285 HydrophobicContact CE-CE2 3.79Å; M124-F285 HydrophobicContact CE-CG 4.28Å; M124-F285 HydrophobicContact CE-CZ 3.78Å; M124-F285 HydrophobicContact SD-CB 4.23Å; M124-F285 HydrophobicContact SD-CD1 3.32Å; M124-F285 WeakPolarHBondContact SD-CD1 3.34Å; M124-F285 HydrophobicContact SD-CD2 3.94Å; M124-F285 HydrophobicContact SD-CE1 3.53Å; M124-F285 VanDerWaalsContact SD-CE1 3.53Å; M124-F285 HydrophobicContact SD-CE2 4.1Å; M124-F285 HydrophobicContact SD-CG 3.54Å; M124-F285 VanDerWaalsContact SD-CG 3.54Å; M124-F285 HydrophobicContact SD-CZ 3.91Å; M124-F285 PolarHBondContact SD-N 3.49Å | ||
| 125 | G | 98.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 17% | 0.165 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.9 | -157.4 | -160.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I181 G182 | G125-I181 WeakPolarHBondContact O-CA 3.33Å; G125-G182 WeakPolarHBondContact CA-O 3.32Å; G125-G182 PolarHBondContact N-O 2.92Å; G125-G182 VanDerWaalsContact N-O 3.11Å; G125-G182 PolarHBondContact O-N 2.59Å |
| 126 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.4 | 177.2 | -178.9 | 66.7 | 0 | 0 | 0 | 109.5 | M149 T152 P153 M154 R155 M179 E180 I181 | L126-M149 HydrophobicContact CD2-CE 4.12Å; L126-M149 HydrophobicContact CD2-SD 4.17Å; L126-T152 HydrophobicContact CB-CG2 3.65Å; L126-T152 HydrophobicContact CD2-CG2 4.11Å; L126-P153 PolarHBondContact N-O 2.99Å; L126-M154 HydrophobicContact CB-CG 4Å; L126-M154 HydrophobicContact CD2-CE 3.65Å; L126-M154 HydrophobicContact CD2-CG 3.93Å; L126-M154 HydrophobicContact CD2-SD 3.76Å; L126-M154 HydrophobicContact CG-CE 4.12Å; L126-M154 HydrophobicContact CG-CG 4.2Å; L126-M154 WeakPolarHBondContact O-CA 3.34Å; L126-R155 PolarHBondContact O-N 3.2Å; L126-M179 HydrophobicContact CD1-CG 3.62Å; L126-M179 HydrophobicContact CD1-SD 4.16Å; L126-E180 CarbonylContact C-O 3.44Å; L126-E180 WeakPolarHBondContact CA-O 3.24Å; L126-I181 HydrophobicContact CB-CD1 4.29Å; L126-I181 HydrophobicContact CB-CG1 4.4Å; L126-I181 HydrophobicContact CD1-CB 3.93Å; L126-I181 HydrophobicContact CD1-CD1 4.25Å; L126-I181 HydrophobicContact CD1-CG1 4.4Å |
| 127 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.5 | -178.8 | -66 | 0 | 0 | 0 | 0 | 110.9 | M124 R155 I157 E180 F255 | M124-C127 HydrophobicContact CE-CB 4.14Å; C127-R155 CarbonylContact C-O 3.52Å; C127-R155 VanDerWaalsContact CA-O 3.24Å; C127-R155 WeakPolarHBondContact CA-O 3.33Å; C127-I157 HydrophobicContact CB-CD1 4.01Å; C127-I157 HydrophobicContact CB-CG1 4.42Å; C127-E180 HydrophobicContact CB-CB 4.21Å; C127-E180 PolarHBondContact N-O 3.36Å; C127-E180 PolarHBondContact O-N 2.88Å; C127-F255 VanDerWaalsContact SG-CZ 3.59Å |
| 128 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.7 | 162.6 | -84.5 | 32.3 | 0 | 0 | 0 | 107.5 | I141 F142 L145 M154 R155 F156 I157 F177 A178 M179 | F128-I141 HydrophobicContact CE2-CB 4.34Å; F128-I141 HydrophobicContact CE2-CG2 3.74Å; F128-I141 HydrophobicContact CZ-CG2 3.95Å; F128-F142 HydrophobicContact CB-CD2 3.98Å; F128-F142 HydrophobicContact CD1-CD2 4.11Å; F128-F142 HydrophobicContact CD2-CB 3.77Å; F128-F142 HydrophobicContact CD2-CD2 4.06Å; F128-F142 HydrophobicContact CD2-CG 4.38Å; F128-F142 HydrophobicContact CE2-CB 4.02Å; F128-F142 HydrophobicContact CG-CB 4.37Å; F128-F142 AromaticContact CG-CD2 3.78Å; F128-F142 HydrophobicContact CG-CD2 3.78Å; F128-L145 HydrophobicContact CE1-CD2 3.71Å; F128-L145 HydrophobicContact CZ-CD2 3.59Å; F128-M154 HydrophobicContact CD1-CE 4.49Å; F128-M154 HydrophobicContact CE1-CE 4.25Å; F128-R155 PolarHBondContact N-O 3.38Å; F128-F156 HydrophobicContact CB-CD2 3.78Å; F128-F156 HydrophobicContact CB-CE2 4.15Å; F128-F156 HydrophobicContact CB-CG 4.48Å; F128-F156 HydrophobicContact CD2-CD2 4.46Å; F128-F156 HydrophobicContact CD2-CE2 4.43Å; F128-F156 CarbonylContact O-C 3.54Å; F128-I157 PolarHBondContact O-N 3.25Å; F128-F177 HydrophobicContact CD1-CD2 4.18Å; F128-F177 HydrophobicContact CD1-CE2 4.25Å; F128-F177 HydrophobicContact CD2-CB 4.35Å; F128-F177 HydrophobicContact CD2-CD1 4.14Å; F128-F177 AromaticContact CD2-CD2 3.57Å; F128-F177 HydrophobicContact CD2-CD2 3.57Å; F128-F177 HydrophobicContact CD2-CE1 4.33Å; F128-F177 AromaticContact CD2-CE2 3.81Å; F128-F177 HydrophobicContact CD2-CE2 3.81Å; F128-F177 AromaticContact CD2-CG 3.75Å; F128-F177 HydrophobicContact CD2-CG 3.75Å; F128-F177 HydrophobicContact CD2-CZ 4.18Å; F128-F177 HydrophobicContact CE1-CD2 4.19Å; F128-F177 AromaticContact CE1-CE2 3.79Å; F128-F177 HydrophobicContact CE1-CE2 3.79Å; F128-F177 HydrophobicContact CE1-CZ 4.48Å; F128-F177 HydrophobicContact CE2-CD1 4.02Å; F128-F177 AromaticContact CE2-CD2 3.58Å; F128-F177 HydrophobicContact CE2-CD2 3.58Å; F128-F177 AromaticContact CE2-CE1 3.73Å; F128-F177 HydrophobicContact CE2-CE1 3.73Å; F128-F177 AromaticContact CE2-CE2 3.29Å; F128-F177 HydrophobicContact CE2-CE2 3.29Å; F128-F177 AromaticContact CE2-CG 3.94Å; F128-F177 HydrophobicContact CE2-CG 3.94Å; F128-F177 AromaticContact CE2-CZ 3.37Å; F128-F177 HydrophobicContact CE2-CZ 3.37Å; F128-F177 AromaticContact CG-CD2 3.87Å; F128-F177 HydrophobicContact CG-CD2 3.87Å; F128-F177 HydrophobicContact CG-CE2 4.26Å; F128-F177 HydrophobicContact CG-CG 4.35Å; F128-F177 AromaticContact CZ-CD2 3.89Å; F128-F177 HydrophobicContact CZ-CD2 3.89Å; F128-F177 HydrophobicContact CZ-CE1 4.37Å; F128-F177 AromaticContact CZ-CE2 3.27Å; F128-F177 HydrophobicContact CZ-CE2 3.27Å; F128-F177 AromaticContact CZ-CZ 3.54Å; F128-F177 HydrophobicContact CZ-CZ 3.54Å; F128-A178 CarbonylContact C-O 3.55Å; F128-A178 WeakPolarHBondContact CA-O 3.43Å; F128-M179 HydrophobicContact CE1-CE 3.87Å; F128-M179 HydrophobicContact CE1-CG 4.27Å; F128-M179 HydrophobicContact CZ-CE 4.06Å |
| 129 | I | 98.7 | Very high | 97.6 | Very high | 20 Ų | 20 | 21.1 Ų | 21.1 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.2 | 175.6 | -46.5 | 179.5 | 0 | 0 | 0 | 107.9 | I157 F159 F177 A178 E180 F285 | I129-I157 WeakPolarHBondContact CA-O 3.1Å; I129-I157 HydrophobicContact CD1-CD1 4.37Å; I129-I157 HydrophobicContact CG1-CB 4.23Å; I129-I157 HydrophobicContact CG1-CD1 4.08Å; I129-I157 HydrophobicContact CG2-CB 4.4Å; I129-I157 HydrophobicContact CG2-CG2 4.45Å; I129-F159 HydrophobicContact CG2-CD1 4.14Å; I129-F159 HydrophobicContact CG2-CD2 4.45Å; I129-F159 HydrophobicContact CG2-CE1 4.04Å; I129-F159 HydrophobicContact CG2-CE2 4.36Å; I129-F159 HydrophobicContact CG2-CG 4.35Å; I129-F159 HydrophobicContact CG2-CZ 4.16Å; I129-F177 CarbonylContact O-C 3.57Å; I129-F177 WeakPolarHBondContact O-CA 3.45Å; I129-A178 HydrophobicContact CB-CB 4.21Å; I129-A178 PolarHBondContact N-O 2.87Å; I129-A178 PolarHBondContact O-N 2.56Å; I129-E180 HydrophobicContact CD1-CB 3.85Å; I129-E180 HydrophobicContact CD1-CG 4.13Å; I129-E180 HydrophobicContact CG1-CB 4.25Å; I129-F285 HydrophobicContact CD1-CE2 3.74Å; I129-F285 HydrophobicContact CD1-CZ 3.57Å |
| 130 | A | 97.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 160.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F156 I157 H158 F159 F177 | A130-F156 HydrophobicContact CB-CE1 4.2Å; A130-F156 HydrophobicContact CB-CZ 3.76Å; A130-I157 PolarHBondContact N-O 3.38Å; A130-H158 WeakPolarHBondContact O-CA 3.41Å; A130-F159 PolarHBondContact O-N 2.91Å; A130-F177 HydrophobicContact CB-CB 4.28Å |
| 131 | Y | 96.6 | Very high | 97.5 | Very high | 28 Ų | 28 | 21.2 Ų | 21.2 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -87.1 | -1.5 | 176.2 | -65.2 | -77.2 | 0 | 0 | 0 | 114.6 | H158 F159 V161 Y167 S168 | Y131-H158 PolarHBondContact O-NE2 2.87Å; Y131-F159 VanDerWaalsContact CA-O 3.31Å; Y131-F159 WeakPolarHBondContact CA-O 3.33Å; Y131-F159 HydrophobicContact CD1-CB 4.01Å; Y131-F159 HydrophobicContact CE1-CB 4.26Å; Y131-V161 HydrophobicContact CD1-CB 3.84Å; Y131-V161 HydrophobicContact CE1-CB 4.02Å; Y131-V161 HydrophobicContact CE1-CG1 4.48Å; Y131-V161 HydrophobicContact CE1-CG2 4.48Å; Y131-Y167 WeakPolarHBondContact OH-CD2 3.45Å; Y131-Y167 WeakPolarHBondContact OH-CE2 3.18Å; Y131-Y167 PolarHBondContact OH-N 2.89Å; Y131-S168 WeakPolarHBondContact CE2-OG 3.37Å; Y131-S168 WeakPolarHBondContact OH-CB 3.48Å; Y131-S168 PolarHBondContact OH-N 2.81Å; Y131-S168 PolarHBondContact OH-OG 3.36Å |
| 132 | S | 93.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 19.7 Ų | 19.7 | 25% | 0.245 | 11% | 0.109 | C | C | . | . | trans | -136.1 | 131.6 | -177.8 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | C134 D135 | S132-C134 PolarHBondContact OG-N 3.37Å; S132-C134 VanDerWaalsContact OG-N 3.11Å; S132-C134 PolarHBondContact OG-SG 3.12Å; S132-D135 PolarHBondContact OG-N 2.57Å | ||
| 133 | D | 92.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 22.8 Ų | 22.8 | 24% | 0.235 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -97.7 | 12.7 | 167.3 | 62.7 | 3.7 | 0 | 0 | 0 | 113 | L139 H158 V224 V306 | D133-L139 WeakPolarHBondContact O-CD1 3.22Å; D133-H158 HydrophobicContact CB-CB 4.2Å; D133-H158 WeakPolarHBondContact CB-ND1 3.33Å; D133-H158 VanDerWaalsContact CG-CE1 3.4Å; D133-H158 IonicContact OD1-CE1 3.6Å; D133-H158 IonicContact OD1-ND1 3.5Å; D133-H158 IonicContact OD2-CE1 2.7Å; D133-H158 PolarHBondContact OD2-CE1 3Å; D133-H158 IonicContact OD2-ND1 3.07Å; D133-H158 PolarHBondContact OD2-ND1 3.01Å; D133-V224 HydrophobicContact CB-CG1 4.22Å; D133-V306 HydrophobicContact CB-CG1 4.37Å |
| 134 | C | 93.9 | Very high | 97.5 | Very high | 85 Ų | 85 | 21.6 Ų | 21.6 | 57% | 0.574 | 11% | 0.114 | S | C | * | . | trans | -124.7 | 6.3 | 173.1 | 65.3 | 0 | 0 | 0 | 0 | 113.4 | S132 W136 | S132-C134 PolarHBondContact OG-N 3.37Å; S132-C134 VanDerWaalsContact OG-N 3.11Å; S132-C134 PolarHBondContact OG-SG 3.12Å; C134-W136 PolarHBondContact O-N 3.41Å; C134-W136 VanDerWaalsContact O-N 3.09Å | ||
| 135 | D | 96.1 | Very high | 97.4 | Very high | 25 Ų | 25 | 21.6 Ų | 21.6 | 13% | 0.134 | 11% | 0.114 | C | C | . | . | trans | -74.3 | 95.7 | 166.4 | -171.5 | -25.1 | 0 | 0 | 0 | 109.7 | S132 V137 C138 L139 H175 | S132-D135 PolarHBondContact OG-N 2.57Å; D135-V137 VanDerWaalsContact C-N 3.25Å; D135-V137 PolarHBondContact O-N 3.17Å; D135-V137 WeakPolarHBondContact OD1-CB 3.33Å; D135-V137 PolarHBondContact OD1-N 3.11Å; D135-C138 HydrophobicContact CB-CB 4.23Å; D135-C138 PolarHBondContact O-N 2.91Å; D135-C138 PolarHBondContact OD1-N 3.37Å; D135-C138 PolarHBondContact OD2-SG 2.86Å; D135-L139 WeakPolarHBondContact O-CG 3.43Å; D135-L139 PolarHBondContact O-N 3.12Å; D135-L139 VanDerWaalsContact O-N 3.08Å; D135-H175 IonicContact OD1-CE1 2.85Å; D135-H175 IonicContact OD1-CG 2.74Å; D135-H175 IonicContact OD1-ND1 3.52Å; D135-H175 PolarHBondContact OD1-ND1 3.44Å; D135-H175 IonicContact OD2-CE1 3.4Å; D135-H175 IonicContact OD2-CG 3.64Å; D135-H175 IonicContact OD2-ND1 3.04Å; D135-H175 PolarHBondContact OD2-ND1 2.86Å | ||
| 136 | W | 97.5 | Very high | 97.4 | Very high | 86 Ų | 86 | 24.5 Ų | 24.5 | 33% | 0.326 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.8 | -28.7 | -176.7 | -59.8 | -25.7 | 0 | 0 | 0 | 113.1 | V7 L9 C134 H140 P309 I311 | V7-W136 HydrophobicContact CB-CE3 4.32Å; V7-W136 HydrophobicContact CB-CZ3 4.01Å; V7-W136 HydrophobicContact CG1-CE3 3.86Å; V7-W136 HydrophobicContact CG1-CZ3 3.44Å; V7-W136 VanDerWaalsContact CG1-CZ3 3.44Å; V7-W136 HydrophobicContact CG2-CE3 4.32Å; V7-W136 HydrophobicContact CG2-CH2 4.21Å; V7-W136 HydrophobicContact CG2-CZ3 3.71Å; L9-W136 HydrophobicContact CD1-CB 4.43Å; C134-W136 PolarHBondContact O-N 3.41Å; C134-W136 VanDerWaalsContact O-N 3.09Å; W136-H140 WeakPolarHBondContact O-CB 3.33Å; W136-H140 PolarHBondContact O-CD2 3.25Å; W136-H140 PolarHBondContact O-N 3.33Å; W136-P309 HydrophobicContact CD2-CG 3.52Å; W136-P309 VanDerWaalsContact CE2-CD 3.41Å; W136-P309 HydrophobicContact CE3-CG 3.67Å; W136-P309 HydrophobicContact CG-CG 4.14Å; W136-P309 HydrophobicContact CH2-CG 3.89Å; W136-P309 HydrophobicContact CZ2-CG 3.73Å; W136-P309 HydrophobicContact CZ3-CG 3.88Å; W136-I311 HydrophobicContact CB-CG2 4.36Å |
| 137 | V | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.3 | -53.6 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | L9 L12 D135 L139 H140 I141 H175 W207 | L9-V137 HydrophobicContact CD1-CG2 3.88Å; L12-V137 HydrophobicContact CD1-CG1 3.74Å; L12-V137 HydrophobicContact CD2-CG1 4.49Å; D135-V137 VanDerWaalsContact C-N 3.25Å; D135-V137 PolarHBondContact O-N 3.17Å; D135-V137 WeakPolarHBondContact OD1-CB 3.33Å; D135-V137 PolarHBondContact OD1-N 3.11Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 3.42Å; V137-H140 PolarHBondContact O-N 3.17Å; V137-I141 HydrophobicContact CG1-CD1 3.86Å; V137-I141 VanDerWaalsContact O-CG1 3.31Å; V137-I141 WeakPolarHBondContact O-CG1 3.26Å; V137-I141 PolarHBondContact O-N 2.73Å; V137-H175 HydrophobicContact CB-CB 4.48Å; V137-H175 HydrophobicContact CG1-CB 4.35Å; V137-W207 HydrophobicContact CG1-CH2 4.02Å; V137-W207 HydrophobicContact CG1-CZ3 3.95Å |
| 138 | C | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 179.7 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | D135 F142 F156 F177 | D135-C138 HydrophobicContact CB-CB 4.23Å; D135-C138 PolarHBondContact O-N 2.91Å; D135-C138 PolarHBondContact OD1-N 3.37Å; D135-C138 PolarHBondContact OD2-SG 2.86Å; C138-F142 WeakPolarHBondContact O-CB 3.33Å; C138-F142 PolarHBondContact O-N 3.48Å; C138-F156 HydrophobicContact CB-CE2 4.4Å; C138-F177 HydrophobicContact CB-CD1 4.27Å |
| 139 | L | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.9 | -37.1 | 179.4 | -68.8 | 164.7 | 0 | 0 | 0 | 112.8 | D133 D135 V137 F142 R143 F156 V222 V224 V306 V308 | D133-L139 WeakPolarHBondContact O-CD1 3.22Å; D135-L139 WeakPolarHBondContact O-CG 3.43Å; D135-L139 PolarHBondContact O-N 3.12Å; D135-L139 VanDerWaalsContact O-N 3.08Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 3.42Å; L139-F142 PolarHBondContact O-N 2.83Å; L139-R143 WeakPolarHBondContact O-CG 3.37Å; L139-R143 PolarHBondContact O-N 3.3Å; L139-F156 HydrophobicContact CD2-CD1 4.17Å; L139-F156 HydrophobicContact CD2-CD2 3.94Å; L139-F156 HydrophobicContact CD2-CE1 3.98Å; L139-F156 HydrophobicContact CD2-CE2 3.74Å; L139-F156 HydrophobicContact CD2-CG 4.14Å; L139-F156 HydrophobicContact CD2-CZ 3.75Å; L139-F156 HydrophobicContact CG-CE2 4.31Å; L139-F156 HydrophobicContact CG-CZ 4.27Å; L139-V222 HydrophobicContact CD2-CB 4.31Å; L139-V222 HydrophobicContact CD2-CG1 4Å; L139-V222 HydrophobicContact CD2-CG2 4.45Å; L139-V224 HydrophobicContact CD2-CG2 4.24Å; L139-V306 HydrophobicContact CD1-CG2 4.33Å; L139-V306 HydrophobicContact CD2-CG2 4.39Å; L139-V308 HydrophobicContact CB-CG1 3.61Å; L139-V308 HydrophobicContact CD1-CG1 3.5Å; L139-V308 VanDerWaalsContact CD1-CG1 3.5Å; L139-V308 HydrophobicContact CG-CG1 4.16Å |
| 140 | H | 98.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.1 | -39.6 | 175.1 | -85.9 | -70.9 | 0 | 0 | 0 | 112.3 | W136 V137 F142 R143 H144 W207 E218 P309 I311 | W136-H140 WeakPolarHBondContact O-CB 3.33Å; W136-H140 PolarHBondContact O-CD2 3.25Å; W136-H140 PolarHBondContact O-N 3.33Å; V137-H140 PolarHBondContact O-N 3.17Å; H140-F142 VanDerWaalsContact C-N 3.34Å; H140-R143 PolarHBondContact ND1-NH1 3.05Å; H140-R143 PolarHBondContact O-N 3.45Å; H140-H144 WeakPolarHBondContact O-CB 3.39Å; H140-H144 PolarHBondContact O-N 3.17Å; H140-W207 HydrophobicContact CB-CH2 4.45Å; H140-W207 HydrophobicContact CB-CZ2 3.53Å; H140-E218 PolarHBondContact CE1-O 2.91Å; H140-P309 PolarHBondContact CE1-O 3.23Å; H140-P309 PolarHBondContact NE2-O 3.25Å; H140-I311 HydrophobicContact CB-CD1 4.16Å; H140-I311 WeakPolarHBondContact CD2-CD1 3.24Å |
| 141 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.6 | -50.7 | 170.8 | -67.2 | 166 | 0 | 0 | 0 | 109.4 | L113 F128 V137 R143 H144 L145 F177 M204 W207 | L113-I141 HydrophobicContact CD1-CD1 4.38Å; L113-I141 HydrophobicContact CD2-CD1 3.61Å; F128-I141 HydrophobicContact CE2-CB 4.34Å; F128-I141 HydrophobicContact CE2-CG2 3.74Å; F128-I141 HydrophobicContact CZ-CG2 3.95Å; V137-I141 HydrophobicContact CG1-CD1 3.86Å; V137-I141 VanDerWaalsContact O-CG1 3.31Å; V137-I141 WeakPolarHBondContact O-CG1 3.26Å; V137-I141 PolarHBondContact O-N 2.73Å; I141-R143 PolarHBondContact O-N 2.8Å; I141-H144 WeakPolarHBondContact O-CB 3.44Å; I141-H144 PolarHBondContact O-N 3.43Å; I141-H144 VanDerWaalsContact O-N 3.09Å; I141-L145 HydrophobicContact CG2-CD1 3.83Å; I141-L145 VanDerWaalsContact O-CD1 3.25Å; I141-L145 WeakPolarHBondContact O-CD1 3.41Å; I141-L145 PolarHBondContact O-N 2.92Å; I141-F177 HydrophobicContact CD1-CE1 4.05Å; I141-F177 HydrophobicContact CG2-CE1 4.17Å; I141-F177 HydrophobicContact CG2-CZ 4.03Å; I141-M204 HydrophobicContact CD1-CG 4.37Å; I141-M204 HydrophobicContact CG2-CB 3.99Å; I141-M204 HydrophobicContact CG2-CG 3.88Å; I141-W207 HydrophobicContact CD1-CE3 3.78Å; I141-W207 HydrophobicContact CD1-CZ3 3.83Å; I141-W207 HydrophobicContact CG1-CD2 3.5Å; I141-W207 VanDerWaalsContact CG1-CD2 3.5Å; I141-W207 HydrophobicContact CG1-CE3 3.22Å; I141-W207 HydrophobicContact CG1-CG 4.14Å; I141-W207 HydrophobicContact CG1-CH2 4.13Å; I141-W207 HydrophobicContact CG1-CZ2 4.36Å; I141-W207 HydrophobicContact CG1-CZ3 3.56Å |
| 142 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.2 | -48.7 | 178.3 | 175.2 | -104.5 | 0 | 0 | 0 | 112.6 | F128 C138 L139 H140 H144 L145 Q146 M154 R155 F156 V222 | F128-F142 HydrophobicContact CB-CD2 3.98Å; F128-F142 HydrophobicContact CD1-CD2 4.11Å; F128-F142 HydrophobicContact CD2-CB 3.77Å; F128-F142 HydrophobicContact CD2-CD2 4.06Å; F128-F142 HydrophobicContact CD2-CG 4.38Å; F128-F142 HydrophobicContact CE2-CB 4.02Å; F128-F142 HydrophobicContact CG-CB 4.37Å; F128-F142 AromaticContact CG-CD2 3.78Å; F128-F142 HydrophobicContact CG-CD2 3.78Å; C138-F142 WeakPolarHBondContact O-CB 3.33Å; C138-F142 PolarHBondContact O-N 3.48Å; L139-F142 PolarHBondContact O-N 2.83Å; H140-F142 VanDerWaalsContact C-N 3.34Å; F142-H144 VanDerWaalsContact C-N 3.3Å; F142-H144 PolarHBondContact O-N 3Å; F142-L145 PolarHBondContact O-N 3.13Å; F142-Q146 HydrophobicContact CD1-CG 4.34Å; F142-Q146 HydrophobicContact CE1-CG 3.91Å; F142-Q146 VanDerWaalsContact CE1-NE2 3.3Å; F142-Q146 HydrophobicContact CE2-CG 4.12Å; F142-Q146 HydrophobicContact CZ-CG 3.79Å; F142-Q146 WeakPolarHBondContact O-CG 3.45Å; F142-Q146 PolarHBondContact O-N 3.19Å; F142-M154 HydrophobicContact CD2-CE 4.02Å; F142-M154 HydrophobicContact CE2-CB 4.1Å; F142-M154 HydrophobicContact CE2-CE 4.01Å; F142-M154 HydrophobicContact CZ-CB 4.39Å; F142-R155 VanDerWaalsContact CZ-C 3.44Å; F142-F156 HydrophobicContact CB-CD2 3.89Å; F142-F156 HydrophobicContact CB-CE2 4.4Å; F142-F156 HydrophobicContact CD1-CB 4.04Å; F142-F156 HydrophobicContact CD1-CD2 4.1Å; F142-F156 HydrophobicContact CD2-CB 4.31Å; F142-F156 HydrophobicContact CD2-CD2 4.11Å; F142-F156 HydrophobicContact CE1-CB 3.81Å; F142-F156 HydrophobicContact CE2-CB 4.11Å; F142-F156 HydrophobicContact CG-CB 4.27Å; F142-F156 AromaticContact CG-CD2 3.76Å; F142-F156 HydrophobicContact CG-CD2 3.76Å; F142-F156 HydrophobicContact CZ-CB 3.85Å; F142-V222 HydrophobicContact CD1-CG1 3.72Å; F142-V222 HydrophobicContact CE1-CG1 3.76Å |
| 143 | R | 97.8 | Very high | 97 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 176.3 | -73.8 | 177.4 | 73.2 | -139.5 | 5.3 | 112.5 | L139 H140 I141 Q146 K147 E218 G219 V222 | L139-R143 WeakPolarHBondContact O-CG 3.37Å; L139-R143 PolarHBondContact O-N 3.3Å; H140-R143 PolarHBondContact ND1-NH1 3.05Å; H140-R143 PolarHBondContact O-N 3.45Å; I141-R143 PolarHBondContact O-N 2.8Å; R143-Q146 PolarHBondContact O-N 3.34Å; R143-K147 PolarHBondContact O-N 3.07Å; R143-K147 VanDerWaalsContact O-N 3.1Å; R143-E218 PolarHBondContact NH1-O 3.04Å; R143-G219 PolarHBondContact NH1-O 3.42Å; R143-G219 PolarHBondContact NH2-O 3Å; R143-V222 HydrophobicContact CG-CG2 3.45Å; R143-V222 VanDerWaalsContact CG-CG2 3.45Å |
| 144 | H | 98 | Very high | 97.2 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 19% | 0.185 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 177 | -178.8 | 81.8 | 0 | 0 | 0 | 110.7 | H140 I141 F142 Q146 K147 Q148 H203 W207 | H140-H144 WeakPolarHBondContact O-CB 3.39Å; H140-H144 PolarHBondContact O-N 3.17Å; I141-H144 WeakPolarHBondContact O-CB 3.44Å; I141-H144 PolarHBondContact O-N 3.43Å; I141-H144 VanDerWaalsContact O-N 3.09Å; F142-H144 VanDerWaalsContact C-N 3.3Å; F142-H144 PolarHBondContact O-N 3Å; H144-Q146 PolarHBondContact O-N 3.05Å; H144-K147 WeakPolarHBondContact O-CB 3.34Å; H144-K147 PolarHBondContact O-N 3.03Å; H144-K147 VanDerWaalsContact O-N 3.1Å; H144-Q148 WeakPolarHBondContact O-CG 3.47Å; H144-Q148 PolarHBondContact O-N 3.05Å; H144-H203 PolarHBondContact CD2-O 2.98Å; H144-W207 VanDerWaalsContact CB-CD1 3.44Å; H144-W207 HydrophobicContact CB-CG 4.21Å; H144-W207 AromaticContact CG-CD1 3.55Å; H144-W207 AromaticContact ND1-CD1 3.87Å |
| 145 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.8 | -86.1 | 66.8 | 0 | 0 | 0 | 111.9 | F128 I141 F142 K147 Q148 M149 M154 M179 H203 M204 | F128-L145 HydrophobicContact CE1-CD2 3.71Å; F128-L145 HydrophobicContact CZ-CD2 3.59Å; I141-L145 HydrophobicContact CG2-CD1 3.83Å; I141-L145 VanDerWaalsContact O-CD1 3.25Å; I141-L145 WeakPolarHBondContact O-CD1 3.41Å; I141-L145 PolarHBondContact O-N 2.92Å; F142-L145 PolarHBondContact O-N 3.13Å; L145-K147 PolarHBondContact O-N 3.12Å; L145-Q148 PolarHBondContact O-N 2.89Å; L145-M149 HydrophobicContact CG-SD 4.49Å; L145-M149 WeakPolarHBondContact O-CB 3.32Å; L145-M149 PolarHBondContact O-N 3.1Å; L145-M154 HydrophobicContact CB-CE 3.58Å; L145-M154 HydrophobicContact CB-SD 3.95Å; L145-M154 HydrophobicContact CD2-CE 4.05Å; L145-M154 HydrophobicContact CG-CE 4.5Å; L145-M179 HydrophobicContact CD2-CE 4.07Å; L145-H203 HydrophobicContact CD1-CB 3.69Å; L145-H203 HydrophobicContact CG-CB 3.81Å; L145-M204 HydrophobicContact CD1-CB 4.42Å |
| 146 | Q | 96.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 46.5 Ų | 46.5 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55.5 | -35.7 | 175.4 | -76.9 | -169.4 | -48 | 0 | 0 | 112.5 | F142 R143 H144 M154 | F142-Q146 HydrophobicContact CD1-CG 4.34Å; F142-Q146 HydrophobicContact CE1-CG 3.91Å; F142-Q146 VanDerWaalsContact CE1-NE2 3.3Å; F142-Q146 HydrophobicContact CE2-CG 4.12Å; F142-Q146 HydrophobicContact CZ-CG 3.79Å; F142-Q146 WeakPolarHBondContact O-CG 3.45Å; F142-Q146 PolarHBondContact O-N 3.19Å; R143-Q146 PolarHBondContact O-N 3.34Å; H144-Q146 PolarHBondContact O-N 3.05Å; Q146-M154 HydrophobicContact CG-CB 3.8Å; Q146-M154 HydrophobicContact CG-CE 4.45Å; Q146-M154 HydrophobicContact CG-SD 4.16Å; Q146-M154 PolarHBondContact NE2-O 3.41Å |
| 147 | K | 96.9 | Very high | 97.6 | Very high | 165 Ų | 165 | 42.4 Ų | 42.4 | 72% | 0.717 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -75 | -38.3 | 176.8 | -173.5 | -178.8 | 177.5 | -177.8 | 0 | 112.4 | R143 H144 L145 | R143-K147 PolarHBondContact O-N 3.07Å; R143-K147 VanDerWaalsContact O-N 3.1Å; H144-K147 WeakPolarHBondContact O-CB 3.34Å; H144-K147 PolarHBondContact O-N 3.03Å; H144-K147 VanDerWaalsContact O-N 3.1Å; L145-K147 PolarHBondContact O-N 3.12Å |
| 148 | Q | 97.9 | Very high | 97.6 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 41% | 0.411 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -81.9 | -21.8 | -177.4 | -60.3 | -53.1 | -37.6 | 0 | 0 | 113.5 | H144 L145 P150 | H144-Q148 WeakPolarHBondContact O-CG 3.47Å; H144-Q148 PolarHBondContact O-N 3.05Å; L145-Q148 PolarHBondContact O-N 2.89Å; Q148-P150 VanDerWaalsContact O-CD 3.3Å; Q148-P150 WeakPolarHBondContact O-CD 3.23Å |
| 149 | M | 97.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | trans | -121 | 58.8 | -176.9 | -55.7 | 177 | 71.1 | 0 | 0 | 111.5 | L126 L145 D151 T152 M154 A196 E199 | L126-M149 HydrophobicContact CD2-CE 4.12Å; L126-M149 HydrophobicContact CD2-SD 4.17Å; L145-M149 HydrophobicContact CG-SD 4.49Å; L145-M149 WeakPolarHBondContact O-CB 3.32Å; L145-M149 PolarHBondContact O-N 3.1Å; M149-D151 PolarHBondContact O-N 3.19Å; M149-D151 VanDerWaalsContact O-N 3.12Å; M149-T152 HydrophobicContact CE-CG2 4.38Å; M149-T152 PolarHBondContact O-N 3Å; M149-M154 HydrophobicContact CB-SD 4.46Å; M149-A196 HydrophobicContact CE-CB 4.32Å; M149-A196 WeakPolarHBondContact CE-O 3.48Å; M149-E199 HydrophobicContact CE-CB 3.94Å; M149-E199 HydrophobicContact SD-CB 4.42Å | ||
| 150 | P | 95.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 49.6 Ų | 49.6 | 65% | 0.649 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.3 | -171.1 | 27 | -36.3 | 0 | 0 | 0 | 114 | Q148 T152 | Q148-P150 VanDerWaalsContact O-CD 3.3Å; Q148-P150 WeakPolarHBondContact O-CD 3.23Å; P150-T152 VanDerWaalsContact C-N 3.34Å |
| 151 | D | 95.3 | Very high | 96.6 | Very high | 154 Ų | 154 | 51.5 Ų | 51.5 | 82% | 0.824 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -4 | 179.8 | -60.4 | -42.8 | 0 | 0 | 0 | 113.4 | M149 | M149-D151 PolarHBondContact O-N 3.19Å; M149-D151 VanDerWaalsContact O-N 3.12Å |
| 152 | T | 95.9 | Very high | 95.9 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 20% | 0.202 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -101 | 116.1 | 177.7 | -60 | 0 | 0 | 0 | 0 | 109.9 | L126 M149 P150 M154 | L126-T152 HydrophobicContact CB-CG2 3.65Å; L126-T152 HydrophobicContact CD2-CG2 4.11Å; M149-T152 HydrophobicContact CE-CG2 4.38Å; M149-T152 PolarHBondContact O-N 3Å; P150-T152 VanDerWaalsContact C-N 3.34Å; T152-M154 HydrophobicContact CG2-CG 4.11Å; T152-M154 WeakPolarHBondContact O-CG 3.16Å; T152-M154 PolarHBondContact O-N 3.24Å; T152-M154 VanDerWaalsContact O-N 3.14Å |
| 153 | P | 94.9 | Very high | 94.8 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | trans | -59.7 | 120.6 | 172 | -23.4 | 34.2 | 0 | 0 | 0 | 110.4 | L126 | L126-P153 PolarHBondContact N-O 2.99Š| ||
| 154 | M | 96.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 63.9 Ų | 63.9 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131 | -172.9 | -77.1 | -169.2 | 73.7 | 0 | 0 | 113.2 | L126 F128 F142 L145 Q146 M149 T152 | L126-M154 HydrophobicContact CB-CG 4Å; L126-M154 HydrophobicContact CD2-CE 3.65Å; L126-M154 HydrophobicContact CD2-CG 3.93Å; L126-M154 HydrophobicContact CD2-SD 3.76Å; L126-M154 HydrophobicContact CG-CE 4.12Å; L126-M154 HydrophobicContact CG-CG 4.2Å; L126-M154 WeakPolarHBondContact O-CA 3.34Å; F128-M154 HydrophobicContact CD1-CE 4.49Å; F128-M154 HydrophobicContact CE1-CE 4.25Å; F142-M154 HydrophobicContact CD2-CE 4.02Å; F142-M154 HydrophobicContact CE2-CB 4.1Å; F142-M154 HydrophobicContact CE2-CE 4.01Å; F142-M154 HydrophobicContact CZ-CB 4.39Å; L145-M154 HydrophobicContact CB-CE 3.58Å; L145-M154 HydrophobicContact CB-SD 3.95Å; L145-M154 HydrophobicContact CD2-CE 4.05Å; L145-M154 HydrophobicContact CG-CE 4.5Å; Q146-M154 HydrophobicContact CG-CB 3.8Å; Q146-M154 HydrophobicContact CG-CE 4.45Å; Q146-M154 HydrophobicContact CG-SD 4.16Å; Q146-M154 PolarHBondContact NE2-O 3.41Å; M149-M154 HydrophobicContact CB-SD 4.46Å; T152-M154 HydrophobicContact CG2-CG 4.11Å; T152-M154 WeakPolarHBondContact O-CG 3.16Å; T152-M154 PolarHBondContact O-N 3.24Å; T152-M154 VanDerWaalsContact O-N 3.14Å |
| 155 | R | 98.4 | Very high | 93.2 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 22% | 0.223 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.3 | -178.7 | -66.4 | 147.4 | 177.1 | 129.9 | -5.4 | 111.9 | M124 L126 C127 F128 F142 F225 F255 | M124-R155 PolarHBondContact O-NH1 3.2Å; L126-R155 PolarHBondContact O-N 3.2Å; C127-R155 CarbonylContact C-O 3.52Å; C127-R155 VanDerWaalsContact CA-O 3.24Å; C127-R155 WeakPolarHBondContact CA-O 3.33Å; F128-R155 PolarHBondContact N-O 3.38Å; F142-R155 VanDerWaalsContact CZ-C 3.44Å; R155-F225 HydrophobicContact CB-CD2 4.08Å; R155-F225 HydrophobicContact CB-CE2 4.04Å; R155-F225 HydrophobicContact CG-CD2 4.3Å; R155-F225 HydrophobicContact CG-CE2 3.77Å; R155-F225 HydrophobicContact CG-CZ 4.36Å; R155-F255 HydrophobicContact CB-CE1 4.21Å; R155-F255 HydrophobicContact CB-CZ 4.18Å; R155-F255 HydrophobicContact CG-CD1 4.4Å; R155-F255 HydrophobicContact CG-CE1 4.46Å; R155-F255 HydrophobicContact CG-CG 4.4Å; R155-F255 VanDerWaalsContact CZ-CD2 3.41Å |
| 156 | F | 98.7 | Very high | 93 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.3 | 172.7 | -165.3 | -79.3 | 0 | 0 | 0 | 108.9 | F128 A130 C138 L139 F142 V224 F225 | F128-F156 HydrophobicContact CB-CD2 3.78Å; F128-F156 HydrophobicContact CB-CE2 4.15Å; F128-F156 HydrophobicContact CB-CG 4.48Å; F128-F156 HydrophobicContact CD2-CD2 4.46Å; F128-F156 HydrophobicContact CD2-CE2 4.43Å; F128-F156 CarbonylContact O-C 3.54Å; A130-F156 HydrophobicContact CB-CE1 4.2Å; A130-F156 HydrophobicContact CB-CZ 3.76Å; C138-F156 HydrophobicContact CB-CE2 4.4Å; L139-F156 HydrophobicContact CD2-CD1 4.17Å; L139-F156 HydrophobicContact CD2-CD2 3.94Å; L139-F156 HydrophobicContact CD2-CE1 3.98Å; L139-F156 HydrophobicContact CD2-CE2 3.74Å; L139-F156 HydrophobicContact CD2-CG 4.14Å; L139-F156 HydrophobicContact CD2-CZ 3.75Å; L139-F156 HydrophobicContact CG-CE2 4.31Å; L139-F156 HydrophobicContact CG-CZ 4.27Å; F142-F156 HydrophobicContact CB-CD2 3.89Å; F142-F156 HydrophobicContact CB-CE2 4.4Å; F142-F156 HydrophobicContact CD1-CB 4.04Å; F142-F156 HydrophobicContact CD1-CD2 4.1Å; F142-F156 HydrophobicContact CD2-CB 4.31Å; F142-F156 HydrophobicContact CD2-CD2 4.11Å; F142-F156 HydrophobicContact CE1-CB 3.81Å; F142-F156 HydrophobicContact CE2-CB 4.11Å; F142-F156 HydrophobicContact CG-CB 4.27Å; F142-F156 AromaticContact CG-CD2 3.76Å; F142-F156 HydrophobicContact CG-CD2 3.76Å; F142-F156 HydrophobicContact CZ-CB 3.85Å; F156-V224 HydrophobicContact CB-CG2 4.35Å; F156-V224 HydrophobicContact CD1-CB 4.46Å; F156-V224 HydrophobicContact CD1-CG1 3.97Å; F156-V224 HydrophobicContact CD1-CG2 3.89Å; F156-V224 HydrophobicContact CG-CG2 4.35Å; F156-F225 PolarHBondContact O-N 2.97Å |
| 157 | I | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.9 | -180 | -52 | 179.4 | 0 | 0 | 0 | 107.9 | M124 C127 F128 I129 A130 F159 F225 F255 F284 | M124-I157 HydrophobicContact CE-CD1 3.53Å; C127-I157 HydrophobicContact CB-CD1 4.01Å; C127-I157 HydrophobicContact CB-CG1 4.42Å; F128-I157 PolarHBondContact O-N 3.25Å; I129-I157 WeakPolarHBondContact CA-O 3.1Å; I129-I157 HydrophobicContact CD1-CD1 4.37Å; I129-I157 HydrophobicContact CG1-CB 4.23Å; I129-I157 HydrophobicContact CG1-CD1 4.08Å; I129-I157 HydrophobicContact CG2-CB 4.4Å; I129-I157 HydrophobicContact CG2-CG2 4.45Å; A130-I157 PolarHBondContact N-O 3.38Å; I157-F159 HydrophobicContact CG2-CD1 3.9Å; I157-F159 HydrophobicContact CG2-CE1 3.65Å; I157-F225 WeakPolarHBondContact CA-O 3.49Å; I157-F255 HydrophobicContact CD1-CE1 4.08Å; I157-F255 HydrophobicContact CD1-CZ 3.69Å; I157-F255 HydrophobicContact CG1-CE1 4.15Å; I157-F255 HydrophobicContact CG1-CZ 4.14Å; I157-F284 HydrophobicContact CD1-CD2 3.75Å; I157-F284 HydrophobicContact CD1-CE2 3.93Å; I157-F284 HydrophobicContact CD1-CG 4.5Å; I157-F284 HydrophobicContact CG2-CE2 3.81Å; I157-F284 HydrophobicContact CG2-CZ 3.9Å |
| 158 | H | 98.1 | Very high | 93 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.032 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.2 | 177.6 | 172.3 | -151.3 | 0 | 0 | 0 | 109.7 | A130 Y131 D133 V224 F225 T226 M227 | A130-H158 WeakPolarHBondContact O-CA 3.41Å; Y131-H158 PolarHBondContact O-NE2 2.87Å; D133-H158 HydrophobicContact CB-CB 4.2Å; D133-H158 WeakPolarHBondContact CB-ND1 3.33Å; D133-H158 VanDerWaalsContact CG-CE1 3.4Å; D133-H158 IonicContact OD1-CE1 3.6Å; D133-H158 IonicContact OD1-ND1 3.5Å; D133-H158 IonicContact OD2-CE1 2.7Å; D133-H158 PolarHBondContact OD2-CE1 3Å; D133-H158 IonicContact OD2-ND1 3.07Å; D133-H158 PolarHBondContact OD2-ND1 3.01Å; H158-V224 HydrophobicContact CB-CG1 3.53Å; H158-F225 PolarHBondContact N-O 3.45Å; H158-T226 HydrophobicContact CB-CG2 4.49Å; H158-T226 WeakPolarHBondContact O-CA 3Å; H158-M227 PolarHBondContact O-N 3.17Å |
| 159 | F | 95.9 | Very high | 93 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | trans | -93.8 | 105 | 168.5 | -78 | 16.2 | 0 | 0 | 0 | 108.5 | I129 A130 Y131 I157 V161 M227 F284 | I129-F159 HydrophobicContact CG2-CD1 4.14Å; I129-F159 HydrophobicContact CG2-CD2 4.45Å; I129-F159 HydrophobicContact CG2-CE1 4.04Å; I129-F159 HydrophobicContact CG2-CE2 4.36Å; I129-F159 HydrophobicContact CG2-CG 4.35Å; I129-F159 HydrophobicContact CG2-CZ 4.16Å; A130-F159 PolarHBondContact O-N 2.91Å; Y131-F159 VanDerWaalsContact CA-O 3.31Å; Y131-F159 WeakPolarHBondContact CA-O 3.33Å; Y131-F159 HydrophobicContact CD1-CB 4.01Å; Y131-F159 HydrophobicContact CE1-CB 4.26Å; I157-F159 HydrophobicContact CG2-CD1 3.9Å; I157-F159 HydrophobicContact CG2-CE1 3.65Å; F159-V161 PolarHBondContact O-N 2.89Å; F159-M227 HydrophobicContact CD1-CB 3.89Å; F159-M227 HydrophobicContact CD1-CG 4.44Å; F159-M227 HydrophobicContact CD1-SD 3.73Å; F159-M227 HydrophobicContact CD2-SD 4.41Å; F159-M227 HydrophobicContact CE1-CB 4.18Å; F159-M227 HydrophobicContact CE1-CG 4.37Å; F159-M227 HydrophobicContact CE1-SD 3.51Å; F159-M227 VanDerWaalsContact CE1-SD 3.51Å; F159-M227 HydrophobicContact CE2-SD 4.22Å; F159-M227 HydrophobicContact CG-SD 4.19Å; F159-M227 HydrophobicContact CZ-SD 3.78Å; F159-F284 HydrophobicContact CE1-CE2 4.07Å; F159-F284 HydrophobicContact CE1-CZ 4.04Å | ||
| 160 | D | 90.8 | Very high | 93 | Very high | 122 Ų | 122 | 55.1 Ų | 55.1 | 65% | 0.652 | 30% | 0.295 | S | S | * | . | trans | -76 | 68.1 | -179 | -168 | 8.5 | 0 | 0 | 0 | 110.5 | T226 | D160-T226 HydrophobicContact CB-CG2 4.26Š| ||
| 161 | V | 87.8 | Confident | 93.1 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | trans | -119.6 | 134.2 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 107 | Y131 F159 E165 | Y131-V161 HydrophobicContact CD1-CB 3.84Å; Y131-V161 HydrophobicContact CE1-CB 4.02Å; Y131-V161 HydrophobicContact CE1-CG1 4.48Å; Y131-V161 HydrophobicContact CE1-CG2 4.48Å; F159-V161 PolarHBondContact O-N 2.89Å; V161-E165 HydrophobicContact CG1-CB 3.7Å | ||
| 162 | S | 83.9 | Confident | 93.3 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | trans | -58.6 | 147.7 | -178 | 75.1 | 0 | 0 | 0 | 0 | 111.5 | K164 E165 S166 | S162-K164 PolarHBondContact O-N 3.45Å; S162-E165 CarbonylContact O-C 3.54Å; S162-E165 PolarHBondContact O-N 3.1Å; S162-E165 WeakPolarHBondContact OG-CG 3.24Å; S162-E165 PolarHBondContact OG-N 3.18Å; S162-E165 PolarHBondContact OG-OE2 3.1Å; S162-S166 PolarHBondContact O-N 3.38Å | ||
| 163 | T | 75.8 | Confident | 93.3 | Very high | 107 Ų | 107 | 42.9 Ų | 42.9 | 66% | 0.656 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.1 | 177.6 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | S166 | T163-S166 PolarHBondContact O-OG 3.02Š|
| 164 | K | 77.5 | Confident | 93.4 | Very high | 162 Ų | 162 | 44 Ų | 44 | 70% | 0.704 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -29.9 | 175 | -67.4 | -178.8 | 176.5 | 176.7 | 0 | 112.8 | S162 | S162-K164 PolarHBondContact O-N 3.45Š|
| 165 | E | 85.3 | Confident | 93.5 | Very high | 123 Ų | 123 | 45 Ų | 45 | 58% | 0.575 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -7.9 | -175.9 | -66.9 | 172.9 | 143.3 | 0 | 0 | 112.8 | V161 S162 Y167 | V161-E165 HydrophobicContact CG1-CB 3.7Å; S162-E165 CarbonylContact O-C 3.54Å; S162-E165 PolarHBondContact O-N 3.1Å; S162-E165 WeakPolarHBondContact OG-CG 3.24Å; S162-E165 PolarHBondContact OG-N 3.18Å; S162-E165 PolarHBondContact OG-OE2 3.1Å; E165-Y167 PolarHBondContact O-N 2.9Å |
| 166 | S | 93.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -54.6 | 137.3 | 173.6 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | K105 S162 T163 S171 | K105-S166 WeakPolarHBondContact CE-OG 3.48Å; K105-S166 PolarHBondContact NZ-O 3.13Å; K105-S166 PolarHBondContact NZ-OG 3.12Å; S162-S166 PolarHBondContact O-N 3.38Å; T163-S166 PolarHBondContact O-OG 3.02Å; S166-S171 VanDerWaalsContact OG-CB 3.32Å; S166-S171 WeakPolarHBondContact OG-CB 3.31Å; S166-S171 PolarHBondContact OG-OG 2.7Å | ||
| 167 | Y | 96.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 22% | 0.22 | 22% | 0.223 | C | C | . | . | trans | -128.1 | -5 | -163.2 | 52.2 | -112.3 | 0 | 0 | 0 | 114 | N72 R73 C74 F75 Y131 E165 | N72-Y167 CarbonylContact C-O 3.46Å; N72-Y167 VanDerWaalsContact O-CD2 3.27Å; N72-Y167 WeakPolarHBondContact O-CD2 3.39Å; R73-Y167 CarbonylContact C-O 3.53Å; R73-Y167 WeakPolarHBondContact CA-O 3.28Å; C74-Y167 PolarHBondContact N-O 2.89Å; F75-Y167 WeakPolarHBondContact CB-O 3.46Å; F75-Y167 WeakPolarHBondContact CD2-O 3.46Å; F75-Y167 PolarHBondContact N-O 3.36Å; Y131-Y167 WeakPolarHBondContact OH-CD2 3.45Å; Y131-Y167 WeakPolarHBondContact OH-CE2 3.18Å; Y131-Y167 PolarHBondContact OH-N 2.89Å; E165-Y167 PolarHBondContact O-N 2.9Å | ||
| 168 | S | 97.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -96.2 | 161.6 | -177.8 | 54.9 | 0 | 0 | 0 | 0 | 113 | N72 F75 Y131 D170 S171 | N72-S168 WeakPolarHBondContact OD1-CA 3.43Å; N72-S168 WeakPolarHBondContact OD1-CB 3.09Å; F75-S168 WeakPolarHBondContact CB-O 2.97Å; F75-S168 VanDerWaalsContact CD2-C 3.48Å; Y131-S168 WeakPolarHBondContact CE2-OG 3.37Å; Y131-S168 WeakPolarHBondContact OH-CB 3.48Å; Y131-S168 PolarHBondContact OH-N 2.81Å; Y131-S168 PolarHBondContact OH-OG 3.36Å; S168-D170 VanDerWaalsContact C-N 3.33Å; S168-D170 WeakPolarHBondContact CB-OD1 3.4Å; S168-D170 PolarHBondContact O-N 3.3Å; S168-D170 PolarHBondContact OG-OD1 3.37Å; S168-S171 WeakPolarHBondContact O-CB 3.47Å; S168-S171 PolarHBondContact O-N 2.93Å; S168-S171 VanDerWaalsContact O-N 3.17Å; S168-S171 PolarHBondContact O-OG 3.05Å |
| 169 | L | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -59.3 | -41.2 | -174.6 | 172.5 | 57.8 | 0 | 0 | 0 | 112.8 | C18 T21 S55 N72 F75 L98 L102 S171 I172 | C18-L169 HydrophobicContact CB-CD2 3.67Å; T21-L169 VanDerWaalsContact OG1-CD2 3.29Å; T21-L169 WeakPolarHBondContact OG1-CD2 3.24Å; S55-L169 WeakPolarHBondContact OG-CD2 3.38Å; N72-L169 PolarHBondContact OD1-N 2.96Å; F75-L169 HydrophobicContact CD2-CB 4.16Å; F75-L169 VanDerWaalsContact CD2-N 3.33Å; F75-L169 HydrophobicContact CE1-CD1 3.78Å; F75-L169 HydrophobicContact CE2-CB 3.66Å; F75-L169 HydrophobicContact CE2-CD1 4.27Å; F75-L169 HydrophobicContact CZ-CB 3.92Å; F75-L169 HydrophobicContact CZ-CD1 3.62Å; F75-L169 HydrophobicContact CZ-CG 4.3Å; L98-L169 HydrophobicContact CB-CD1 4.27Å; L98-L169 HydrophobicContact CD1-CD1 4.08Å; L102-L169 HydrophobicContact CD1-CD1 4.11Å; L169-S171 PolarHBondContact O-N 3.45Å; L169-S171 VanDerWaalsContact O-N 3.11Å; L169-I172 HydrophobicContact CD1-CD1 3.65Å; L169-I172 WeakPolarHBondContact O-CG1 3.37Å; L169-I172 PolarHBondContact O-N 2.83Å; L169-I172 VanDerWaalsContact O-N 3.12Å |
| 170 | D | 97.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -57.2 | -28 | 179.6 | 61.7 | -78.7 | 0 | 0 | 0 | 112.9 | I114 D116 S168 I172 G173 | I114-D170 HydrophobicContact CG2-CB 4.41Å; D116-D170 HydrophobicContact CB-CB 4.33Å; S168-D170 VanDerWaalsContact C-N 3.33Å; S168-D170 WeakPolarHBondContact CB-OD1 3.4Å; S168-D170 PolarHBondContact O-N 3.3Å; S168-D170 PolarHBondContact OG-OD1 3.37Å; D170-I172 PolarHBondContact O-N 3.4Å; D170-I172 VanDerWaalsContact O-N 3.17Å; D170-G173 PolarHBondContact O-N 3.09Å |
| 171 | S | 97.8 | Very high | 94 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -72.8 | -3 | -179.8 | 74.6 | 0 | 0 | 0 | 0 | 115.3 | K105 S166 S168 L169 | K105-S171 WeakPolarHBondContact CD-O 3.05Å; K105-S171 VanDerWaalsContact CE-O 3.31Å; K105-S171 WeakPolarHBondContact CE-O 3.36Å; K105-S171 WeakPolarHBondContact CG-O 3.39Å; K105-S171 PolarHBondContact NZ-OG 3.29Å; S166-S171 VanDerWaalsContact OG-CB 3.32Å; S166-S171 WeakPolarHBondContact OG-CB 3.31Å; S166-S171 PolarHBondContact OG-OG 2.7Å; S168-S171 WeakPolarHBondContact O-CB 3.47Å; S168-S171 PolarHBondContact O-N 2.93Å; S168-S171 VanDerWaalsContact O-N 3.17Å; S168-S171 PolarHBondContact O-OG 3.05Å; L169-S171 PolarHBondContact O-N 3.45Å; L169-S171 VanDerWaalsContact O-N 3.11Å |
| 172 | I | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -72.2 | -38.8 | 171.8 | -63.3 | 174.1 | 0 | 0 | 0 | 110.9 | F75 L98 N99 L102 K105 A110 I114 L169 D170 | F75-I172 HydrophobicContact CD1-CD1 3.34Å; F75-I172 HydrophobicContact CD1-CG1 3.77Å; F75-I172 HydrophobicContact CE1-CD1 3.43Å; F75-I172 VanDerWaalsContact CE1-CD1 3.43Å; F75-I172 HydrophobicContact CE1-CG1 4.34Å; F75-I172 HydrophobicContact CG-CD1 4.37Å; F75-I172 HydrophobicContact CG-CG1 4.46Å; F75-I172 HydrophobicContact CZ-CD1 4.5Å; L98-I172 HydrophobicContact CB-CD1 4.46Å; N99-I172 HydrophobicContact CB-CD1 4.29Å; L102-I172 HydrophobicContact CB-CG2 4.02Å; K105-I172 HydrophobicContact CB-CG2 4.4Å; A110-I172 WeakPolarHBondContact CB-O 3.39Å; I114-I172 HydrophobicContact CD1-CB 3.83Å; I114-I172 HydrophobicContact CD1-CG2 4.38Å; L169-I172 HydrophobicContact CD1-CD1 3.65Å; L169-I172 WeakPolarHBondContact O-CG1 3.37Å; L169-I172 PolarHBondContact O-N 2.83Å; L169-I172 VanDerWaalsContact O-N 3.12Å; D170-I172 PolarHBondContact O-N 3.4Å; D170-I172 VanDerWaalsContact O-N 3.17Å |
| 173 | G | 97.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -68.4 | 163.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V111 I114 D170 H175 | V111-G173 WeakPolarHBondContact O-CA 3.35Å; I114-G173 VanDerWaalsContact CD1-N 3.33Å; D170-G173 PolarHBondContact O-N 3.09Å; G173-H175 VanDerWaalsContact C-N 3.3Å |
| 174 | K | 97.3 | Very high | 96.3 | Very high | 101 Ų | 101 | 28.7 Ų | 28.7 | 44% | 0.439 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -64.3 | -42.7 | 171.2 | -60.5 | 175.3 | -169.5 | 160 | 0 | 110.5 | R108 A110 V111 D112 | R108-K174 WeakPolarHBondContact O-CE 3.41Å; R108-K174 PolarHBondContact O-NZ 3.24Å; A110-K174 HydrophobicContact CB-CG 4.39Å; A110-K174 VanDerWaalsContact O-CE 3.31Å; A110-K174 WeakPolarHBondContact O-CE 3.15Å; V111-K174 PolarHBondContact O-N 2.98Å; D112-K174 IonicContact OD1-NZ 3.54Å; D112-K174 PolarHBondContact OD1-NZ 2.78Å |
| 175 | H | 97.8 | Very high | 97.3 | Very high | 40 Ų | 40 | 24.4 Ų | 24.4 | 19% | 0.185 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.3 | 168.2 | -55.1 | -71.4 | 0 | 0 | 0 | 108.9 | D112 L113 I114 D135 V137 G173 | D112-H175 VanDerWaalsContact O-CB 3.3Å; D112-H175 WeakPolarHBondContact O-CB 3.08Å; D112-H175 PolarHBondContact O-CD2 3.14Å; D112-H175 VanDerWaalsContact O-CD2 3.24Å; D112-H175 PolarHBondContact O-N 3.26Å; L113-H175 WeakPolarHBondContact CA-O 3.06Å; L113-H175 HydrophobicContact CD1-CB 3.76Å; I114-H175 PolarHBondContact N-O 2.95Å; D135-H175 IonicContact OD1-CE1 2.85Å; D135-H175 IonicContact OD1-CG 2.74Å; D135-H175 IonicContact OD1-ND1 3.52Å; D135-H175 PolarHBondContact OD1-ND1 3.44Å; D135-H175 IonicContact OD2-CE1 3.4Å; D135-H175 IonicContact OD2-CG 3.64Å; D135-H175 IonicContact OD2-ND1 3.04Å; D135-H175 PolarHBondContact OD2-ND1 2.86Å; V137-H175 HydrophobicContact CB-CB 4.48Å; V137-H175 HydrophobicContact CG1-CB 4.35Å; G173-H175 VanDerWaalsContact C-N 3.3Å |
| 176 | G | 97.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 11% | 0.113 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 142.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | I114 | I114-G176 VanDerWaalsContact O-CA 3.32Å; I114-G176 WeakPolarHBondContact O-CA 3.45Å |
| 177 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 152.1 | 167.1 | 60.4 | -91.9 | 0 | 0 | 0 | 110.6 | L113 I114 C115 D116 F128 I129 A130 C138 I141 M179 M204 | L113-F177 HydrophobicContact CD1-CD1 4.22Å; L113-F177 HydrophobicContact CD1-CE1 3.99Å; I114-F177 PolarHBondContact O-N 3.25Å; I114-F177 VanDerWaalsContact O-N 3.08Å; C115-F177 WeakPolarHBondContact CA-O 3.49Å; C115-F177 HydrophobicContact CB-CE2 4.16Å; C115-F177 HydrophobicContact CB-CZ 4.1Å; D116-F177 PolarHBondContact N-O 2.74Å; F128-F177 HydrophobicContact CD1-CD2 4.18Å; F128-F177 HydrophobicContact CD1-CE2 4.25Å; F128-F177 HydrophobicContact CD2-CB 4.35Å; F128-F177 HydrophobicContact CD2-CD1 4.14Å; F128-F177 AromaticContact CD2-CD2 3.57Å; F128-F177 HydrophobicContact CD2-CD2 3.57Å; F128-F177 HydrophobicContact CD2-CE1 4.33Å; F128-F177 AromaticContact CD2-CE2 3.81Å; F128-F177 HydrophobicContact CD2-CE2 3.81Å; F128-F177 AromaticContact CD2-CG 3.75Å; F128-F177 HydrophobicContact CD2-CG 3.75Å; F128-F177 HydrophobicContact CD2-CZ 4.18Å; F128-F177 HydrophobicContact CE1-CD2 4.19Å; F128-F177 AromaticContact CE1-CE2 3.79Å; F128-F177 HydrophobicContact CE1-CE2 3.79Å; F128-F177 HydrophobicContact CE1-CZ 4.48Å; F128-F177 HydrophobicContact CE2-CD1 4.02Å; F128-F177 AromaticContact CE2-CD2 3.58Å; F128-F177 HydrophobicContact CE2-CD2 3.58Å; F128-F177 AromaticContact CE2-CE1 3.73Å; F128-F177 HydrophobicContact CE2-CE1 3.73Å; F128-F177 AromaticContact CE2-CE2 3.29Å; F128-F177 HydrophobicContact CE2-CE2 3.29Å; F128-F177 AromaticContact CE2-CG 3.94Å; F128-F177 HydrophobicContact CE2-CG 3.94Å; F128-F177 AromaticContact CE2-CZ 3.37Å; F128-F177 HydrophobicContact CE2-CZ 3.37Å; F128-F177 AromaticContact CG-CD2 3.87Å; F128-F177 HydrophobicContact CG-CD2 3.87Å; F128-F177 HydrophobicContact CG-CE2 4.26Å; F128-F177 HydrophobicContact CG-CG 4.35Å; F128-F177 AromaticContact CZ-CD2 3.89Å; F128-F177 HydrophobicContact CZ-CD2 3.89Å; F128-F177 HydrophobicContact CZ-CE1 4.37Å; F128-F177 AromaticContact CZ-CE2 3.27Å; F128-F177 HydrophobicContact CZ-CE2 3.27Å; F128-F177 AromaticContact CZ-CZ 3.54Å; F128-F177 HydrophobicContact CZ-CZ 3.54Å; I129-F177 CarbonylContact O-C 3.57Å; I129-F177 WeakPolarHBondContact O-CA 3.45Å; A130-F177 HydrophobicContact CB-CB 4.28Å; C138-F177 HydrophobicContact CB-CD1 4.27Å; I141-F177 HydrophobicContact CD1-CE1 4.05Å; I141-F177 HydrophobicContact CG2-CE1 4.17Å; I141-F177 HydrophobicContact CG2-CZ 4.03Å; F177-M179 HydrophobicContact CE2-CB 4.28Å; F177-M179 HydrophobicContact CE2-CE 4.07Å; F177-M204 HydrophobicContact CZ-CG 4.11Å |
| 178 | A | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 5% | 0.05 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D116 F128 I129 | D116-A178 CarbonylContact O-C 3.6Å; D116-A178 WeakPolarHBondContact O-CA 3.33Å; F128-A178 CarbonylContact C-O 3.55Å; F128-A178 WeakPolarHBondContact CA-O 3.43Å; I129-A178 HydrophobicContact CB-CB 4.21Å; I129-A178 PolarHBondContact N-O 2.87Å; I129-A178 PolarHBondContact O-N 2.56Å |
| 179 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 99 | 167 | -173.7 | 178.7 | -59.8 | 0 | 0 | 108.1 | D116 L117 H118 L126 F128 L145 F177 M197 V201 | D116-M179 PolarHBondContact O-N 2.97Å; L117-M179 HydrophobicContact CD2-CB 3.94Å; L117-M179 HydrophobicContact CD2-SD 4.27Å; H118-M179 PolarHBondContact N-O 3.01Å; L126-M179 HydrophobicContact CD1-CG 3.62Å; L126-M179 HydrophobicContact CD1-SD 4.16Å; F128-M179 HydrophobicContact CE1-CE 3.87Å; F128-M179 HydrophobicContact CE1-CG 4.27Å; F128-M179 HydrophobicContact CZ-CE 4.06Å; L145-M179 HydrophobicContact CD2-CE 4.07Å; F177-M179 HydrophobicContact CE2-CB 4.28Å; F177-M179 HydrophobicContact CE2-CE 4.07Å; M179-M197 HydrophobicContact SD-CG 4.39Å; M179-V201 HydrophobicContact CE-CG2 4.29Å; M179-V201 HydrophobicContact SD-CG2 4.17Å |
| 180 | E | 98.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.8 | -177.2 | 175 | 61.8 | -96.6 | 0 | 0 | 109.8 | H118 N119 T120 M124 L126 C127 I129 F285 | H118-E180 WeakPolarHBondContact CB-OE2 3.24Å; N119-E180 WeakPolarHBondContact CA-OE1 3.07Å; N119-E180 PolarHBondContact N-OE1 3.04Å; T120-E180 WeakPolarHBondContact CB-OE1 3.28Å; T120-E180 HydrophobicContact CG2-CG 3.95Å; T120-E180 WeakPolarHBondContact CG2-OE1 3.48Å; T120-E180 PolarHBondContact N-OE1 3.08Å; M124-E180 HydrophobicContact CE-CG 4.07Å; L126-E180 CarbonylContact C-O 3.44Å; L126-E180 WeakPolarHBondContact CA-O 3.24Å; C127-E180 HydrophobicContact CB-CB 4.21Å; C127-E180 PolarHBondContact N-O 3.36Å; C127-E180 PolarHBondContact O-N 2.88Å; I129-E180 HydrophobicContact CD1-CB 3.85Å; I129-E180 HydrophobicContact CD1-CG 4.13Å; I129-E180 HydrophobicContact CG1-CB 4.25Å; E180-F285 HydrophobicContact CG-CE1 4.23Å; E180-F285 HydrophobicContact CG-CZ 4.09Å |
| 181 | I | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 128.3 | 174 | -171.8 | 174.4 | 0 | 0 | 0 | 112.7 | H118 N119 T120 G125 L126 I193 A196 M197 | H118-I181 PolarHBondContact O-N 3.44Å; N119-I181 WeakPolarHBondContact CA-O 3.41Å; N119-I181 PolarHBondContact ND2-O 2.8Å; N119-I181 VanDerWaalsContact ND2-O 3.14Å; T120-I181 PolarHBondContact N-O 3.4Å; G125-I181 WeakPolarHBondContact O-CA 3.33Å; L126-I181 HydrophobicContact CB-CD1 4.29Å; L126-I181 HydrophobicContact CB-CG1 4.4Å; L126-I181 HydrophobicContact CD1-CB 3.93Å; L126-I181 HydrophobicContact CD1-CD1 4.25Å; L126-I181 HydrophobicContact CD1-CG1 4.4Å; I181-I193 HydrophobicContact CB-CG2 4.38Å; I181-I193 HydrophobicContact CD1-CD1 4.2Å; I181-I193 HydrophobicContact CD1-CG2 4.18Å; I181-I193 HydrophobicContact CG1-CD1 4.09Å; I181-I193 HydrophobicContact CG1-CG2 4.07Å; I181-I193 HydrophobicContact CG2-CG2 3.62Å; I181-A196 HydrophobicContact CD1-CB 3.57Å; I181-M197 HydrophobicContact CG2-CB 4.24Å; I181-M197 HydrophobicContact CG2-CE 3.52Å |
| 182 | G | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 171.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T120 A122 G125 | T120-G182 WeakPolarHBondContact O-CA 3.44Å; A122-G182 CarbonylContact O-C 3.59Å; A122-G182 WeakPolarHBondContact O-CA 3.27Å; G125-G182 WeakPolarHBondContact CA-O 3.32Å; G125-G182 PolarHBondContact N-O 2.92Å; G125-G182 VanDerWaalsContact N-O 3.11Å; G125-G182 PolarHBondContact O-N 2.59Å |
| 183 | P | 98.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 25% | 0.253 | 22% | 0.217 | S | C | . | . | S | Bend | cis | -90.6 | 129.8 | 9.7 | 31.1 | -28.6 | 0 | 0 | 0 | 112.3 | T120 T121 A122 N123 K190 | T120-P183 WeakPolarHBondContact O-CA 3.39Å; T121-P183 WeakPolarHBondContact O-CB 3.41Å; A122-P183 VanDerWaalsContact O-CA 3.23Å; A122-P183 WeakPolarHBondContact O-CA 3.25Å; A122-P183 WeakPolarHBondContact O-CB 3.41Å; N123-P183 HydrophobicContact CB-CG 4.23Å; N123-P183 VanDerWaalsContact OD1-CD 3.26Å; N123-P183 WeakPolarHBondContact OD1-CD 3.39Å; P183-K190 PolarHBondContact O-NZ 3.19Å |
| 184 | Q | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | trans | -136.5 | 125 | 170.6 | -179.5 | 165.9 | -84.9 | 0 | 0 | 109.9 | S27 N119 T120 H186 C188 K190 I193 | S27-Q184 PolarHBondContact OG-NE2 2.84Å; S27-Q184 PolarHBondContact OG-OE1 2.88Å; N119-Q184 PolarHBondContact ND2-NE2 2.9Å; N119-Q184 PolarHBondContact OD1-NE2 3.48Å; T120-Q184 CarbonylContact C-O 3.34Å; T120-Q184 PolarHBondContact O-N 3.06Å; Q184-H186 PolarHBondContact O-N 3.28Å; Q184-C188 VanDerWaalsContact CD-O 3.27Å; Q184-C188 PolarHBondContact NE2-O 3.16Å; Q184-K190 HydrophobicContact CB-CD 4.39Å; Q184-K190 HydrophobicContact CG-CD 4.36Å; Q184-K190 HydrophobicContact CG-CG 4.39Å; Q184-I193 HydrophobicContact CB-CG1 4.45Å; Q184-I193 HydrophobicContact CB-CG2 4.31Å | ||
| 185 | P | 98.5 | Very high | 98.4 | Very high | 72 Ų | 72 | 34.4 Ų | 34.4 | 47% | 0.468 | 21% | 0.209 | S | C | . | . | trans | -59 | 137.2 | 169.8 | -22.6 | 33.6 | 0 | 0 | 0 | 111.2 | C188 | P185-C188 HydrophobicContact CB-CB 4.12Å; P185-C188 VanDerWaalsContact O-CB 3.3Å; P185-C188 WeakPolarHBondContact O-CB 3.46Å; P185-C188 PolarHBondContact O-N 3.24Å; P185-C188 VanDerWaalsContact O-N 3.16Å | ||
| 186 | H | 98.2 | Very high | 98.4 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 145.8 | 172.7 | -62.5 | -16.2 | 0 | 0 | 0 | 110.8 | N24 N119 Q184 C188 E288 C289 | N24-H186 HydrophobicContact CB-CB 4.19Å; N119-H186 PolarHBondContact O-CE1 3.26Å; Q184-H186 PolarHBondContact O-N 3.28Å; H186-C188 PolarHBondContact O-N 2.71Å; H186-E288 IonicContact CD2-OE1 3.67Å; H186-E288 IonicContact CE1-OE1 2.7Å; H186-E288 IonicContact NE2-OE1 3.78Å; H186-E288 PolarHBondContact NE2-OE1 2.89Å; H186-C289 PolarHBondContact CD2-SG 2.91Å; H186-C289 PolarHBondContact NE2-SG 3.46Å |
| 187 | G | 98.3 | Very high | 98.4 | Very high | 39 Ų | 39 | 32.6 Ų | 32.6 | 40% | 0.402 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 6.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N24 L26 | N24-G187 PolarHBondContact O-N 3.45Å; L26-G187 WeakPolarHBondContact CD1-O 3.31Å |
| 188 | C | 97.9 | Very high | 98.4 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | trans | -121.4 | 152.8 | 176.3 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | Q184 P185 H186 | Q184-C188 VanDerWaalsContact CD-O 3.27Å; Q184-C188 PolarHBondContact NE2-O 3.16Å; P185-C188 HydrophobicContact CB-CB 4.12Å; P185-C188 VanDerWaalsContact O-CB 3.3Å; P185-C188 WeakPolarHBondContact O-CB 3.46Å; P185-C188 PolarHBondContact O-N 3.24Å; P185-C188 VanDerWaalsContact O-N 3.16Å; H186-C188 PolarHBondContact O-N 2.71Å | ||
| 189 | V | 97.8 | Very high | 98.4 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | trans | -118 | 121.5 | 170.3 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | L26 Y30 | L26-V189 HydrophobicContact CB-CG2 3.43Å; L26-V189 VanDerWaalsContact CB-CG2 3.43Å; L26-V189 HydrophobicContact CD1-CG2 3.99Å; L26-V189 HydrophobicContact CG-CG2 4.37Å; Y30-V189 HydrophobicContact CD2-CG2 3.57Å; Y30-V189 HydrophobicContact CE2-CG2 3.7Å | ||
| 190 | K | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 41.2 Ų | 41.2 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | trans | -100 | 127.3 | 169.2 | -66.7 | 173.3 | 63.2 | -179.5 | 0 | 108.9 | P183 Q184 N192 I193 Y194 | P183-K190 PolarHBondContact O-NZ 3.19Å; Q184-K190 HydrophobicContact CB-CD 4.39Å; Q184-K190 HydrophobicContact CG-CD 4.36Å; Q184-K190 HydrophobicContact CG-CG 4.39Å; K190-N192 VanDerWaalsContact C-N 3.3Å; K190-N192 WeakPolarHBondContact CB-OD1 3.3Å; K190-N192 PolarHBondContact O-N 3.48Å; K190-I193 HydrophobicContact CB-CB 4.1Å; K190-I193 HydrophobicContact CB-CG1 3.8Å; K190-I193 HydrophobicContact CD-CG1 4.27Å; K190-I193 PolarHBondContact O-N 3.04Å; K190-I193 VanDerWaalsContact O-N 3.17Å; K190-Y194 WeakPolarHBondContact O-CB 3.44Å; K190-Y194 PolarHBondContact O-N 3.34Å | ||
| 191 | S | 98.1 | Very high | 98.4 | Very high | 92 Ų | 92 | 41.3 Ų | 41.3 | 64% | 0.643 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60 | -38.3 | -173.5 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | T195 | S191-T195 VanDerWaalsContact O-CB 3.27Å; S191-T195 WeakPolarHBondContact O-CB 3.46Å; S191-T195 PolarHBondContact O-N 3.23Å; S191-T195 PolarHBondContact O-OG1 2.68Å |
| 192 | N | 97.8 | Very high | 98.3 | Very high | 94 Ų | 94 | 44.9 Ų | 44.9 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 176.8 | 64.2 | -35 | 0 | 0 | 0 | 112.3 | K190 T195 A196 | K190-N192 VanDerWaalsContact C-N 3.3Å; K190-N192 WeakPolarHBondContact CB-OD1 3.3Å; K190-N192 PolarHBondContact O-N 3.48Å; N192-T195 PolarHBondContact O-N 2.69Å; N192-A196 WeakPolarHBondContact O-CB 3.16Å; N192-A196 PolarHBondContact O-N 2.79Å |
| 193 | I | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 176.5 | -59.4 | -62.7 | 0 | 0 | 0 | 110.7 | I181 Q184 K190 T195 A196 M197 | I181-I193 HydrophobicContact CB-CG2 4.38Å; I181-I193 HydrophobicContact CD1-CD1 4.2Å; I181-I193 HydrophobicContact CD1-CG2 4.18Å; I181-I193 HydrophobicContact CG1-CD1 4.09Å; I181-I193 HydrophobicContact CG1-CG2 4.07Å; I181-I193 HydrophobicContact CG2-CG2 3.62Å; Q184-I193 HydrophobicContact CB-CG1 4.45Å; Q184-I193 HydrophobicContact CB-CG2 4.31Å; K190-I193 HydrophobicContact CB-CB 4.1Å; K190-I193 HydrophobicContact CB-CG1 3.8Å; K190-I193 HydrophobicContact CD-CG1 4.27Å; K190-I193 PolarHBondContact O-N 3.04Å; K190-I193 VanDerWaalsContact O-N 3.17Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-T195 PolarHBondContact O-N 3.3Å; I193-A196 PolarHBondContact O-N 2.85Å; I193-M197 WeakPolarHBondContact O-CB 3.31Å; I193-M197 PolarHBondContact O-N 3.3Å |
| 194 | Y | 98.7 | Very high | 98.2 | Very high | 36 Ų | 36 | 44.7 Ų | 44.7 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.9 | -45 | 174.4 | 174.8 | -98.4 | 0 | 0 | 0 | 112.3 | L31 K190 M197 R198 | L31-Y194 HydrophobicContact CB-CE2 3.93Å; K190-Y194 WeakPolarHBondContact O-CB 3.44Å; K190-Y194 PolarHBondContact O-N 3.34Å; Y194-M197 PolarHBondContact O-N 2.88Å; Y194-R198 WeakPolarHBondContact O-CB 3.32Å; Y194-R198 PolarHBondContact O-N 3.11Å |
| 195 | T | 98.3 | Very high | 98.1 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | -179.6 | -62 | 0 | 0 | 0 | 0 | 111.5 | S191 N192 I193 M197 R198 E199 | S191-T195 VanDerWaalsContact O-CB 3.27Å; S191-T195 WeakPolarHBondContact O-CB 3.46Å; S191-T195 PolarHBondContact O-N 3.23Å; S191-T195 PolarHBondContact O-OG1 2.68Å; N192-T195 PolarHBondContact O-N 2.69Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-T195 PolarHBondContact O-N 3.3Å; T195-M197 PolarHBondContact O-N 3.11Å; T195-R198 PolarHBondContact O-N 2.8Å; T195-E199 HydrophobicContact CG2-CG 4.48Å; T195-E199 WeakPolarHBondContact CG2-OE1 3.5Å; T195-E199 WeakPolarHBondContact O-CG 3.35Å; T195-E199 PolarHBondContact O-N 3.02Å |
| 196 | A | 98.4 | Very high | 98 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M149 I181 N192 I193 E199 G200 | M149-A196 HydrophobicContact CE-CB 4.32Å; M149-A196 WeakPolarHBondContact CE-O 3.48Å; I181-A196 HydrophobicContact CD1-CB 3.57Å; N192-A196 WeakPolarHBondContact O-CB 3.16Å; N192-A196 PolarHBondContact O-N 2.79Å; I193-A196 PolarHBondContact O-N 2.85Å; A196-E199 PolarHBondContact O-N 3.48Å; A196-G200 PolarHBondContact O-N 2.92Å |
| 197 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.1 | -176.9 | -178.1 | -78.1 | 0 | 0 | 111.7 | S27 G28 L31 L117 H118 M179 I181 I193 Y194 T195 E199 G200 V201 | S27-M197 VanDerWaalsContact CB-SD 3.54Å; G28-M197 PolarHBondContact N-SD 3.5Å; G28-M197 VanDerWaalsContact N-SD 3.4Å; L31-M197 HydrophobicContact CD2-CG 4.19Å; L117-M197 HydrophobicContact CB-CE 4.21Å; L117-M197 HydrophobicContact CB-SD 3.9Å; L117-M197 HydrophobicContact CD1-CG 4.48Å; L117-M197 HydrophobicContact CD1-SD 3.98Å; L117-M197 HydrophobicContact CD2-CG 4.22Å; L117-M197 HydrophobicContact CD2-SD 4.33Å; L117-M197 HydrophobicContact CG-SD 4.3Å; H118-M197 WeakPolarHBondContact O-CE 3.41Å; M179-M197 HydrophobicContact SD-CG 4.39Å; I181-M197 HydrophobicContact CG2-CB 4.24Å; I181-M197 HydrophobicContact CG2-CE 3.52Å; I193-M197 WeakPolarHBondContact O-CB 3.31Å; I193-M197 PolarHBondContact O-N 3.3Å; Y194-M197 PolarHBondContact O-N 2.88Å; T195-M197 PolarHBondContact O-N 3.11Å; M197-E199 PolarHBondContact O-N 3.47Å; M197-G200 PolarHBondContact O-N 3.29Å; M197-V201 WeakPolarHBondContact O-CG2 3.46Å; M197-V201 PolarHBondContact O-N 3.42Å |
| 198 | R | 98.3 | Very high | 97.9 | Very high | 108 Ų | 108 | 44.4 Ų | 44.4 | 41% | 0.408 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 177.3 | -178.1 | -175.2 | 69 | -148.9 | -5 | 111.7 | L31 Y194 T195 V201 Q202 | L31-R198 HydrophobicContact CD1-CB 4Å; L31-R198 HydrophobicContact CD1-CG 3.78Å; L31-R198 HydrophobicContact CD2-CB 4.34Å; Y194-R198 WeakPolarHBondContact O-CB 3.32Å; Y194-R198 PolarHBondContact O-N 3.11Å; T195-R198 PolarHBondContact O-N 2.8Å; R198-V201 PolarHBondContact O-N 3.15Å; R198-Q202 WeakPolarHBondContact O-CB 3.19Å; R198-Q202 PolarHBondContact O-N 3.45Å |
| 199 | E | 98.2 | Very high | 97.7 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.7 | -74.7 | 172.2 | -174.9 | 0 | 0 | 111.6 | M149 T195 A196 M197 V201 Q202 H203 | M149-E199 HydrophobicContact CE-CB 3.94Å; M149-E199 HydrophobicContact SD-CB 4.42Å; T195-E199 HydrophobicContact CG2-CG 4.48Å; T195-E199 WeakPolarHBondContact CG2-OE1 3.5Å; T195-E199 WeakPolarHBondContact O-CG 3.35Å; T195-E199 PolarHBondContact O-N 3.02Å; A196-E199 PolarHBondContact O-N 3.48Å; M197-E199 PolarHBondContact O-N 3.47Å; E199-V201 PolarHBondContact O-N 3.21Å; E199-Q202 PolarHBondContact O-N 3.41Å; E199-Q202 VanDerWaalsContact O-N 3.17Å; E199-H203 PolarHBondContact O-CD2 3.42Å; E199-H203 PolarHBondContact O-N 3.42Å |
| 200 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A196 M197 H203 M204 | A196-G200 PolarHBondContact O-N 2.92Å; M197-G200 PolarHBondContact O-N 3.29Å; G200-H203 PolarHBondContact O-N 2.99Å; G200-M204 WeakPolarHBondContact O-CB 3.38Å; G200-M204 PolarHBondContact O-N 2.95Å |
| 201 | V | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | V17 L31 L117 M179 M197 R198 E199 M204 R205 | V17-V201 HydrophobicContact CG1-CG1 4.28Å; V17-V201 HydrophobicContact CG1-CG2 4.36Å; V17-V201 HydrophobicContact CG2-CG1 4.09Å; L31-V201 HydrophobicContact CD2-CB 4.21Å; L31-V201 HydrophobicContact CD2-CG2 3.84Å; L117-V201 HydrophobicContact CD1-CG2 4.25Å; L117-V201 HydrophobicContact CD2-CG2 3.63Å; M179-V201 HydrophobicContact CE-CG2 4.29Å; M179-V201 HydrophobicContact SD-CG2 4.17Å; M197-V201 WeakPolarHBondContact O-CG2 3.46Å; M197-V201 PolarHBondContact O-N 3.42Å; R198-V201 PolarHBondContact O-N 3.15Å; E199-V201 PolarHBondContact O-N 3.21Å; V201-M204 HydrophobicContact CG1-CE 4.3Å; V201-M204 PolarHBondContact O-N 2.97Å; V201-R205 PolarHBondContact O-N 3.14Å |
| 202 | Q | 97.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 38% | 0.379 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 177.1 | -178.6 | 57.7 | 50.4 | 0 | 0 | 111.5 | R198 E199 M204 R205 D206 | R198-Q202 WeakPolarHBondContact O-CB 3.19Å; R198-Q202 PolarHBondContact O-N 3.45Å; E199-Q202 PolarHBondContact O-N 3.41Å; E199-Q202 VanDerWaalsContact O-N 3.17Å; Q202-M204 VanDerWaalsContact C-N 3.33Å; Q202-M204 PolarHBondContact O-N 3.04Å; Q202-R205 WeakPolarHBondContact O-CB 3.42Å; Q202-R205 PolarHBondContact O-N 2.8Å; Q202-R205 VanDerWaalsContact O-N 3.16Å; Q202-D206 VanDerWaalsContact NE2-CG 3.29Å; Q202-D206 PolarHBondContact NE2-OD1 3.06Å; Q202-D206 PolarHBondContact NE2-OD2 2.98Å; Q202-D206 VanDerWaalsContact NE2-OD2 3.16Å; Q202-D206 VanDerWaalsContact O-CG 3.25Å; Q202-D206 PolarHBondContact O-N 3.4Å |
| 203 | H | 98.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 36 Ų | 36 | 17% | 0.171 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | 177.2 | -71.1 | -47.2 | 0 | 0 | 0 | 113.1 | H144 L145 E199 G200 D206 W207 | H144-H203 PolarHBondContact CD2-O 2.98Å; L145-H203 HydrophobicContact CD1-CB 3.69Å; L145-H203 HydrophobicContact CG-CB 3.81Å; E199-H203 PolarHBondContact O-CD2 3.42Å; E199-H203 PolarHBondContact O-N 3.42Å; G200-H203 PolarHBondContact O-N 2.99Å; H203-D206 PolarHBondContact O-N 2.82Å; H203-W207 VanDerWaalsContact O-CB 3.31Å; H203-W207 WeakPolarHBondContact O-CB 3.3Å; H203-W207 PolarHBondContact O-N 2.95Å |
| 204 | M | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 171.9 | 173.5 | -84 | -65.8 | 0 | 0 | 110.7 | V15 V17 L113 C115 I141 L145 F177 G200 V201 Q202 D206 W207 V208 | V15-M204 HydrophobicContact CG1-SD 4.16Å; V17-M204 HydrophobicContact CG2-CE 3.53Å; L113-M204 HydrophobicContact CD2-CG 4.37Å; L113-M204 HydrophobicContact CD2-SD 4.03Å; C115-M204 HydrophobicContact CB-CE 3.86Å; I141-M204 HydrophobicContact CD1-CG 4.37Å; I141-M204 HydrophobicContact CG2-CB 3.99Å; I141-M204 HydrophobicContact CG2-CG 3.88Å; L145-M204 HydrophobicContact CD1-CB 4.42Å; F177-M204 HydrophobicContact CZ-CG 4.11Å; G200-M204 WeakPolarHBondContact O-CB 3.38Å; G200-M204 PolarHBondContact O-N 2.95Å; V201-M204 HydrophobicContact CG1-CE 4.3Å; V201-M204 PolarHBondContact O-N 2.97Å; Q202-M204 VanDerWaalsContact C-N 3.33Å; Q202-M204 PolarHBondContact O-N 3.04Å; M204-D206 PolarHBondContact O-N 2.75Å; M204-W207 WeakPolarHBondContact O-CB 3.42Å; M204-W207 PolarHBondContact O-N 2.96Å; M204-V208 WeakPolarHBondContact O-CG2 3.23Å; M204-V208 PolarHBondContact O-N 3.26Å; M204-V208 HydrophobicContact SD-CG2 4.13Å |
| 205 | R | 95.8 | Very high | 96.7 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 26% | 0.26 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.4 | -178.1 | -170.9 | 177.6 | 170.7 | 5.7 | 112 | L50 V201 Q202 W207 V208 S209 | L50-R205 HydrophobicContact CD2-CG 4.31Å; V201-R205 PolarHBondContact O-N 3.14Å; Q202-R205 WeakPolarHBondContact O-CB 3.42Å; Q202-R205 PolarHBondContact O-N 2.8Å; Q202-R205 VanDerWaalsContact O-N 3.16Å; R205-W207 VanDerWaalsContact C-N 3.31Å; R205-W207 PolarHBondContact O-N 2.78Å; R205-V208 PolarHBondContact O-N 3.39Å; R205-S209 WeakPolarHBondContact O-CB 3.46Å; R205-S209 PolarHBondContact O-N 2.87Å |
| 206 | D | 95.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 179.1 | -67.1 | -25.4 | 0 | 0 | 0 | 111.1 | Q202 H203 M204 S209 C210 | Q202-D206 VanDerWaalsContact NE2-CG 3.29Å; Q202-D206 PolarHBondContact NE2-OD1 3.06Å; Q202-D206 PolarHBondContact NE2-OD2 2.98Å; Q202-D206 VanDerWaalsContact NE2-OD2 3.16Å; Q202-D206 VanDerWaalsContact O-CG 3.25Å; Q202-D206 PolarHBondContact O-N 3.4Å; H203-D206 PolarHBondContact O-N 2.82Å; M204-D206 PolarHBondContact O-N 2.75Å; D206-S209 PolarHBondContact O-N 2.82Å; D206-C210 PolarHBondContact O-N 3.5Å |
| 207 | W | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 174 | -175.6 | 90.3 | 0 | 0 | 0 | 111.8 | L12 V137 H140 I141 H144 H203 M204 R205 S209 C210 F211 F217 I311 | L12-W207 HydrophobicContact CD1-CZ3 3.74Å; V137-W207 HydrophobicContact CG1-CH2 4.02Å; V137-W207 HydrophobicContact CG1-CZ3 3.95Å; H140-W207 HydrophobicContact CB-CH2 4.45Å; H140-W207 HydrophobicContact CB-CZ2 3.53Å; I141-W207 HydrophobicContact CD1-CE3 3.78Å; I141-W207 HydrophobicContact CD1-CZ3 3.83Å; I141-W207 HydrophobicContact CG1-CD2 3.5Å; I141-W207 VanDerWaalsContact CG1-CD2 3.5Å; I141-W207 HydrophobicContact CG1-CE3 3.22Å; I141-W207 HydrophobicContact CG1-CG 4.14Å; I141-W207 HydrophobicContact CG1-CH2 4.13Å; I141-W207 HydrophobicContact CG1-CZ2 4.36Å; I141-W207 HydrophobicContact CG1-CZ3 3.56Å; H144-W207 VanDerWaalsContact CB-CD1 3.44Å; H144-W207 HydrophobicContact CB-CG 4.21Å; H144-W207 AromaticContact CG-CD1 3.55Å; H144-W207 AromaticContact ND1-CD1 3.87Å; H203-W207 VanDerWaalsContact O-CB 3.31Å; H203-W207 WeakPolarHBondContact O-CB 3.3Å; H203-W207 PolarHBondContact O-N 2.95Å; M204-W207 WeakPolarHBondContact O-CB 3.42Å; M204-W207 PolarHBondContact O-N 2.96Å; R205-W207 VanDerWaalsContact C-N 3.31Å; R205-W207 PolarHBondContact O-N 2.78Å; W207-S209 VanDerWaalsContact C-N 3.32Å; W207-S209 PolarHBondContact O-N 2.98Å; W207-C210 PolarHBondContact O-N 3.15Å; W207-F211 HydrophobicContact CE3-CB 4.37Å; W207-F211 HydrophobicContact CH2-CB 4.19Å; W207-F211 HydrophobicContact CH2-CD1 4.5Å; W207-F211 HydrophobicContact CH2-CD2 4.2Å; W207-F211 HydrophobicContact CH2-CG 4.02Å; W207-F211 HydrophobicContact CZ2-CB 4.48Å; W207-F211 HydrophobicContact CZ2-CD2 4.42Å; W207-F211 HydrophobicContact CZ3-CB 4.14Å; W207-F211 HydrophobicContact CZ3-CG 4.26Å; W207-F211 WeakPolarHBondContact O-CB 3.37Å; W207-F211 PolarHBondContact O-N 2.92Å; W207-F217 AromaticContact CD1-CD1 3.89Å; W207-F217 AromaticContact CD1-CE1 3.21Å; W207-F217 AromaticContact CD1-CZ 3.45Å; W207-F217 VanDerWaalsContact CD1-CZ 3.45Å; W207-F217 HydrophobicContact CD2-CZ 4.38Å; W207-F217 AromaticContact CE2-CZ 3.96Å; W207-F217 HydrophobicContact CG-CE1 4.25Å; W207-F217 HydrophobicContact CG-CZ 4.1Å; W207-F217 HydrophobicContact CZ2-CD2 4.25Å; W207-F217 HydrophobicContact CZ2-CE2 4.36Å; W207-F217 HydrophobicContact CZ2-CG 4.45Å; W207-F217 AromaticContact NE1-CD1 3.3Å; W207-F217 VanDerWaalsContact NE1-CD1 3.3Å; W207-F217 AromaticContact NE1-CE1 3.09Å; W207-F217 AromaticContact NE1-CE2 3.84Å; W207-F217 AromaticContact NE1-CG 3.77Å; W207-F217 AromaticContact NE1-CZ 3.37Å; W207-I311 HydrophobicContact CH2-CD1 4.18Å; W207-I311 HydrophobicContact CZ2-CD1 3.96Å |
| 208 | V | 96.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 177.5 | 167.9 | 0 | 0 | 0 | 0 | 111 | L12 V15 A48 L113 M204 R205 F211 N212 | L12-V208 HydrophobicContact CB-CG1 4.13Å; L12-V208 HydrophobicContact CD1-CG2 4.11Å; V15-V208 HydrophobicContact CG2-CG1 4Å; V15-V208 HydrophobicContact CG2-CG2 4.43Å; A48-V208 HydrophobicContact CB-CG1 4Å; L113-V208 HydrophobicContact CD2-CG2 4Å; M204-V208 WeakPolarHBondContact O-CG2 3.23Å; M204-V208 PolarHBondContact O-N 3.26Å; M204-V208 HydrophobicContact SD-CG2 4.13Å; R205-V208 PolarHBondContact O-N 3.39Å; V208-F211 PolarHBondContact O-N 3.13Å; V208-N212 WeakPolarHBondContact O-CB 3.41Å; V208-N212 VanDerWaalsContact O-CG 3.31Å; V208-N212 PolarHBondContact O-N 2.97Å |
| 209 | S | 94.7 | Very high | 96.3 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 178.9 | -172 | 0 | 0 | 0 | 0 | 112 | R205 D206 W207 S213 | R205-S209 WeakPolarHBondContact O-CB 3.46Å; R205-S209 PolarHBondContact O-N 2.87Å; D206-S209 PolarHBondContact O-N 2.82Å; W207-S209 VanDerWaalsContact C-N 3.32Å; W207-S209 PolarHBondContact O-N 2.98Å; S209-S213 WeakPolarHBondContact O-CB 3.44Å; S209-S213 PolarHBondContact O-N 3.42Å; S209-S213 VanDerWaalsContact O-N 3.15Å; S209-S213 PolarHBondContact O-OG 3.4Å |
| 210 | C | 95.3 | Very high | 96.2 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 34% | 0.338 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.1 | -47.7 | 176.8 | -163.3 | 0 | 0 | 0 | 0 | 110.9 | D206 W207 N212 S213 G214 C215 F217 | D206-C210 PolarHBondContact O-N 3.5Å; W207-C210 PolarHBondContact O-N 3.15Å; C210-N212 VanDerWaalsContact C-N 3.35Å; C210-N212 PolarHBondContact O-N 2.96Å; C210-S213 WeakPolarHBondContact O-CA 3.14Å; C210-S213 WeakPolarHBondContact O-CB 3.17Å; C210-S213 PolarHBondContact O-N 2.85Å; C210-G214 PolarHBondContact O-N 2.96Å; C210-C215 WeakPolarHBondContact CA-SG 3.24Å; C210-C215 HydrophobicContact CB-CB 4Å; C210-C215 WeakPolarHBondContact CB-SG 3.29Å; C210-C215 WeakPolarHBondContact O-CB 3.47Å; C210-C215 PolarHBondContact O-N 2.93Å; C210-C215 VanDerWaalsContact O-N 3.11Å; C210-C215 PolarHBondContact O-SG 3.42Å; C210-C215 WeakPolarHBondContact SG-CB 3.36Å; C210-C215 CovalentContact SG-SG 2.06Å; C210-C215 PolarHBondContact SG-SG 3.39Å; C210-F217 HydrophobicContact CB-CE2 4.46Å; C210-F217 HydrophobicContact CB-CZ 3.99Å |
| 211 | F | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.2 | -50.2 | 178.2 | 178.7 | -103.8 | 0 | 0 | 0 | 111.5 | L9 L12 W207 V208 S213 G214 F217 I311 V313 | L9-F211 HydrophobicContact CB-CZ 3.94Å; L12-F211 HydrophobicContact CD1-CD1 4.25Å; L12-F211 HydrophobicContact CG-CD1 4.21Å; L12-F211 HydrophobicContact CG-CE1 4.28Å; W207-F211 HydrophobicContact CE3-CB 4.37Å; W207-F211 HydrophobicContact CH2-CB 4.19Å; W207-F211 HydrophobicContact CH2-CD1 4.5Å; W207-F211 HydrophobicContact CH2-CD2 4.2Å; W207-F211 HydrophobicContact CH2-CG 4.02Å; W207-F211 HydrophobicContact CZ2-CB 4.48Å; W207-F211 HydrophobicContact CZ2-CD2 4.42Å; W207-F211 HydrophobicContact CZ3-CB 4.14Å; W207-F211 HydrophobicContact CZ3-CG 4.26Å; W207-F211 WeakPolarHBondContact O-CB 3.37Å; W207-F211 PolarHBondContact O-N 2.92Å; V208-F211 PolarHBondContact O-N 3.13Å; F211-S213 PolarHBondContact O-N 3.32Å; F211-S213 VanDerWaalsContact O-N 3.13Å; F211-G214 PolarHBondContact O-N 3.46Å; F211-G214 VanDerWaalsContact O-N 3.09Å; F211-F217 HydrophobicContact CB-CD2 4.46Å; F211-F217 HydrophobicContact CB-CE2 3.77Å; F211-F217 HydrophobicContact CD2-CD2 4.08Å; F211-F217 HydrophobicContact CD2-CE2 4.22Å; F211-I311 HydrophobicContact CD2-CD1 4.31Å; F211-I311 HydrophobicContact CE2-CD1 4Å; F211-I311 HydrophobicContact CE2-CG1 4.27Å; F211-V313 HydrophobicContact CD1-CG2 4.49Å; F211-V313 HydrophobicContact CE1-CB 4.03Å; F211-V313 HydrophobicContact CE1-CG2 3.89Å; F211-V313 HydrophobicContact CE2-CB 4.23Å; F211-V313 HydrophobicContact CZ-CB 3.85Å; F211-V313 HydrophobicContact CZ-CG2 4.12Å; F211-V313 WeakPolarHBondContact O-CB 3.45Å; F211-V313 WeakPolarHBondContact O-CG1 3.32Å |
| 212 | N | 94.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -11.4 | 177.9 | -72 | -7.6 | 0 | 0 | 0 | 114.5 | R11 L12 P47 V208 C210 | R11-N212 HydrophobicContact CG-CB 4.01Å; R11-N212 VanDerWaalsContact CG-CG 3.45Å; R11-N212 VanDerWaalsContact CG-OD1 3.23Å; R11-N212 WeakPolarHBondContact CG-OD1 3.29Å; R11-N212 PolarHBondContact NH2-O 3.4Å; L12-N212 PolarHBondContact N-OD1 3.32Å; L12-N212 PolarHBondContact O-ND2 3.49Å; P47-N212 HydrophobicContact CB-CB 4.39Å; V208-N212 WeakPolarHBondContact O-CB 3.41Å; V208-N212 VanDerWaalsContact O-CG 3.31Å; V208-N212 PolarHBondContact O-N 2.97Å; C210-N212 VanDerWaalsContact C-N 3.35Å; C210-N212 PolarHBondContact O-N 2.96Å |
| 213 | S | 93.3 | Very high | 96.1 | Very high | 84 Ų | 84 | 39.7 Ų | 39.7 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 4 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | S209 C210 F211 | S209-S213 WeakPolarHBondContact O-CB 3.44Å; S209-S213 PolarHBondContact O-N 3.42Å; S209-S213 VanDerWaalsContact O-N 3.15Å; S209-S213 PolarHBondContact O-OG 3.4Å; C210-S213 WeakPolarHBondContact O-CA 3.14Å; C210-S213 WeakPolarHBondContact O-CB 3.17Å; C210-S213 PolarHBondContact O-N 2.85Å; F211-S213 PolarHBondContact O-N 3.32Å; F211-S213 VanDerWaalsContact O-N 3.13Å |
| 214 | G | 93.7 | Very high | 96.1 | Very high | 32 Ų | 32 | 38 Ų | 38 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 17.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | C210 F211 V216 H312 | C210-G214 PolarHBondContact O-N 2.96Å; F211-G214 PolarHBondContact O-N 3.46Å; F211-G214 VanDerWaalsContact O-N 3.09Å; G214-V216 PolarHBondContact O-N 2.98Å; G214-H312 WeakPolarHBondContact CA-NE2 3.44Å; G214-H312 PolarHBondContact O-CD2 2.81Å; G214-H312 VanDerWaalsContact O-CD2 3.26Å; G214-H312 PolarHBondContact O-NE2 3.1Å |
| 215 | C | 94.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | trans | -66.3 | 129.5 | 171.8 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | C210 F217 | C210-C215 WeakPolarHBondContact CA-SG 3.24Å; C210-C215 HydrophobicContact CB-CB 4Å; C210-C215 WeakPolarHBondContact CB-SG 3.29Å; C210-C215 WeakPolarHBondContact O-CB 3.47Å; C210-C215 PolarHBondContact O-N 2.93Å; C210-C215 VanDerWaalsContact O-N 3.11Å; C210-C215 PolarHBondContact O-SG 3.42Å; C210-C215 WeakPolarHBondContact SG-CB 3.36Å; C210-C215 CovalentContact SG-SG 2.06Å; C210-C215 PolarHBondContact SG-SG 3.39Å; C215-F217 HydrophobicContact CB-CD2 4.4Å; C215-F217 HydrophobicContact CB-CE2 3.79Å; C215-F217 HydrophobicContact CB-CZ 4.26Å | ||
| 216 | V | 95.9 | Very high | 96.3 | Very high | 72 Ų | 72 | 35.6 Ų | 35.6 | 44% | 0.436 | 22% | 0.224 | S | C | . | . | trans | -80.5 | 129.3 | 166.3 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | P6 G214 I311 H312 | P6-V216 HydrophobicContact CB-CG1 4.3Å; P6-V216 HydrophobicContact CG-CG1 3.93Å; G214-V216 PolarHBondContact O-N 2.98Å; V216-I311 WeakPolarHBondContact CA-O 3.42Å; V216-H312 HydrophobicContact CG2-CB 4.25Å | ||
| 217 | F | 96.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 34.1 Ų | 34.1 | 13% | 0.127 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -105.9 | 114.2 | 173.3 | -73.7 | -88.3 | 0 | 0 | 0 | 109.9 | W207 C210 F211 C215 S310 I311 | W207-F217 AromaticContact CD1-CD1 3.89Å; W207-F217 AromaticContact CD1-CE1 3.21Å; W207-F217 AromaticContact CD1-CZ 3.45Å; W207-F217 VanDerWaalsContact CD1-CZ 3.45Å; W207-F217 HydrophobicContact CD2-CZ 4.38Å; W207-F217 AromaticContact CE2-CZ 3.96Å; W207-F217 HydrophobicContact CG-CE1 4.25Å; W207-F217 HydrophobicContact CG-CZ 4.1Å; W207-F217 HydrophobicContact CZ2-CD2 4.25Å; W207-F217 HydrophobicContact CZ2-CE2 4.36Å; W207-F217 HydrophobicContact CZ2-CG 4.45Å; W207-F217 AromaticContact NE1-CD1 3.3Å; W207-F217 VanDerWaalsContact NE1-CD1 3.3Å; W207-F217 AromaticContact NE1-CE1 3.09Å; W207-F217 AromaticContact NE1-CE2 3.84Å; W207-F217 AromaticContact NE1-CG 3.77Å; W207-F217 AromaticContact NE1-CZ 3.37Å; C210-F217 HydrophobicContact CB-CE2 4.46Å; C210-F217 HydrophobicContact CB-CZ 3.99Å; F211-F217 HydrophobicContact CB-CD2 4.46Å; F211-F217 HydrophobicContact CB-CE2 3.77Å; F211-F217 HydrophobicContact CD2-CD2 4.08Å; F211-F217 HydrophobicContact CD2-CE2 4.22Å; C215-F217 HydrophobicContact CB-CD2 4.4Å; C215-F217 HydrophobicContact CB-CE2 3.79Å; C215-F217 HydrophobicContact CB-CZ 4.26Å; F217-S310 CarbonylContact O-C 3.53Å; F217-S310 WeakPolarHBondContact O-CA 3.28Å; F217-I311 HydrophobicContact CB-CG1 3.93Å; F217-I311 PolarHBondContact N-O 3.43Å; F217-I311 PolarHBondContact O-N 3.29Å |
| 218 | E | 96.6 | Very high | 96.4 | Very high | 127 Ų | 127 | 36.9 Ų | 36.9 | 59% | 0.593 | 23% | 0.232 | S | C | * | . | trans | -62.9 | 138.8 | 178.7 | -67 | -54.6 | 147.6 | 0 | 0 | 112.1 | H140 R143 S310 | H140-E218 PolarHBondContact CE1-O 2.91Å; R143-E218 PolarHBondContact NH1-O 3.04Å; E218-S310 WeakPolarHBondContact CA-OG 3.19Å; E218-S310 PolarHBondContact OE2-OG 3.44Å | ||
| 219 | G | 95.5 | Very high | 96.4 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | trans | -63.9 | -178.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R143 V308 P309 S310 | R143-G219 PolarHBondContact NH1-O 3.42Å; R143-G219 PolarHBondContact NH2-O 3Å; G219-V308 CarbonylContact C-O 3.57Å; G219-V308 WeakPolarHBondContact CA-O 3.47Å; G219-P309 VanDerWaalsContact CA-C 3.49Å; G219-P309 WeakPolarHBondContact CA-O 3.42Å; G219-S310 PolarHBondContact N-OG 3.33Å | ||
| 220 | G | 96.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | 179.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V308 | G220-V308 PolarHBondContact N-O 2.98Å; G220-V308 VanDerWaalsContact O-CG2 3.28Å; G220-V308 WeakPolarHBondContact O-CG2 3.21Å; G220-V308 PolarHBondContact O-N 3.43Å |
| 221 | P | 97.3 | Very high | 96.7 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 51% | 0.506 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 146 | -178.1 | 30.6 | -34.4 | 0 | 0 | 0 | 112.1 | R305 V306 | P221-R305 HydrophobicContact CB-CG 3.91Å; P221-V306 CarbonylContact C-O 3.56Å; P221-V306 VanDerWaalsContact CA-O 3.31Å; P221-V306 WeakPolarHBondContact CA-O 3.03Å |
| 222 | V | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.7 | 167.6 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | L139 F142 R143 V224 R305 V306 V308 | L139-V222 HydrophobicContact CD2-CB 4.31Å; L139-V222 HydrophobicContact CD2-CG1 4Å; L139-V222 HydrophobicContact CD2-CG2 4.45Å; F142-V222 HydrophobicContact CD1-CG1 3.72Å; F142-V222 HydrophobicContact CE1-CG1 3.76Å; R143-V222 HydrophobicContact CG-CG2 3.45Å; R143-V222 VanDerWaalsContact CG-CG2 3.45Å; V222-V224 HydrophobicContact CG1-CG2 4.09Å; V222-R305 WeakPolarHBondContact O-CA 3.34Å; V222-V306 HydrophobicContact CB-CG2 3.9Å; V222-V306 PolarHBondContact N-O 2.92Å; V222-V306 PolarHBondContact O-N 2.74Å; V222-V308 HydrophobicContact CG2-CG1 4.4Å; V222-V308 HydrophobicContact CG2-CG2 4.46Å |
| 223 | D | 98.1 | Very high | 97 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 120.7 | 170.1 | -75.7 | -10.6 | 0 | 0 | 0 | 109 | K303 R304 R305 | D223-K303 VanDerWaalsContact CB-CE 3.48Å; D223-K303 WeakPolarHBondContact OD2-CE 3.31Å; D223-K303 IonicContact OD2-NZ 2.95Å; D223-K303 PolarHBondContact OD2-NZ 3.31Å; D223-R304 CarbonylContact C-O 3.53Å; D223-R304 WeakPolarHBondContact CA-O 3.26Å; D223-R305 IonicContact OD1-CZ 3.73Å; D223-R305 IonicContact OD1-NE 3.76Å; D223-R305 PolarHBondContact OD1-NE 3.47Å; D223-R305 IonicContact OD1-NH2 2.81Å; D223-R305 PolarHBondContact OD1-NH2 3.34Å; D223-R305 IonicContact OD2-NH2 3.53Å |
| 224 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.5 | -176.7 | 172.7 | 0 | 0 | 0 | 0 | 109.9 | D133 L139 F156 H158 V222 K303 R304 V306 | D133-V224 HydrophobicContact CB-CG1 4.22Å; L139-V224 HydrophobicContact CD2-CG2 4.24Å; F156-V224 HydrophobicContact CB-CG2 4.35Å; F156-V224 HydrophobicContact CD1-CB 4.46Å; F156-V224 HydrophobicContact CD1-CG1 3.97Å; F156-V224 HydrophobicContact CD1-CG2 3.89Å; F156-V224 HydrophobicContact CG-CG2 4.35Å; H158-V224 HydrophobicContact CB-CG1 3.53Å; V222-V224 HydrophobicContact CG1-CG2 4.09Å; V224-K303 CarbonylContact O-C 3.58Å; V224-K303 WeakPolarHBondContact O-CA 3.27Å; V224-R304 PolarHBondContact N-O 3.41Å; V224-R304 PolarHBondContact O-N 2.85Å; V224-V306 HydrophobicContact CG2-CG1 4.35Å; V224-V306 HydrophobicContact CG2-CG2 3.76Å |
| 225 | F | 98.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 94 | 174.8 | -66.5 | -97.7 | 0 | 0 | 0 | 108.8 | R155 F156 I157 H158 F255 Y282 A301 K303 | R155-F225 HydrophobicContact CB-CD2 4.08Å; R155-F225 HydrophobicContact CB-CE2 4.04Å; R155-F225 HydrophobicContact CG-CD2 4.3Å; R155-F225 HydrophobicContact CG-CE2 3.77Å; R155-F225 HydrophobicContact CG-CZ 4.36Å; F156-F225 PolarHBondContact O-N 2.97Å; I157-F225 WeakPolarHBondContact CA-O 3.49Å; H158-F225 PolarHBondContact N-O 3.45Å; F225-F255 HydrophobicContact CB-CE1 4.45Å; F225-F255 AromaticContact CD1-CD1 3.82Å; F225-F255 HydrophobicContact CD1-CD1 3.82Å; F225-F255 HydrophobicContact CD1-CE1 4.36Å; F225-F255 HydrophobicContact CD2-CD1 4.42Å; F225-F255 HydrophobicContact CD2-CE1 4.49Å; F225-F255 HydrophobicContact CE1-CB 4.44Å; F225-F255 AromaticContact CE1-CD1 3.93Å; F225-F255 HydrophobicContact CE1-CD1 3.93Å; F225-F255 HydrophobicContact CG-CD1 4.07Å; F225-F255 HydrophobicContact CG-CE1 4.18Å; F225-F255 HydrophobicContact CZ-CD1 4.29Å; F225-Y282 HydrophobicContact CD1-CD2 4.23Å; F225-Y282 AromaticContact CD1-CG 3.97Å; F225-Y282 HydrophobicContact CD1-CG 3.97Å; F225-Y282 AromaticContact CE1-CD1 3.8Å; F225-Y282 HydrophobicContact CE1-CD1 3.8Å; F225-Y282 HydrophobicContact CE1-CD2 4.04Å; F225-Y282 HydrophobicContact CE1-CE1 4.23Å; F225-Y282 HydrophobicContact CE1-CE2 4.46Å; F225-Y282 AromaticContact CE1-CG 3.67Å; F225-Y282 HydrophobicContact CE1-CG 3.67Å; F225-A301 HydrophobicContact CB-CB 3.93Å; F225-K303 HydrophobicContact CD1-CB 4.28Å; F225-K303 HydrophobicContact CE1-CB 4.14Å; F225-K303 HydrophobicContact CE1-CD 4.26Å; F225-K303 HydrophobicContact CE1-CG 4.21Å; F225-K303 HydrophobicContact CZ-CD 4.07Å; F225-K303 HydrophobicContact CZ-CG 4.24Å |
| 226 | T | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.3 | 179 | -50 | 0 | 0 | 0 | 0 | 109.8 | H158 D160 A301 R302 | H158-T226 HydrophobicContact CB-CG2 4.49Å; H158-T226 WeakPolarHBondContact O-CA 3Å; D160-T226 HydrophobicContact CB-CG2 4.26Å; T226-A301 CarbonylContact O-C 3.4Å; T226-A301 WeakPolarHBondContact O-CA 3.48Å; T226-A301 WeakPolarHBondContact O-CB 3.34Å; T226-R302 PolarHBondContact N-O 3.4Å; T226-R302 PolarHBondContact O-N 3.31Å |
| 227 | M | 97.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 44 Ų | 44 | 20% | 0.197 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 137.8 | 178.8 | -172.5 | 178.8 | -178.3 | 0 | 0 | 111 | H158 F159 N230 F284 | H158-M227 PolarHBondContact O-N 3.17Å; F159-M227 HydrophobicContact CD1-CB 3.89Å; F159-M227 HydrophobicContact CD1-CG 4.44Å; F159-M227 HydrophobicContact CD1-SD 3.73Å; F159-M227 HydrophobicContact CD2-SD 4.41Å; F159-M227 HydrophobicContact CE1-CB 4.18Å; F159-M227 HydrophobicContact CE1-CG 4.37Å; F159-M227 HydrophobicContact CE1-SD 3.51Å; F159-M227 VanDerWaalsContact CE1-SD 3.51Å; F159-M227 HydrophobicContact CE2-SD 4.22Å; F159-M227 HydrophobicContact CG-SD 4.19Å; F159-M227 HydrophobicContact CZ-SD 3.78Å; M227-N230 VanDerWaalsContact CE-CG 3.46Å; M227-N230 WeakPolarHBondContact CE-OD1 3.3Å; M227-F284 HydrophobicContact CB-CZ 4.35Å; M227-F284 HydrophobicContact CG-CZ 4.17Å |
| 228 | V | 97.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 35% | 0.345 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -51.9 | 178 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | L281 L300 R302 | V228-L281 HydrophobicContact CB-CD1 4.36Å; V228-L281 HydrophobicContact CG1-CD1 4.29Å; V228-L281 HydrophobicContact CG2-CD1 4.47Å; V228-L281 HydrophobicContact CG2-CD2 4.16Å; V228-L300 PolarHBondContact N-O 3.4Å; V228-R302 HydrophobicContact CG2-CB 4.09Å |
| 229 | K | 97 | Very high | 97.5 | Very high | 102 Ų | 102 | 49 Ų | 49 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 162 | -179.3 | 62.6 | -176.4 | 178.5 | -175.6 | 0 | 112.5 | L300 | K229-L300 HydrophobicContact CG-CB 4.44Å; K229-L300 HydrophobicContact CG-CD1 4.21Å; K229-L300 PolarHBondContact N-O 3.08Å; K229-L300 PolarHBondContact O-N 2.71Å |
| 230 | N | 98.2 | Very high | 97.5 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 153.8 | 163.6 | -68.5 | -43.7 | 0 | 0 | 0 | 110.9 | M227 I296 S299 | M227-N230 VanDerWaalsContact CE-CG 3.46Å; M227-N230 WeakPolarHBondContact CE-OD1 3.3Å; N230-I296 HydrophobicContact CB-CD1 4.4Å; N230-I296 HydrophobicContact CB-CG1 3.94Å; N230-I296 HydrophobicContact CB-CG2 4.05Å; N230-I296 WeakPolarHBondContact ND2-CD1 3.42Å; N230-S299 PolarHBondContact OD1-OG 2.98Å |
| 231 | V | 98.5 | Very high | 97.5 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.7 | 169.6 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | L264 F265 A297 L298 L300 | V231-L264 HydrophobicContact CG1-CD2 4.31Å; V231-F265 HydrophobicContact CG1-CE2 4.14Å; V231-F265 HydrophobicContact CG1-CZ 4Å; V231-A297 WeakPolarHBondContact O-CA 3.48Å; V231-A297 WeakPolarHBondContact O-CB 3.32Å; V231-A297 PolarHBondContact O-N 2.89Å; V231-L298 HydrophobicContact CB-CD1 4.11Å; V231-L298 HydrophobicContact CB-CG 4.3Å; V231-L298 HydrophobicContact CG2-CD1 3.95Å; V231-L298 PolarHBondContact N-O 3.36Å; V231-L298 PolarHBondContact O-N 3.4Å; V231-L300 HydrophobicContact CG2-CD1 3.58Å; V231-L300 HydrophobicContact CG2-CG 3.98Å |
| 232 | D | 98.5 | Very high | 97.5 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 162.6 | 173.5 | -163.9 | 4 | 0 | 0 | 0 | 110.8 | R235 F265 G295 | D232-R235 IonicContact OD1-CZ 3.07Å; D232-R235 IonicContact OD1-NE 3.65Å; D232-R235 PolarHBondContact OD1-NE 2.91Å; D232-R235 IonicContact OD1-NH2 3.12Å; D232-R235 PolarHBondContact OD1-NH2 2.95Å; D232-R235 WeakPolarHBondContact OD2-CD 3.47Å; D232-R235 IonicContact OD2-CZ 2.8Å; D232-R235 IonicContact OD2-NE 3.44Å; D232-R235 PolarHBondContact OD2-NE 3.31Å; D232-R235 IonicContact OD2-NH2 3.9Å; D232-F265 VanDerWaalsContact O-CZ 3.28Å; D232-F265 WeakPolarHBondContact O-CZ 3.22Å; D232-G295 WeakPolarHBondContact CA-O 3.39Å; D232-G295 WeakPolarHBondContact CB-O 3.27Å; D232-G295 VanDerWaalsContact CG-C 3.46Å; D232-G295 VanDerWaalsContact CG-CA 3.45Å; D232-G295 WeakPolarHBondContact OD1-CA 3.49Å |
| 233 | Y | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 147.8 | 166.2 | -68.1 | -83.4 | 0 | 0 | 0 | 110.7 | R235 I242 A244 I246 F265 N287 Y292 A297 | Y233-R235 PolarHBondContact O-N 2.83Å; Y233-I242 HydrophobicContact CD1-CD1 4.34Å; Y233-I242 HydrophobicContact CD1-CG2 4.12Å; Y233-I242 HydrophobicContact CD2-CD1 3.65Å; Y233-I242 HydrophobicContact CD2-CG1 4.36Å; Y233-I242 HydrophobicContact CE2-CD1 4.23Å; Y233-I242 HydrophobicContact CG-CD1 3.72Å; Y233-I242 HydrophobicContact CG-CG1 4.09Å; Y233-I242 HydrophobicContact CG-CG2 4.13Å; Y233-A244 WeakPolarHBondContact CD1-O 3.44Å; Y233-I246 HydrophobicContact CE1-CG1 4.23Å; Y233-F265 HydrophobicContact CD1-CD1 4.41Å; Y233-F265 HydrophobicContact CD1-CE1 4.02Å; Y233-F265 HydrophobicContact CE1-CE1 4.44Å; Y233-N287 PolarHBondContact OH-OD1 3.35Å; Y233-N287 VanDerWaalsContact OH-OD1 3.14Å; Y233-Y292 HydrophobicContact CE1-CE1 4.36Å; Y233-Y292 HydrophobicContact CE2-CD1 4.06Å; Y233-Y292 HydrophobicContact CE2-CD2 4.23Å; Y233-Y292 HydrophobicContact CE2-CE1 4Å; Y233-Y292 HydrophobicContact CE2-CE2 4.18Å; Y233-Y292 HydrophobicContact CE2-CG 4.17Å; Y233-Y292 AromaticContact CZ-CE1 3.83Å; Y233-Y292 AromaticContact CZ-CE2 3.86Å; Y233-Y292 AromaticContact CZ-CZ 3.56Å; Y233-Y292 WeakPolarHBondContact OH-CE2 3.22Å; Y233-Y292 PolarHBondContact OH-OH 3.32Å; Y233-A297 HydrophobicContact CD1-CB 3.77Å; Y233-A297 HydrophobicContact CD2-CB 3.65Å; Y233-A297 HydrophobicContact CE1-CB 3.63Å; Y233-A297 VanDerWaalsContact CE2-CA 3.4Å; Y233-A297 HydrophobicContact CE2-CB 3.52Å; Y233-A297 HydrophobicContact CG-CB 3.76Å; Y233-A297 VanDerWaalsContact CZ-CB 3.49Å |
| 234 | P | 98.2 | Very high | 97.6 | Very high | 35 Ų | 35 | 58 Ų | 58 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 131.6 | 162.4 | -25.3 | 36.8 | 0 | 0 | 0 | 109.6 | I242 T243 A244 F265 | P234-I242 WeakPolarHBondContact O-CA 3.47Å; P234-T243 PolarHBondContact O-N 3.42Å; P234-T243 PolarHBondContact O-OG1 3.37Å; P234-A244 HydrophobicContact CB-CB 3.99Å; P234-A244 HydrophobicContact CG-CB 3.76Å; P234-F265 HydrophobicContact CG-CB 4.08Å; P234-F265 HydrophobicContact CG-CD1 4.43Å; P234-F265 HydrophobicContact CG-CD2 3.51Å; P234-F265 HydrophobicContact CG-CE2 3.99Å; P234-F265 HydrophobicContact CG-CG 3.77Å |
| 235 | R | 97.8 | Very high | 97.6 | Very high | 69 Ų | 69 | 60 Ų | 60 | 26% | 0.26 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -128.1 | 149.3 | -178 | -71.1 | 173.6 | -171.3 | -79 | -6.7 | 111 | D232 Y233 R240 N241 Y292 | D232-R235 IonicContact OD1-CZ 3.07Å; D232-R235 IonicContact OD1-NE 3.65Å; D232-R235 PolarHBondContact OD1-NE 2.91Å; D232-R235 IonicContact OD1-NH2 3.12Å; D232-R235 PolarHBondContact OD1-NH2 2.95Å; D232-R235 WeakPolarHBondContact OD2-CD 3.47Å; D232-R235 IonicContact OD2-CZ 2.8Å; D232-R235 IonicContact OD2-NE 3.44Å; D232-R235 PolarHBondContact OD2-NE 3.31Å; D232-R235 IonicContact OD2-NH2 3.9Å; Y233-R235 PolarHBondContact O-N 2.83Å; R235-R240 WeakPolarHBondContact CD-O 3.37Å; R235-R240 WeakPolarHBondContact CG-O 3.5Å; R235-R240 PolarHBondContact NH1-O 2.85Å; R235-N241 CarbonylContact C-O 3.58Å; R235-N241 WeakPolarHBondContact CA-O 3.2Å; R235-Y292 PolarHBondContact NH2-O 3.38Å |
| 236 | D | 97.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 32% | 0.316 | 32% | 0.321 | S | S | . | . | trans | -65.2 | 140.9 | 169.8 | 178.2 | -109.7 | 0 | 0 | 0 | 110.7 | E238 T239 R240 N241 T243 | D236-E238 VanDerWaalsContact C-N 3.34Å; D236-E238 PolarHBondContact O-N 2.86Å; D236-E238 PolarHBondContact OD1-N 2.92Å; D236-T239 WeakPolarHBondContact CB-OG1 3.3Å; D236-T239 WeakPolarHBondContact OD1-CB 3.06Å; D236-T239 WeakPolarHBondContact OD1-CG2 3.47Å; D236-T239 PolarHBondContact OD1-N 3.49Å; D236-T239 PolarHBondContact OD1-OG1 3Å; D236-R240 VanDerWaalsContact O-CA 3.3Å; D236-R240 WeakPolarHBondContact O-CA 3.38Å; D236-R240 PolarHBondContact O-N 2.82Å; D236-R240 VanDerWaalsContact O-N 3.1Å; D236-N241 PolarHBondContact N-O 2.86Å; D236-T243 HydrophobicContact CB-CG2 3.78Å | ||
| 237 | G | 95.5 | Very high | 97.6 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -32.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 238 | E | 96.1 | Very high | 97.7 | Very high | 184 Ų | 184 | 62.4 Ų | 62.4 | 86% | 0.86 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -51.9 | -176.2 | -63.9 | -177.3 | 177.3 | 0 | 0 | 111.4 | D236 | D236-E238 VanDerWaalsContact C-N 3.34Å; D236-E238 PolarHBondContact O-N 2.86Å; D236-E238 PolarHBondContact OD1-N 2.92Å |
| 239 | T | 95.9 | Very high | 97.7 | Very high | 77 Ų | 77 | 68.7 Ų | 68.7 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -15.7 | -173 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | D236 N241 | D236-T239 WeakPolarHBondContact CB-OG1 3.3Å; D236-T239 WeakPolarHBondContact OD1-CB 3.06Å; D236-T239 WeakPolarHBondContact OD1-CG2 3.47Å; D236-T239 PolarHBondContact OD1-N 3.49Å; D236-T239 PolarHBondContact OD1-OG1 3Å; T239-N241 WeakPolarHBondContact CB-ND2 3.2Å; T239-N241 PolarHBondContact O-N 3Å; T239-N241 PolarHBondContact OG1-N 3.47Å; T239-N241 PolarHBondContact OG1-ND2 3.23Å |
| 240 | R | 95.4 | Very high | 97.8 | Very high | 154 Ų | 154 | 64.4 Ų | 64.4 | 58% | 0.581 | 34% | 0.34 | S | S | * | . | trans | 60.2 | 7.9 | -174.2 | -54.7 | -66.7 | -63.2 | 170.6 | 1.8 | 114.5 | R235 D236 | R235-R240 WeakPolarHBondContact CD-O 3.37Å; R235-R240 WeakPolarHBondContact CG-O 3.5Å; R235-R240 PolarHBondContact NH1-O 2.85Å; D236-R240 VanDerWaalsContact O-CA 3.3Å; D236-R240 WeakPolarHBondContact O-CA 3.38Å; D236-R240 PolarHBondContact O-N 2.82Å; D236-R240 VanDerWaalsContact O-N 3.1Å | ||
| 241 | N | 96.9 | Very high | 97.8 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | trans | -67.2 | 147.2 | 174.8 | -71.9 | -33.2 | 0 | 0 | 0 | 110.4 | R235 D236 T239 | R235-N241 CarbonylContact C-O 3.58Å; R235-N241 WeakPolarHBondContact CA-O 3.2Å; D236-N241 PolarHBondContact N-O 2.86Å; T239-N241 WeakPolarHBondContact CB-ND2 3.2Å; T239-N241 PolarHBondContact O-N 3Å; T239-N241 PolarHBondContact OG1-N 3.47Å; T239-N241 PolarHBondContact OG1-ND2 3.23Å | ||
| 242 | I | 98.1 | Very high | 97.8 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 21% | 0.205 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -63.4 | 137.6 | 173.2 | -65.8 | 174.9 | 0 | 0 | 0 | 108.9 | Y233 P234 A244 F268 Y292 | Y233-I242 HydrophobicContact CD1-CD1 4.34Å; Y233-I242 HydrophobicContact CD1-CG2 4.12Å; Y233-I242 HydrophobicContact CD2-CD1 3.65Å; Y233-I242 HydrophobicContact CD2-CG1 4.36Å; Y233-I242 HydrophobicContact CE2-CD1 4.23Å; Y233-I242 HydrophobicContact CG-CD1 3.72Å; Y233-I242 HydrophobicContact CG-CG1 4.09Å; Y233-I242 HydrophobicContact CG-CG2 4.13Å; P234-I242 WeakPolarHBondContact O-CA 3.47Å; I242-A244 WeakPolarHBondContact CG2-O 3.23Å; I242-F268 HydrophobicContact CG2-CE2 4.49Å; I242-F268 HydrophobicContact CG2-CZ 4.26Å; I242-F268 VanDerWaalsContact O-CE2 3.31Å; I242-F268 WeakPolarHBondContact O-CE2 3.42Å; I242-Y292 HydrophobicContact CD1-CD1 3.47Å; I242-Y292 VanDerWaalsContact CD1-CD1 3.47Å; I242-Y292 HydrophobicContact CD1-CE1 3.76Å |
| 243 | T | 98.5 | Very high | 97.8 | Very high | 52 Ų | 52 | 69.9 Ų | 69.9 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | trans | -116.1 | -3.7 | 179.7 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | P234 D236 T267 F268 | P234-T243 PolarHBondContact O-N 3.42Å; P234-T243 PolarHBondContact O-OG1 3.37Å; D236-T243 HydrophobicContact CB-CG2 3.78Å; T243-T267 WeakPolarHBondContact O-CA 3.47Å; T243-F268 WeakPolarHBondContact O-CD2 3.33Å; T243-F268 PolarHBondContact O-N 3.09Å | ||
| 244 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 147.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y233 P234 I242 F265 Q266 T267 | Y233-A244 WeakPolarHBondContact CD1-O 3.44Å; P234-A244 HydrophobicContact CB-CB 3.99Å; P234-A244 HydrophobicContact CG-CB 3.76Å; I242-A244 WeakPolarHBondContact CG2-O 3.23Å; A244-F265 HydrophobicContact CB-CB 3.81Å; A244-Q266 CarbonylContact C-O 3.43Å; A244-Q266 VanDerWaalsContact CA-O 3.23Å; A244-Q266 WeakPolarHBondContact CA-O 3.41Å; A244-Q266 VanDerWaalsContact CB-O 3.32Å; A244-Q266 WeakPolarHBondContact CB-O 3.49Å; A244-T267 HydrophobicContact CB-CG2 4.34Å |
| 245 | A | 98.7 | Very high | 97.8 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 166.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H247 F265 Q266 F268 | A245-H247 PolarHBondContact O-N 3.34Å; A245-F265 CarbonylContact O-C 3.58Å; A245-F265 VanDerWaalsContact O-CA 3.22Å; A245-F265 WeakPolarHBondContact O-CA 3.31Å; A245-F265 WeakPolarHBondContact O-CB 3.38Å; A245-Q266 PolarHBondContact N-O 3.23Å; A245-Q266 PolarHBondContact O-N 3.29Å; A245-F268 HydrophobicContact CB-CE1 4.25Å |
| 246 | I | 98.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 67.7 Ų | 67.7 | 5% | 0.046 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 132.4 | 168.9 | -69.1 | -67.3 | 0 | 0 | 0 | 109.2 | Y233 L250 Q251 F265 I286 N287 A297 L298 | Y233-I246 HydrophobicContact CE1-CG1 4.23Å; I246-L250 HydrophobicContact CG2-CB 4.24Å; I246-L250 HydrophobicContact CG2-CD2 4.49Å; I246-L250 HydrophobicContact CG2-CG 4.35Å; I246-Q251 HydrophobicContact CG2-CB 4.07Å; I246-F265 HydrophobicContact CD1-CD1 4.07Å; I246-F265 HydrophobicContact CD1-CE1 3.67Å; I246-I286 HydrophobicContact CD1-CG2 4.23Å; I246-I286 HydrophobicContact CG1-CG2 4.2Å; I246-I286 HydrophobicContact CG2-CG2 3.76Å; I246-N287 HydrophobicContact CG1-CB 4.01Å; I246-A297 HydrophobicContact CD1-CB 4.06Å; I246-L298 HydrophobicContact CD1-CD2 4.09Å |
| 247 | H | 98.8 | Very high | 97.9 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -64 | 139 | -177.8 | -171.9 | -86.2 | 0 | 0 | 0 | 110.5 | A245 R249 L250 Q251 P263 L264 | A245-H247 PolarHBondContact O-N 3.34Å; H247-R249 WeakPolarHBondContact ND1-CB 3.41Å; H247-R249 PolarHBondContact ND1-N 2.79Å; H247-R249 VanDerWaalsContact ND1-N 3.13Å; H247-R249 PolarHBondContact O-N 2.75Å; H247-L250 WeakPolarHBondContact O-CA 3.47Å; H247-L250 PolarHBondContact O-N 2.92Å; H247-Q251 PolarHBondContact O-N 3.24Å; H247-P263 HydrophobicContact CB-CB 4.17Å; H247-P263 VanDerWaalsContact CG-CB 3.48Å; H247-P263 WeakPolarHBondContact ND1-CB 3.41Å; H247-L264 WeakPolarHBondContact CB-O 3.32Å; H247-L264 PolarHBondContact N-O 2.92Å |
| 248 | P | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.6 | -176.5 | -28.1 | 34.7 | 0 | 0 | 0 | 115.1 | L250 Q266 | P248-L250 VanDerWaalsContact C-N 3.3Å; P248-Q266 VanDerWaalsContact CD-OE1 3.31Å |
| 249 | R | 98.3 | Very high | 98.1 | Very high | 188 Ų | 188 | 62.2 Ų | 62.2 | 71% | 0.709 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -16.8 | 175.3 | -66.4 | -178.7 | -175.9 | -179 | 1.5 | 114.4 | H247 R253 | H247-R249 WeakPolarHBondContact ND1-CB 3.41Å; H247-R249 PolarHBondContact ND1-N 2.79Å; H247-R249 VanDerWaalsContact ND1-N 3.13Å; H247-R249 PolarHBondContact O-N 2.75Å; R249-R253 WeakPolarHBondContact O-CD 3.38Å |
| 250 | L | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -29.6 | 178.7 | -179.3 | 61.9 | 0 | 0 | 0 | 112 | I246 H247 P248 D252 R253 L258 L264 A283 I286 L298 | I246-L250 HydrophobicContact CG2-CB 4.24Å; I246-L250 HydrophobicContact CG2-CD2 4.49Å; I246-L250 HydrophobicContact CG2-CG 4.35Å; H247-L250 WeakPolarHBondContact O-CA 3.47Å; H247-L250 PolarHBondContact O-N 2.92Å; P248-L250 VanDerWaalsContact C-N 3.3Å; L250-D252 PolarHBondContact O-N 2.94Å; L250-R253 VanDerWaalsContact O-CB 3.29Å; L250-R253 WeakPolarHBondContact O-CB 3.31Å; L250-R253 PolarHBondContact O-N 2.8Å; L250-L258 HydrophobicContact CD1-CD1 4.35Å; L250-L264 HydrophobicContact CD2-CD1 3.44Å; L250-L264 VanDerWaalsContact CD2-CD1 3.44Å; L250-A283 HydrophobicContact CD1-CB 4.47Å; L250-I286 HydrophobicContact CD1-CD1 3.96Å; L250-I286 HydrophobicContact CG-CD1 4.19Å; L250-L298 HydrophobicContact CD2-CD2 3.71Å |
| 251 | Q | 98.8 | Very high | 98.4 | Very high | 47 Ų | 47 | 56 Ų | 56 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 134.5 | 177 | -175 | 58.7 | 57.2 | 0 | 0 | 110.9 | I246 H247 R253 N287 | I246-Q251 HydrophobicContact CG2-CB 4.07Å; H247-Q251 PolarHBondContact O-N 3.24Å; Q251-R253 PolarHBondContact O-N 3.47Å; Q251-R253 VanDerWaalsContact O-N 3.15Å; Q251-N287 PolarHBondContact OE1-ND2 3.03Å |
| 252 | D | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 54.5 Ų | 54.5 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 15.5 | -179.6 | -49.2 | -36 | 0 | 0 | 0 | 115.4 | N123 L250 | N123-D252 HydrophobicContact CB-CB 3.79Å; N123-D252 PolarHBondContact ND2-O 3.49Å; L250-D252 PolarHBondContact O-N 2.94Å |
| 253 | R | 98.4 | Very high | 98.5 | Very high | 137 Ų | 137 | 54 Ų | 54 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | trans | -101.6 | 36.7 | 178.6 | -59 | -161.9 | 70.7 | 153.9 | -0 | 113.3 | R249 L250 Q251 F255 C256 | R249-R253 WeakPolarHBondContact O-CD 3.38Å; L250-R253 VanDerWaalsContact O-CB 3.29Å; L250-R253 WeakPolarHBondContact O-CB 3.31Å; L250-R253 PolarHBondContact O-N 2.8Å; Q251-R253 PolarHBondContact O-N 3.47Å; Q251-R253 VanDerWaalsContact O-N 3.15Å; R253-F255 PolarHBondContact O-N 2.88Å; R253-C256 HydrophobicContact CB-CB 4.04Å; R253-C256 VanDerWaalsContact O-CB 3.22Å; R253-C256 WeakPolarHBondContact O-CB 3.45Å; R253-C256 PolarHBondContact O-N 2.73Å | ||
| 254 | D | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 136.9 | 175 | -61.2 | -104.1 | 0 | 0 | 0 | 110.6 | N123 M124 C256 A283 F284 F285 I286 | N123-D254 PolarHBondContact N-OD2 2.94Å; N123-D254 WeakPolarHBondContact O-CB 3.45Å; M124-D254 HydrophobicContact CG-CB 4.05Å; M124-D254 WeakPolarHBondContact CG-OD1 3.44Å; D254-C256 PolarHBondContact O-N 3.37Å; D254-C256 VanDerWaalsContact O-N 3.15Å; D254-A283 CarbonylContact C-O 3.5Å; D254-A283 WeakPolarHBondContact CA-O 3.49Å; D254-F284 VanDerWaalsContact OD1-CA 3.28Å; D254-F284 WeakPolarHBondContact OD1-CA 3.3Å; D254-F285 PolarHBondContact OD1-N 2.82Å; D254-I286 HydrophobicContact CB-CD1 4.49Å; D254-I286 PolarHBondContact OD1-N 3Å |
| 255 | F | 98.5 | Very high | 98.5 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 19.5 | -175.3 | -47.8 | -85.6 | 0 | 0 | 0 | 115.4 | M124 C127 R155 I157 F225 R253 Y282 A283 F284 | M124-F255 HydrophobicContact CB-CE2 3.9Å; M124-F255 HydrophobicContact CE-CE2 4.39Å; M124-F255 HydrophobicContact CE-CZ 4.11Å; M124-F255 HydrophobicContact CG-CE2 3.97Å; M124-F255 WeakPolarHBondContact O-CE2 3.44Å; C127-F255 VanDerWaalsContact SG-CZ 3.59Å; R155-F255 HydrophobicContact CB-CE1 4.21Å; R155-F255 HydrophobicContact CB-CZ 4.18Å; R155-F255 HydrophobicContact CG-CD1 4.4Å; R155-F255 HydrophobicContact CG-CE1 4.46Å; R155-F255 HydrophobicContact CG-CG 4.4Å; R155-F255 VanDerWaalsContact CZ-CD2 3.41Å; I157-F255 HydrophobicContact CD1-CE1 4.08Å; I157-F255 HydrophobicContact CD1-CZ 3.69Å; I157-F255 HydrophobicContact CG1-CE1 4.15Å; I157-F255 HydrophobicContact CG1-CZ 4.14Å; F225-F255 HydrophobicContact CB-CE1 4.45Å; F225-F255 AromaticContact CD1-CD1 3.82Å; F225-F255 HydrophobicContact CD1-CD1 3.82Å; F225-F255 HydrophobicContact CD1-CE1 4.36Å; F225-F255 HydrophobicContact CD2-CD1 4.42Å; F225-F255 HydrophobicContact CD2-CE1 4.49Å; F225-F255 HydrophobicContact CE1-CB 4.44Å; F225-F255 AromaticContact CE1-CD1 3.93Å; F225-F255 HydrophobicContact CE1-CD1 3.93Å; F225-F255 HydrophobicContact CG-CD1 4.07Å; F225-F255 HydrophobicContact CG-CE1 4.18Å; F225-F255 HydrophobicContact CZ-CD1 4.29Å; R253-F255 PolarHBondContact O-N 2.88Å; F255-Y282 VanDerWaalsContact O-CD1 3.28Å; F255-Y282 WeakPolarHBondContact O-CD1 3.48Å; F255-A283 PolarHBondContact N-O 3.15Å; F255-F284 HydrophobicContact CD1-CB 4.13Å; F255-F284 HydrophobicContact CE1-CB 3.7Å; F255-F284 HydrophobicContact CE1-CG 4.14Å; F255-F284 HydrophobicContact CE2-CB 4.12Å; F255-F284 HydrophobicContact CZ-CB 3.71Å; F255-F284 HydrophobicContact CZ-CG 4.33Å |
| 256 | C | 97.9 | Very high | 98.5 | Very high | 47 Ų | 47 | 53.8 Ų | 53.8 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -80 | 149.5 | 155.4 | -64.4 | 0 | 0 | 0 | 0 | 109.6 | R253 D254 L258 | R253-C256 HydrophobicContact CB-CB 4.04Å; R253-C256 VanDerWaalsContact O-CB 3.22Å; R253-C256 WeakPolarHBondContact O-CB 3.45Å; R253-C256 PolarHBondContact O-N 2.73Å; D254-C256 PolarHBondContact O-N 3.37Å; D254-C256 VanDerWaalsContact O-N 3.15Å; C256-L258 PolarHBondContact O-N 3.24Å |
| 257 | L | 97.9 | Very high | 98.5 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.2 | 177.1 | -169.6 | 71.9 | 0 | 0 | 0 | 109.6 | R259 A280 Y282 | L257-R259 HydrophobicContact CD2-CG 4.39Å; L257-R259 HydrophobicContact CG-CG 4.48Å; L257-A280 HydrophobicContact CD1-CB 3.83Å; L257-A280 HydrophobicContact CD2-CB 3.93Å; L257-A280 HydrophobicContact CG-CB 3.86Å; L257-Y282 HydrophobicContact CB-CE1 4.23Å; L257-Y282 HydrophobicContact CD1-CD1 4.46Å; L257-Y282 HydrophobicContact CD1-CD2 4.1Å; L257-Y282 HydrophobicContact CD1-CE1 4.23Å; L257-Y282 HydrophobicContact CD1-CE2 3.82Å; L257-Y282 HydrophobicContact CD1-CG 4.42Å |
| 258 | L | 98.5 | Very high | 98.5 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.4 | 173.1 | 176.2 | 68 | 0 | 0 | 0 | 109.1 | L250 C256 E262 L264 Y275 A280 L281 L300 | L250-L258 HydrophobicContact CD1-CD1 4.35Å; C256-L258 PolarHBondContact O-N 3.24Å; L258-E262 WeakPolarHBondContact CA-OE2 3.5Å; L258-E262 HydrophobicContact CD1-CB 3.96Å; L258-L264 HydrophobicContact CD2-CD1 3.94Å; L258-Y275 HydrophobicContact CD2-CD1 3.95Å; L258-Y275 HydrophobicContact CD2-CD2 3.92Å; L258-Y275 HydrophobicContact CD2-CE1 4.36Å; L258-Y275 HydrophobicContact CD2-CE2 4.33Å; L258-Y275 HydrophobicContact CD2-CG 3.71Å; L258-Y275 HydrophobicContact CG-CD1 3.77Å; L258-Y275 HydrophobicContact CG-CE1 4.31Å; L258-Y275 HydrophobicContact CG-CG 3.93Å; L258-A280 VanDerWaalsContact O-CA 3.28Å; L258-A280 WeakPolarHBondContact O-CA 3.4Å; L258-L281 PolarHBondContact N-O 3.16Å; L258-L281 PolarHBondContact O-N 2.97Å; L258-L300 HydrophobicContact CD2-CD2 4.08Å |
| 259 | R | 98.5 | Very high | 98.4 | Very high | 137 Ų | 137 | 61.3 Ų | 61.3 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 150.6 | -176.5 | -60.3 | 178.2 | 177.4 | -83.7 | 1.9 | 112 | L257 G261 E262 A280 | L257-R259 HydrophobicContact CD2-CG 4.39Å; L257-R259 HydrophobicContact CG-CG 4.48Å; R259-G261 PolarHBondContact O-N 3.34Å; R259-E262 HydrophobicContact CB-CG 4.05Å; R259-E262 PolarHBondContact N-OE2 3.1Å; R259-E262 VanDerWaalsContact O-CB 3.32Å; R259-E262 WeakPolarHBondContact O-CB 3.15Å; R259-E262 PolarHBondContact O-N 3.48Å; R259-A280 HydrophobicContact CG-CB 4Å |
| 260 | P | 98.5 | Very high | 98.4 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 133.2 | 172.7 | -27.4 | 36.2 | 0 | 0 | 0 | 111.7 | E262 G277 | P260-E262 VanDerWaalsContact C-N 3.34Å; P260-G277 VanDerWaalsContact CB-O 3.26Å; P260-G277 WeakPolarHBondContact CB-O 3.43Å; P260-G277 WeakPolarHBondContact CG-O 3.42Å |
| 261 | G | 98.3 | Very high | 98.4 | Very high | 37 Ų | 37 | 60 Ų | 60 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -7.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R259 K274 Y275 | R259-G261 PolarHBondContact O-N 3.34Å; G261-K274 VanDerWaalsContact O-CD 3.26Å; G261-K274 WeakPolarHBondContact O-CD 3.28Å; G261-K274 WeakPolarHBondContact O-CG 3.35Å; G261-Y275 PolarHBondContact N-O 3.27Å |
| 262 | E | 98.4 | Very high | 98.4 | Very high | 72 Ų | 72 | 61.1 Ų | 61.1 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -74.3 | 151.8 | 174.4 | -71.6 | -176.5 | 156.4 | 0 | 0 | 112.3 | L258 R259 P260 L264 K274 Y275 | L258-E262 WeakPolarHBondContact CA-OE2 3.5Å; L258-E262 HydrophobicContact CD1-CB 3.96Å; R259-E262 HydrophobicContact CB-CG 4.05Å; R259-E262 PolarHBondContact N-OE2 3.1Å; R259-E262 VanDerWaalsContact O-CB 3.32Å; R259-E262 WeakPolarHBondContact O-CB 3.15Å; R259-E262 PolarHBondContact O-N 3.48Å; P260-E262 VanDerWaalsContact C-N 3.34Å; E262-L264 PolarHBondContact O-N 3.42Å; E262-K274 CarbonylContact O-C 3.53Å; E262-K274 VanDerWaalsContact O-CA 3.29Å; E262-K274 WeakPolarHBondContact O-CA 3.49Å; E262-Y275 PolarHBondContact O-N 3.15Å |
| 263 | P | 98.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 59.7 Ų | 59.7 | 20% | 0.195 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 127.3 | 177.5 | -24.3 | 35.9 | 0 | 0 | 0 | 112.7 | H247 T272 | H247-P263 HydrophobicContact CB-CB 4.17Å; H247-P263 VanDerWaalsContact CG-CB 3.48Å; H247-P263 WeakPolarHBondContact ND1-CB 3.41Å; P263-T272 HydrophobicContact CB-CG2 3.7Å; P263-T272 HydrophobicContact CG-CG2 4.11Å |
| 264 | L | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -51.9 | -177.4 | 178.9 | 61.4 | 0 | 0 | 0 | 111.5 | V231 H247 L250 L258 E262 V273 Y275 L298 | V231-L264 HydrophobicContact CG1-CD2 4.31Å; H247-L264 WeakPolarHBondContact CB-O 3.32Å; H247-L264 PolarHBondContact N-O 2.92Å; L250-L264 HydrophobicContact CD2-CD1 3.44Å; L250-L264 VanDerWaalsContact CD2-CD1 3.44Å; L258-L264 HydrophobicContact CD2-CD1 3.94Å; E262-L264 PolarHBondContact O-N 3.42Å; L264-V273 WeakPolarHBondContact CB-O 3.37Å; L264-V273 PolarHBondContact N-O 3.38Å; L264-Y275 HydrophobicContact CD2-CD2 4.11Å; L264-L298 HydrophobicContact CD1-CD2 3.7Å |
| 265 | F | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 159.3 | 175.5 | -53.7 | -77.8 | 0 | 0 | 0 | 111.7 | V231 D232 Y233 P234 A244 A245 I246 V273 A297 | V231-F265 HydrophobicContact CG1-CE2 4.14Å; V231-F265 HydrophobicContact CG1-CZ 4Å; D232-F265 VanDerWaalsContact O-CZ 3.28Å; D232-F265 WeakPolarHBondContact O-CZ 3.22Å; Y233-F265 HydrophobicContact CD1-CD1 4.41Å; Y233-F265 HydrophobicContact CD1-CE1 4.02Å; Y233-F265 HydrophobicContact CE1-CE1 4.44Å; P234-F265 HydrophobicContact CG-CB 4.08Å; P234-F265 HydrophobicContact CG-CD1 4.43Å; P234-F265 HydrophobicContact CG-CD2 3.51Å; P234-F265 HydrophobicContact CG-CE2 3.99Å; P234-F265 HydrophobicContact CG-CG 3.77Å; A244-F265 HydrophobicContact CB-CB 3.81Å; A245-F265 CarbonylContact O-C 3.58Å; A245-F265 VanDerWaalsContact O-CA 3.22Å; A245-F265 WeakPolarHBondContact O-CA 3.31Å; A245-F265 WeakPolarHBondContact O-CB 3.38Å; I246-F265 HydrophobicContact CD1-CD1 4.07Å; I246-F265 HydrophobicContact CD1-CE1 3.67Å; F265-V273 HydrophobicContact CB-CB 4.02Å; F265-V273 HydrophobicContact CB-CG2 4.35Å; F265-V273 HydrophobicContact CD2-CB 4.43Å; F265-V273 HydrophobicContact CD2-CG1 4.39Å; F265-V273 PolarHBondContact N-O 2.99Å; F265-V273 PolarHBondContact O-N 2.97Å; F265-A297 HydrophobicContact CE1-CB 3.64Å; F265-A297 HydrophobicContact CZ-CB 3.88Å |
| 266 | Q | 98.8 | Very high | 98.3 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 33% | 0.327 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.7 | 166.1 | -172.2 | 174.9 | 12.5 | 0 | 0 | 108.3 | A244 A245 P248 E271 | A244-Q266 CarbonylContact C-O 3.43Å; A244-Q266 VanDerWaalsContact CA-O 3.23Å; A244-Q266 WeakPolarHBondContact CA-O 3.41Å; A244-Q266 VanDerWaalsContact CB-O 3.32Å; A244-Q266 WeakPolarHBondContact CB-O 3.49Å; A245-Q266 PolarHBondContact N-O 3.23Å; A245-Q266 PolarHBondContact O-N 3.29Å; P248-Q266 VanDerWaalsContact CD-OE1 3.31Å; Q266-E271 CarbonylContact C-O 3.54Å; Q266-E271 WeakPolarHBondContact CA-O 3.49Å |
| 267 | T | 98.7 | Very high | 98.2 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 158 | 175.3 | 68.5 | 0 | 0 | 0 | 0 | 110 | T243 A244 S269 G270 E271 V273 | T243-T267 WeakPolarHBondContact O-CA 3.47Å; A244-T267 HydrophobicContact CB-CG2 4.34Å; T267-S269 PolarHBondContact O-N 3.48Å; T267-S269 PolarHBondContact OG1-N 2.82Å; T267-S269 PolarHBondContact OG1-OG 2.98Å; T267-G270 WeakPolarHBondContact O-CA 3.45Å; T267-G270 PolarHBondContact O-N 2.06Å; T267-G270 PolarHBondContact OG1-N 3.2Å; T267-E271 HydrophobicContact CG2-CB 4.18Å; T267-E271 PolarHBondContact N-O 3.06Å; T267-E271 WeakPolarHBondContact OG1-CB 3.34Å; T267-E271 PolarHBondContact OG1-N 3.26Å; T267-E271 PolarHBondContact OG1-O 3.11Å; T267-V273 HydrophobicContact CG2-CG2 3.85Å |
| 268 | F | 98.1 | Very high | 98.1 | Very high | 149 Ų | 149 | 69.2 Ų | 69.2 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.8 | 175.4 | -59.1 | -44.5 | 0 | 0 | 0 | 113.5 | I242 T243 A245 G270 | I242-F268 HydrophobicContact CG2-CE2 4.49Å; I242-F268 HydrophobicContact CG2-CZ 4.26Å; I242-F268 VanDerWaalsContact O-CE2 3.31Å; I242-F268 WeakPolarHBondContact O-CE2 3.42Å; T243-F268 WeakPolarHBondContact O-CD2 3.33Å; T243-F268 PolarHBondContact O-N 3.09Å; A245-F268 HydrophobicContact CB-CE1 4.25Å; F268-G270 VanDerWaalsContact C-N 3.28Å |
| 269 | S | 97.3 | Very high | 98.1 | Very high | 96 Ų | 96 | 72.8 Ų | 72.8 | 67% | 0.671 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -7.3 | 167.8 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | T267 | T267-S269 PolarHBondContact O-N 3.48Å; T267-S269 PolarHBondContact OG1-N 2.82Å; T267-S269 PolarHBondContact OG1-OG 2.98Å |
| 270 | G | 97.6 | Very high | 98.1 | Very high | 40 Ų | 40 | 67.9 Ų | 67.9 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 97.2 | 0 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T267 F268 | T267-G270 WeakPolarHBondContact O-CA 3.45Å; T267-G270 PolarHBondContact O-N 2.06Å; T267-G270 PolarHBondContact OG1-N 3.2Å; F268-G270 VanDerWaalsContact C-N 3.28Å |
| 271 | E | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 64.9 Ų | 64.9 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 144.1 | -179.5 | -59.4 | -179.1 | 142.6 | 0 | 0 | 111.7 | Q266 T267 | Q266-E271 CarbonylContact C-O 3.54Å; Q266-E271 WeakPolarHBondContact CA-O 3.49Å; T267-E271 HydrophobicContact CG2-CB 4.18Å; T267-E271 PolarHBondContact N-O 3.06Å; T267-E271 WeakPolarHBondContact OG1-CB 3.34Å; T267-E271 PolarHBondContact OG1-N 3.26Å; T267-E271 PolarHBondContact OG1-O 3.11Å |
| 272 | T | 98.8 | Very high | 98.1 | Very high | 70 Ų | 70 | 66 Ų | 66 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.7 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 111 | P263 K274 | P263-T272 HydrophobicContact CB-CG2 3.7Å; P263-T272 HydrophobicContact CG-CG2 4.11Å; T272-K274 HydrophobicContact CG2-CG 4.3Å |
| 273 | V | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 122.5 | 166.6 | -173 | 0 | 0 | 0 | 0 | 108.3 | L264 F265 T267 | L264-V273 WeakPolarHBondContact CB-O 3.37Å; L264-V273 PolarHBondContact N-O 3.38Å; F265-V273 HydrophobicContact CB-CB 4.02Å; F265-V273 HydrophobicContact CB-CG2 4.35Å; F265-V273 HydrophobicContact CD2-CB 4.43Å; F265-V273 HydrophobicContact CD2-CG1 4.39Å; F265-V273 PolarHBondContact N-O 2.99Å; F265-V273 PolarHBondContact O-N 2.97Å; T267-V273 HydrophobicContact CG2-CG2 3.85Å |
| 274 | K | 98.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 61.1 Ų | 61.1 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 153.5 | -178.3 | -66.1 | 173.9 | 173.6 | -176.9 | 0 | 111.6 | G261 E262 T272 Q276 | G261-K274 VanDerWaalsContact O-CD 3.26Å; G261-K274 WeakPolarHBondContact O-CD 3.28Å; G261-K274 WeakPolarHBondContact O-CG 3.35Å; E262-K274 CarbonylContact O-C 3.53Å; E262-K274 VanDerWaalsContact O-CA 3.29Å; E262-K274 WeakPolarHBondContact O-CA 3.49Å; T272-K274 HydrophobicContact CG2-CG 4.3Å; K274-Q276 PolarHBondContact O-N 3.37Å |
| 275 | Y | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 120.1 | 170.7 | 178.1 | -125.1 | 0 | 0 | 0 | 110.8 | L258 G261 E262 L264 E279 L300 | L258-Y275 HydrophobicContact CD2-CD1 3.95Å; L258-Y275 HydrophobicContact CD2-CD2 3.92Å; L258-Y275 HydrophobicContact CD2-CE1 4.36Å; L258-Y275 HydrophobicContact CD2-CE2 4.33Å; L258-Y275 HydrophobicContact CD2-CG 3.71Å; L258-Y275 HydrophobicContact CG-CD1 3.77Å; L258-Y275 HydrophobicContact CG-CE1 4.31Å; L258-Y275 HydrophobicContact CG-CG 3.93Å; G261-Y275 PolarHBondContact N-O 3.27Å; E262-Y275 PolarHBondContact O-N 3.15Å; L264-Y275 HydrophobicContact CD2-CD2 4.11Å; Y275-E279 WeakPolarHBondContact CE1-O 3.2Å; Y275-L300 HydrophobicContact CE2-CD1 3.72Å |
| 276 | Q | 97.4 | Very high | 98.1 | Very high | 157 Ų | 157 | 60.4 Ų | 60.4 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | trans | -102.1 | 22 | -178 | -58.4 | -63.5 | -28.7 | 0 | 0 | 112.8 | K274 | K274-Q276 PolarHBondContact O-N 3.37Š| ||
| 277 | G | 95.3 | Very high | 98.1 | Very high | 9 Ų | 9 | 59 Ų | 59 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | trans | -72.8 | 161.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P260 | P260-G277 VanDerWaalsContact CB-O 3.26Å; P260-G277 WeakPolarHBondContact CB-O 3.43Å; P260-G277 WeakPolarHBondContact CG-O 3.42Å | ||
| 278 | D | 96.6 | Very high | 98.1 | Very high | 170 Ų | 170 | 57.9 Ų | 57.9 | 91% | 0.909 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -89.3 | -13.8 | -178.1 | -53.2 | -45.1 | 0 | 0 | 0 | 113.3 | ||
| 279 | E | 97.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -134.7 | 163.4 | 179.8 | 79.2 | -175.4 | 118.3 | 0 | 0 | 111.1 | Y275 L281 R302 | Y275-E279 WeakPolarHBondContact CE1-O 3.2Å; E279-L281 HydrophobicContact CG-CD1 4.2Å; E279-L281 HydrophobicContact CG-CD2 3.73Å; E279-L281 HydrophobicContact CG-CG 3.73Å; E279-R302 VanDerWaalsContact CD-NH2 3.34Å; E279-R302 IonicContact OE1-CZ 3.71Å; E279-R302 IonicContact OE1-NE 3.99Å; E279-R302 IonicContact OE1-NH2 2.69Å; E279-R302 PolarHBondContact OE1-NH2 3Å; E279-R302 IonicContact OE2-CZ 3.53Å; E279-R302 IonicContact OE2-NE 3.04Å; E279-R302 PolarHBondContact OE2-NE 3.32Å; E279-R302 IonicContact OE2-NH2 3.17Å; E279-R302 PolarHBondContact OE2-NH2 2.64Å; E279-R302 VanDerWaalsContact OE2-NH2 3.17Å |
| 280 | A | 98.3 | Very high | 98.1 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | trans | -83.3 | 127.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L257 L258 R259 | L257-A280 HydrophobicContact CD1-CB 3.83Å; L257-A280 HydrophobicContact CD2-CB 3.93Å; L257-A280 HydrophobicContact CG-CB 3.86Å; L258-A280 VanDerWaalsContact O-CA 3.28Å; L258-A280 WeakPolarHBondContact O-CA 3.4Å; R259-A280 HydrophobicContact CG-CB 4Å | ||
| 281 | L | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159 | -176.5 | -66.9 | 177 | 0 | 0 | 0 | 111.1 | V228 L258 E279 L300 R302 | V228-L281 HydrophobicContact CB-CD1 4.36Å; V228-L281 HydrophobicContact CG1-CD1 4.29Å; V228-L281 HydrophobicContact CG2-CD1 4.47Å; V228-L281 HydrophobicContact CG2-CD2 4.16Å; L258-L281 PolarHBondContact N-O 3.16Å; L258-L281 PolarHBondContact O-N 2.97Å; E279-L281 HydrophobicContact CG-CD1 4.2Å; E279-L281 HydrophobicContact CG-CD2 3.73Å; E279-L281 HydrophobicContact CG-CG 3.73Å; L281-L300 HydrophobicContact CB-CB 4.09Å; L281-L300 HydrophobicContact CB-CD2 4.19Å; L281-L300 HydrophobicContact CD1-CB 3.81Å; L281-L300 HydrophobicContact CD1-CD1 4.01Å; L281-L300 HydrophobicContact CD1-CG 4.45Å; L281-R302 HydrophobicContact CD2-CB 4.31Å |
| 282 | Y | 98.8 | Very high | 98.2 | Very high | 59 Ų | 59 | 46.7 Ų | 46.7 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 119.6 | 175.2 | -67 | -88.6 | 0 | 0 | 0 | 109.6 | F225 F255 L257 L300 A301 K303 | F225-Y282 HydrophobicContact CD1-CD2 4.23Å; F225-Y282 AromaticContact CD1-CG 3.97Å; F225-Y282 HydrophobicContact CD1-CG 3.97Å; F225-Y282 AromaticContact CE1-CD1 3.8Å; F225-Y282 HydrophobicContact CE1-CD1 3.8Å; F225-Y282 HydrophobicContact CE1-CD2 4.04Å; F225-Y282 HydrophobicContact CE1-CE1 4.23Å; F225-Y282 HydrophobicContact CE1-CE2 4.46Å; F225-Y282 AromaticContact CE1-CG 3.67Å; F225-Y282 HydrophobicContact CE1-CG 3.67Å; F255-Y282 VanDerWaalsContact O-CD1 3.28Å; F255-Y282 WeakPolarHBondContact O-CD1 3.48Å; L257-Y282 HydrophobicContact CB-CE1 4.23Å; L257-Y282 HydrophobicContact CD1-CD1 4.46Å; L257-Y282 HydrophobicContact CD1-CD2 4.1Å; L257-Y282 HydrophobicContact CD1-CE1 4.23Å; L257-Y282 HydrophobicContact CD1-CE2 3.82Å; L257-Y282 HydrophobicContact CD1-CG 4.42Å; Y282-L300 CarbonylContact O-C 3.55Å; Y282-L300 WeakPolarHBondContact O-CA 3.22Å; Y282-A301 PolarHBondContact N-O 3Å; Y282-A301 PolarHBondContact O-N 3.48Å; Y282-K303 HydrophobicContact CD2-CB 3.82Å; Y282-K303 HydrophobicContact CE2-CB 3.39Å; Y282-K303 HydrophobicContact CE2-CD 4.33Å; Y282-K303 HydrophobicContact CE2-CG 4.47Å |
| 283 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 140.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | L250 D254 F255 I286 L298 S299 L300 | L250-A283 HydrophobicContact CD1-CB 4.47Å; D254-A283 CarbonylContact C-O 3.5Å; D254-A283 WeakPolarHBondContact CA-O 3.49Å; F255-A283 PolarHBondContact N-O 3.15Å; A283-I286 HydrophobicContact CB-CD1 3.77Å; A283-I286 HydrophobicContact CB-CG1 4.04Å; A283-L298 HydrophobicContact CB-CD1 4.1Å; A283-L298 HydrophobicContact CB-CD2 4.26Å; A283-S299 CarbonylContact C-O 3.51Å; A283-S299 VanDerWaalsContact CA-O 3.31Å; A283-S299 WeakPolarHBondContact CA-O 3.22Å; A283-L300 HydrophobicContact CB-CD2 4.06Å |
| 284 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 168.1 | 175.1 | 69.2 | -77.9 | 0 | 0 | 0 | 110.7 | M124 I157 F159 M227 D254 F255 I286 S299 A301 | M124-F284 HydrophobicContact CE-CD2 4.17Å; I157-F284 HydrophobicContact CD1-CD2 3.75Å; I157-F284 HydrophobicContact CD1-CE2 3.93Å; I157-F284 HydrophobicContact CD1-CG 4.5Å; I157-F284 HydrophobicContact CG2-CE2 3.81Å; I157-F284 HydrophobicContact CG2-CZ 3.9Å; F159-F284 HydrophobicContact CE1-CE2 4.07Å; F159-F284 HydrophobicContact CE1-CZ 4.04Å; M227-F284 HydrophobicContact CB-CZ 4.35Å; M227-F284 HydrophobicContact CG-CZ 4.17Å; D254-F284 VanDerWaalsContact OD1-CA 3.28Å; D254-F284 WeakPolarHBondContact OD1-CA 3.3Å; F255-F284 HydrophobicContact CD1-CB 4.13Å; F255-F284 HydrophobicContact CE1-CB 3.7Å; F255-F284 HydrophobicContact CE1-CG 4.14Å; F255-F284 HydrophobicContact CE2-CB 4.12Å; F255-F284 HydrophobicContact CZ-CB 3.71Å; F255-F284 HydrophobicContact CZ-CG 4.33Å; F284-I286 PolarHBondContact O-N 2.93Å; F284-S299 WeakPolarHBondContact CD1-O 3.44Å; F284-S299 PolarHBondContact N-O 3.4Å; F284-S299 PolarHBondContact O-N 2.95Å; F284-A301 HydrophobicContact CD1-CB 4.01Å; F284-A301 HydrophobicContact CE1-CB 3.63Å |
| 285 | F | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 52 | 36.8 | -164.7 | -76.7 | -68 | 0 | 0 | 0 | 111.6 | T120 M124 I129 E180 D254 N287 E288 Y291 | T120-F285 HydrophobicContact CG2-CE1 4.31Å; T120-F285 WeakPolarHBondContact OG1-CD1 3.48Å; M124-F285 HydrophobicContact CE-CD1 4.27Å; M124-F285 HydrophobicContact CE-CD2 4.06Å; M124-F285 HydrophobicContact CE-CE1 4.04Å; M124-F285 HydrophobicContact CE-CE2 3.79Å; M124-F285 HydrophobicContact CE-CG 4.28Å; M124-F285 HydrophobicContact CE-CZ 3.78Å; M124-F285 HydrophobicContact SD-CB 4.23Å; M124-F285 HydrophobicContact SD-CD1 3.32Å; M124-F285 WeakPolarHBondContact SD-CD1 3.34Å; M124-F285 HydrophobicContact SD-CD2 3.94Å; M124-F285 HydrophobicContact SD-CE1 3.53Å; M124-F285 VanDerWaalsContact SD-CE1 3.53Å; M124-F285 HydrophobicContact SD-CE2 4.1Å; M124-F285 HydrophobicContact SD-CG 3.54Å; M124-F285 VanDerWaalsContact SD-CG 3.54Å; M124-F285 HydrophobicContact SD-CZ 3.91Å; M124-F285 PolarHBondContact SD-N 3.49Å; I129-F285 HydrophobicContact CD1-CE2 3.74Å; I129-F285 HydrophobicContact CD1-CZ 3.57Å; E180-F285 HydrophobicContact CG-CE1 4.23Å; E180-F285 HydrophobicContact CG-CZ 4.09Å; D254-F285 PolarHBondContact OD1-N 2.82Å; F285-N287 PolarHBondContact O-N 2.88Å; F285-N287 VanDerWaalsContact O-N 3.13Å; F285-E288 HydrophobicContact CB-CB 4.33Å; F285-E288 HydrophobicContact CD1-CB 4.13Å; F285-E288 HydrophobicContact CD1-CG 4.3Å; F285-E288 PolarHBondContact O-N 3.16Å; F285-Y291 HydrophobicContact CB-CD2 4.27Å; F285-Y291 HydrophobicContact CB-CE2 3.95Å; F285-Y291 HydrophobicContact CD1-CE2 4.02Å; F285-Y291 HydrophobicContact CD2-CE2 4.08Å; F285-Y291 AromaticContact CG-CE2 3.78Å; F285-Y291 HydrophobicContact CG-CE2 3.78Å |
| 286 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 117.4 | -179.2 | -59.3 | 176.6 | 0 | 0 | 0 | 108.3 | A122 I246 L250 D254 A283 F284 L298 | A122-I286 WeakPolarHBondContact CB-O 3.38Å; I246-I286 HydrophobicContact CD1-CG2 4.23Å; I246-I286 HydrophobicContact CG1-CG2 4.2Å; I246-I286 HydrophobicContact CG2-CG2 3.76Å; L250-I286 HydrophobicContact CD1-CD1 3.96Å; L250-I286 HydrophobicContact CG-CD1 4.19Å; D254-I286 HydrophobicContact CB-CD1 4.49Å; D254-I286 PolarHBondContact OD1-N 3Å; A283-I286 HydrophobicContact CB-CD1 3.77Å; A283-I286 HydrophobicContact CB-CG1 4.04Å; F284-I286 PolarHBondContact O-N 2.93Å; I286-L298 HydrophobicContact CG1-CB 4.08Å; I286-L298 HydrophobicContact CG1-CD2 4.4Å |
| 287 | N | 98.8 | Very high | 98 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 38.2 | 178.3 | -153.5 | 3.3 | 0 | 0 | 0 | 113.9 | T121 Y233 I246 Q251 F285 C289 Y292 A297 | T121-N287 PolarHBondContact OG1-O 2.87Å; T121-N287 VanDerWaalsContact OG1-O 3.12Å; Y233-N287 PolarHBondContact OH-OD1 3.35Å; Y233-N287 VanDerWaalsContact OH-OD1 3.14Å; I246-N287 HydrophobicContact CG1-CB 4.01Å; Q251-N287 PolarHBondContact OE1-ND2 3.03Å; F285-N287 PolarHBondContact O-N 2.88Å; F285-N287 VanDerWaalsContact O-N 3.13Å; N287-C289 PolarHBondContact O-N 3.17Å; N287-Y292 VanDerWaalsContact OD1-CE2 3.27Å; N287-Y292 WeakPolarHBondContact OD1-CE2 3.46Å; N287-Y292 PolarHBondContact OD1-OH 2.96Å; N287-A297 PolarHBondContact N-O 3.1Å |
| 288 | E | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | trans | -64.2 | 121.4 | 170.2 | 170.3 | 48.2 | -130.8 | 0 | 0 | 110.4 | T120 T121 H186 F285 A290 Y291 | T120-E288 VanDerWaalsContact CA-OE2 3.24Å; T120-E288 WeakPolarHBondContact CA-OE2 3.45Å; T120-E288 WeakPolarHBondContact CB-OE2 3.44Å; T120-E288 PolarHBondContact OG1-OE2 3.48Å; T121-E288 PolarHBondContact N-OE2 3.21Å; T121-E288 WeakPolarHBondContact OG1-CA 3.24Å; T121-E288 PolarHBondContact OG1-OE2 2.74Å; H186-E288 IonicContact CD2-OE1 3.67Å; H186-E288 IonicContact CE1-OE1 2.7Å; H186-E288 IonicContact NE2-OE1 3.78Å; H186-E288 PolarHBondContact NE2-OE1 2.89Å; F285-E288 HydrophobicContact CB-CB 4.33Å; F285-E288 HydrophobicContact CD1-CB 4.13Å; F285-E288 HydrophobicContact CD1-CG 4.3Å; F285-E288 PolarHBondContact O-N 3.16Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 HydrophobicContact CG-CB 4.31Å; E288-A290 PolarHBondContact O-N 3.44Å; E288-A290 VanDerWaalsContact OE1-CB 3.24Å; E288-A290 WeakPolarHBondContact OE1-CB 3.39Å; E288-A290 PolarHBondContact OE1-N 3.3Å; E288-Y291 HydrophobicContact CB-CD1 4.47Å; E288-Y291 HydrophobicContact CB-CD2 3.85Å; E288-Y291 HydrophobicContact CB-CE2 4.37Å; E288-Y291 HydrophobicContact CB-CG 3.9Å; E288-Y291 HydrophobicContact CG-CD1 3.67Å; E288-Y291 HydrophobicContact CG-CD2 3.87Å; E288-Y291 HydrophobicContact CG-CE1 3.96Å; E288-Y291 HydrophobicContact CG-CE2 4.19Å; E288-Y291 HydrophobicContact CG-CG 3.6Å; E288-Y291 WeakPolarHBondContact O-CB 3.34Å; E288-Y291 PolarHBondContact O-N 2.8Å | ||
| 289 | C | 97.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 29.4 Ų | 29.4 | 39% | 0.392 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -67.1 | -32.6 | -171.7 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | T121 H186 N287 Y291 Y292 | T121-C289 HydrophobicContact CG2-CB 4.06Å; T121-C289 WeakPolarHBondContact CG2-SG 3.45Å; T121-C289 PolarHBondContact OG1-N 2.87Å; H186-C289 PolarHBondContact CD2-SG 2.91Å; H186-C289 PolarHBondContact NE2-SG 3.46Å; N287-C289 PolarHBondContact O-N 3.17Å; C289-Y291 PolarHBondContact O-N 2.94Å; C289-Y292 WeakPolarHBondContact O-CD2 3.42Å |
| 290 | A | 98 | Very high | 98.3 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 8% | 0.083 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -69.6 | -11 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E288 | E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 HydrophobicContact CG-CB 4.31Å; E288-A290 PolarHBondContact O-N 3.44Å; E288-A290 VanDerWaalsContact OE1-CB 3.24Å; E288-A290 WeakPolarHBondContact OE1-CB 3.39Å; E288-A290 PolarHBondContact OE1-N 3.3Å |
| 291 | Y | 98.6 | Very high | 98.3 | Very high | 25 Ų | 25 | 24 Ų | 24 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -98.5 | -6.5 | -172.5 | -77.3 | 13.2 | 0 | 0 | 0 | 113.3 | F285 E288 C289 E293 K294 G295 I296 | F285-Y291 HydrophobicContact CB-CD2 4.27Å; F285-Y291 HydrophobicContact CB-CE2 3.95Å; F285-Y291 HydrophobicContact CD1-CE2 4.02Å; F285-Y291 HydrophobicContact CD2-CE2 4.08Å; F285-Y291 AromaticContact CG-CE2 3.78Å; F285-Y291 HydrophobicContact CG-CE2 3.78Å; E288-Y291 HydrophobicContact CB-CD1 4.47Å; E288-Y291 HydrophobicContact CB-CD2 3.85Å; E288-Y291 HydrophobicContact CB-CE2 4.37Å; E288-Y291 HydrophobicContact CB-CG 3.9Å; E288-Y291 HydrophobicContact CG-CD1 3.67Å; E288-Y291 HydrophobicContact CG-CD2 3.87Å; E288-Y291 HydrophobicContact CG-CE1 3.96Å; E288-Y291 HydrophobicContact CG-CE2 4.19Å; E288-Y291 HydrophobicContact CG-CG 3.6Å; E288-Y291 WeakPolarHBondContact O-CB 3.34Å; E288-Y291 PolarHBondContact O-N 2.8Å; C289-Y291 PolarHBondContact O-N 2.94Å; Y291-E293 PolarHBondContact O-N 2.93Å; Y291-K294 HydrophobicContact CD1-CD 3.96Å; Y291-K294 HydrophobicContact CE1-CD 4.4Å; Y291-K294 CarbonylContact O-C 3.59Å; Y291-K294 WeakPolarHBondContact O-CA 3.49Å; Y291-K294 PolarHBondContact O-N 2.82Å; Y291-G295 PolarHBondContact O-N 3.06Å; Y291-I296 CarbonylContact C-O 3.53Å; Y291-I296 VanDerWaalsContact CB-O 3.3Å; Y291-I296 WeakPolarHBondContact CB-O 3.39Å; Y291-I296 HydrophobicContact CD2-CB 4.16Å; Y291-I296 HydrophobicContact CD2-CG2 3.88Å; Y291-I296 HydrophobicContact CG-CB 4.39Å; Y291-I296 PolarHBondContact O-N 3.36Å; Y291-I296 VanDerWaalsContact O-N 3.08Å |
| 292 | Y | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 27.7 Ų | 27.7 | 35% | 0.349 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -45.4 | 173.9 | -84.8 | -107.7 | 0 | 0 | 0 | 112.6 | Y233 R235 I242 N287 C289 K294 G295 | Y233-Y292 HydrophobicContact CE1-CE1 4.36Å; Y233-Y292 HydrophobicContact CE2-CD1 4.06Å; Y233-Y292 HydrophobicContact CE2-CD2 4.23Å; Y233-Y292 HydrophobicContact CE2-CE1 4Å; Y233-Y292 HydrophobicContact CE2-CE2 4.18Å; Y233-Y292 HydrophobicContact CE2-CG 4.17Å; Y233-Y292 AromaticContact CZ-CE1 3.83Å; Y233-Y292 AromaticContact CZ-CE2 3.86Å; Y233-Y292 AromaticContact CZ-CZ 3.56Å; Y233-Y292 WeakPolarHBondContact OH-CE2 3.22Å; Y233-Y292 PolarHBondContact OH-OH 3.32Å; R235-Y292 PolarHBondContact NH2-O 3.38Å; I242-Y292 HydrophobicContact CD1-CD1 3.47Å; I242-Y292 VanDerWaalsContact CD1-CD1 3.47Å; I242-Y292 HydrophobicContact CD1-CE1 3.76Å; N287-Y292 VanDerWaalsContact OD1-CE2 3.27Å; N287-Y292 WeakPolarHBondContact OD1-CE2 3.46Å; N287-Y292 PolarHBondContact OD1-OH 2.96Å; C289-Y292 WeakPolarHBondContact O-CD2 3.42Å; Y292-K294 PolarHBondContact O-N 3.45Å; Y292-G295 PolarHBondContact O-N 2.96Å |
| 293 | E | 96.2 | Very high | 98.3 | Very high | 115 Ų | 115 | 28.9 Ų | 28.9 | 54% | 0.537 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.7 | 176.3 | 69.5 | 177.6 | -164.8 | 0 | 0 | 112.5 | Y66 Y291 G295 | Y66-E293 PolarHBondContact OH-OE1 2.95Å; Y66-E293 PolarHBondContact OH-OE2 3.03Å; Y291-E293 PolarHBondContact O-N 2.93Å; E293-G295 VanDerWaalsContact C-N 3.32Å |
| 294 | K | 96.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 34.3 Ų | 34.3 | 27% | 0.27 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.9 | -176.3 | -50.9 | -168.8 | -167.8 | -59 | 0 | 112.2 | D70 Y291 Y292 I296 | D70-K294 WeakPolarHBondContact OD2-CE 3.47Å; D70-K294 IonicContact OD2-NZ 3.2Å; D70-K294 PolarHBondContact OD2-NZ 2.97Å; Y291-K294 HydrophobicContact CD1-CD 3.96Å; Y291-K294 HydrophobicContact CE1-CD 4.4Å; Y291-K294 CarbonylContact O-C 3.59Å; Y291-K294 WeakPolarHBondContact O-CA 3.49Å; Y291-K294 PolarHBondContact O-N 2.82Å; Y292-K294 PolarHBondContact O-N 3.45Å; K294-I296 HydrophobicContact CB-CD1 3.99Å; K294-I296 HydrophobicContact CB-CG1 4.2Å |
| 295 | G | 97.9 | Very high | 98.1 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 39.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D232 Y291 Y292 E293 | D232-G295 WeakPolarHBondContact CA-O 3.39Å; D232-G295 WeakPolarHBondContact CB-O 3.27Å; D232-G295 VanDerWaalsContact CG-C 3.46Å; D232-G295 VanDerWaalsContact CG-CA 3.45Å; D232-G295 WeakPolarHBondContact OD1-CA 3.49Å; Y291-G295 PolarHBondContact O-N 3.06Å; Y292-G295 PolarHBondContact O-N 2.96Å; E293-G295 VanDerWaalsContact C-N 3.32Å |
| 296 | I | 98.6 | Very high | 98 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | trans | -127.4 | 110.9 | 179.8 | -54.2 | 167.6 | 0 | 0 | 0 | 108 | N230 Y291 K294 | N230-I296 HydrophobicContact CB-CD1 4.4Å; N230-I296 HydrophobicContact CB-CG1 3.94Å; N230-I296 HydrophobicContact CB-CG2 4.05Å; N230-I296 WeakPolarHBondContact ND2-CD1 3.42Å; Y291-I296 CarbonylContact C-O 3.53Å; Y291-I296 VanDerWaalsContact CB-O 3.3Å; Y291-I296 WeakPolarHBondContact CB-O 3.39Å; Y291-I296 HydrophobicContact CD2-CB 4.16Å; Y291-I296 HydrophobicContact CD2-CG2 3.88Å; Y291-I296 HydrophobicContact CG-CB 4.39Å; Y291-I296 PolarHBondContact O-N 3.36Å; Y291-I296 VanDerWaalsContact O-N 3.08Å; K294-I296 HydrophobicContact CB-CD1 3.99Å; K294-I296 HydrophobicContact CB-CG1 4.2Å | ||
| 297 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -85.1 | -37.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V231 Y233 I246 F265 N287 | V231-A297 WeakPolarHBondContact O-CA 3.48Å; V231-A297 WeakPolarHBondContact O-CB 3.32Å; V231-A297 PolarHBondContact O-N 2.89Å; Y233-A297 HydrophobicContact CD1-CB 3.77Å; Y233-A297 HydrophobicContact CD2-CB 3.65Å; Y233-A297 HydrophobicContact CE1-CB 3.63Å; Y233-A297 VanDerWaalsContact CE2-CA 3.4Å; Y233-A297 HydrophobicContact CE2-CB 3.52Å; Y233-A297 HydrophobicContact CG-CB 3.76Å; Y233-A297 VanDerWaalsContact CZ-CB 3.49Å; I246-A297 HydrophobicContact CD1-CB 4.06Å; F265-A297 HydrophobicContact CE1-CB 3.64Å; F265-A297 HydrophobicContact CZ-CB 3.88Å; N287-A297 PolarHBondContact N-O 3.1Å |
| 298 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 162.9 | 172.2 | 62.2 | 86.5 | 0 | 0 | 0 | 110.7 | V231 I246 L250 L264 A283 I286 L300 | V231-L298 HydrophobicContact CB-CD1 4.11Å; V231-L298 HydrophobicContact CB-CG 4.3Å; V231-L298 HydrophobicContact CG2-CD1 3.95Å; V231-L298 PolarHBondContact N-O 3.36Å; V231-L298 PolarHBondContact O-N 3.4Å; I246-L298 HydrophobicContact CD1-CD2 4.09Å; L250-L298 HydrophobicContact CD2-CD2 3.71Å; L264-L298 HydrophobicContact CD1-CD2 3.7Å; A283-L298 HydrophobicContact CB-CD1 4.1Å; A283-L298 HydrophobicContact CB-CD2 4.26Å; I286-L298 HydrophobicContact CG1-CB 4.08Å; I286-L298 HydrophobicContact CG1-CD2 4.4Å; L298-L300 HydrophobicContact CD1-CD2 3.44Å; L298-L300 VanDerWaalsContact CD1-CD2 3.44Å; L298-L300 HydrophobicContact CD1-CG 3.67Å |
| 299 | S | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.1 | 168.5 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | N230 A283 F284 | N230-S299 PolarHBondContact OD1-OG 2.98Å; A283-S299 CarbonylContact C-O 3.51Å; A283-S299 VanDerWaalsContact CA-O 3.31Å; A283-S299 WeakPolarHBondContact CA-O 3.22Å; F284-S299 WeakPolarHBondContact CD1-O 3.44Å; F284-S299 PolarHBondContact N-O 3.4Å; F284-S299 PolarHBondContact O-N 2.95Å |
| 300 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.8 | 175.9 | -64.2 | 174.5 | 0 | 0 | 0 | 110 | V228 K229 V231 L258 Y275 L281 Y282 A283 L298 | V228-L300 PolarHBondContact N-O 3.4Å; K229-L300 HydrophobicContact CG-CB 4.44Å; K229-L300 HydrophobicContact CG-CD1 4.21Å; K229-L300 PolarHBondContact N-O 3.08Å; K229-L300 PolarHBondContact O-N 2.71Å; V231-L300 HydrophobicContact CG2-CD1 3.58Å; V231-L300 HydrophobicContact CG2-CG 3.98Å; L258-L300 HydrophobicContact CD2-CD2 4.08Å; Y275-L300 HydrophobicContact CE2-CD1 3.72Å; L281-L300 HydrophobicContact CB-CB 4.09Å; L281-L300 HydrophobicContact CB-CD2 4.19Å; L281-L300 HydrophobicContact CD1-CB 3.81Å; L281-L300 HydrophobicContact CD1-CD1 4.01Å; L281-L300 HydrophobicContact CD1-CG 4.45Å; Y282-L300 CarbonylContact O-C 3.55Å; Y282-L300 WeakPolarHBondContact O-CA 3.22Å; A283-L300 HydrophobicContact CB-CD2 4.06Å; L298-L300 HydrophobicContact CD1-CD2 3.44Å; L298-L300 VanDerWaalsContact CD1-CD2 3.44Å; L298-L300 HydrophobicContact CD1-CG 3.67Å |
| 301 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F225 T226 Y282 F284 | F225-A301 HydrophobicContact CB-CB 3.93Å; T226-A301 CarbonylContact O-C 3.4Å; T226-A301 WeakPolarHBondContact O-CA 3.48Å; T226-A301 WeakPolarHBondContact O-CB 3.34Å; Y282-A301 PolarHBondContact N-O 3Å; Y282-A301 PolarHBondContact O-N 3.48Å; F284-A301 HydrophobicContact CD1-CB 4.01Å; F284-A301 HydrophobicContact CE1-CB 3.63Å |
| 302 | R | 98.3 | Very high | 97.5 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 30% | 0.302 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129 | 167.3 | -166.2 | 174.4 | -60.8 | 103.1 | -6.9 | 109.1 | T226 V228 E279 L281 | T226-R302 PolarHBondContact N-O 3.4Å; T226-R302 PolarHBondContact O-N 3.31Å; V228-R302 HydrophobicContact CG2-CB 4.09Å; E279-R302 VanDerWaalsContact CD-NH2 3.34Å; E279-R302 IonicContact OE1-CZ 3.71Å; E279-R302 IonicContact OE1-NE 3.99Å; E279-R302 IonicContact OE1-NH2 2.69Å; E279-R302 PolarHBondContact OE1-NH2 3Å; E279-R302 IonicContact OE2-CZ 3.53Å; E279-R302 IonicContact OE2-NE 3.04Å; E279-R302 PolarHBondContact OE2-NE 3.32Å; E279-R302 IonicContact OE2-NH2 3.17Å; E279-R302 PolarHBondContact OE2-NH2 2.64Å; E279-R302 VanDerWaalsContact OE2-NH2 3.17Å; L281-R302 HydrophobicContact CD2-CB 4.31Å |
| 303 | K | 98.2 | Very high | 97.3 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.9 | 172.8 | -172.2 | -179 | -177.5 | -174.1 | 0 | 109.6 | D223 V224 F225 Y282 | D223-K303 VanDerWaalsContact CB-CE 3.48Å; D223-K303 WeakPolarHBondContact OD2-CE 3.31Å; D223-K303 IonicContact OD2-NZ 2.95Å; D223-K303 PolarHBondContact OD2-NZ 3.31Å; V224-K303 CarbonylContact O-C 3.58Å; V224-K303 WeakPolarHBondContact O-CA 3.27Å; F225-K303 HydrophobicContact CD1-CB 4.28Å; F225-K303 HydrophobicContact CE1-CB 4.14Å; F225-K303 HydrophobicContact CE1-CD 4.26Å; F225-K303 HydrophobicContact CE1-CG 4.21Å; F225-K303 HydrophobicContact CZ-CD 4.07Å; F225-K303 HydrophobicContact CZ-CG 4.24Å; Y282-K303 HydrophobicContact CD2-CB 3.82Å; Y282-K303 HydrophobicContact CE2-CB 3.39Å; Y282-K303 HydrophobicContact CE2-CD 4.33Å; Y282-K303 HydrophobicContact CE2-CG 4.47Å |
| 304 | R | 96.5 | Very high | 97 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 161.4 | 174.4 | -65.3 | -179.7 | 175.2 | 169.8 | 0.4 | 109.1 | D223 V224 | D223-R304 CarbonylContact C-O 3.53Å; D223-R304 WeakPolarHBondContact CA-O 3.26Å; V224-R304 PolarHBondContact N-O 3.41Å; V224-R304 PolarHBondContact O-N 2.85Å |
| 305 | R | 97.3 | Very high | 96 | Very high | 167 Ų | 167 | 41.1 Ų | 41.1 | 63% | 0.63 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.1 | 173.7 | -179.4 | 168.3 | -70.9 | -178.8 | -1.8 | 108.5 | P221 V222 D223 | P221-R305 HydrophobicContact CB-CG 3.91Å; V222-R305 WeakPolarHBondContact O-CA 3.34Å; D223-R305 IonicContact OD1-CZ 3.73Å; D223-R305 IonicContact OD1-NE 3.76Å; D223-R305 PolarHBondContact OD1-NE 3.47Å; D223-R305 IonicContact OD1-NH2 2.81Å; D223-R305 PolarHBondContact OD1-NH2 3.34Å; D223-R305 IonicContact OD2-NH2 3.53Å |
| 306 | V | 96.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 155 | 172 | -57 | 0 | 0 | 0 | 0 | 109.1 | D133 L139 P221 V222 V224 | D133-V306 HydrophobicContact CB-CG1 4.37Å; L139-V306 HydrophobicContact CD1-CG2 4.33Å; L139-V306 HydrophobicContact CD2-CG2 4.39Å; P221-V306 CarbonylContact C-O 3.56Å; P221-V306 VanDerWaalsContact CA-O 3.31Å; P221-V306 WeakPolarHBondContact CA-O 3.03Å; V222-V306 HydrophobicContact CB-CG2 3.9Å; V222-V306 PolarHBondContact N-O 2.92Å; V222-V306 PolarHBondContact O-N 2.74Å; V224-V306 HydrophobicContact CG2-CG1 4.35Å; V224-V306 HydrophobicContact CG2-CG2 3.76Å |
| 307 | T | 96.1 | Very high | 92.2 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.6 | 174 | -57.1 | 0 | 0 | 0 | 0 | 108 | ||
| 308 | V | 96 | Very high | 89.8 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.8 | 173.2 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | L139 G219 G220 V222 | L139-V308 HydrophobicContact CB-CG1 3.61Å; L139-V308 HydrophobicContact CD1-CG1 3.5Å; L139-V308 VanDerWaalsContact CD1-CG1 3.5Å; L139-V308 HydrophobicContact CG-CG1 4.16Å; G219-V308 CarbonylContact C-O 3.57Å; G219-V308 WeakPolarHBondContact CA-O 3.47Å; G220-V308 PolarHBondContact N-O 2.98Å; G220-V308 VanDerWaalsContact O-CG2 3.28Å; G220-V308 WeakPolarHBondContact O-CG2 3.21Å; G220-V308 PolarHBondContact O-N 3.43Å; V222-V308 HydrophobicContact CG2-CG1 4.4Å; V222-V308 HydrophobicContact CG2-CG2 4.46Å |
| 309 | P | 97 | Very high | 87.2 | Confident | 38 Ų | 38 | 69.9 Ų | 69.9 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 165 | 175.2 | 32.4 | -35.3 | 0 | 0 | 0 | 110.8 | V7 W136 H140 G219 I311 | V7-P309 HydrophobicContact CG2-CB 3.89Å; V7-P309 HydrophobicContact CG2-CG 3.79Å; W136-P309 HydrophobicContact CD2-CG 3.52Å; W136-P309 VanDerWaalsContact CE2-CD 3.41Å; W136-P309 HydrophobicContact CE3-CG 3.67Å; W136-P309 HydrophobicContact CG-CG 4.14Å; W136-P309 HydrophobicContact CH2-CG 3.89Å; W136-P309 HydrophobicContact CZ2-CG 3.73Å; W136-P309 HydrophobicContact CZ3-CG 3.88Å; H140-P309 PolarHBondContact CE1-O 3.23Å; H140-P309 PolarHBondContact NE2-O 3.25Å; G219-P309 VanDerWaalsContact CA-C 3.49Å; G219-P309 WeakPolarHBondContact CA-O 3.42Å; P309-I311 HydrophobicContact CG-CG2 4.43Å |
| 310 | S | 97.4 | Very high | 86.7 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.3 | 165 | -59 | 0 | 0 | 0 | 0 | 109.2 | P6 V7 F217 E218 G219 | P6-S310 CarbonylContact C-O 3.52Å; P6-S310 WeakPolarHBondContact CA-O 3.14Å; V7-S310 PolarHBondContact N-O 3Å; F217-S310 CarbonylContact O-C 3.53Å; F217-S310 WeakPolarHBondContact O-CA 3.28Å; E218-S310 WeakPolarHBondContact CA-OG 3.19Å; E218-S310 PolarHBondContact OE2-OG 3.44Å; G219-S310 PolarHBondContact N-OG 3.33Å |
| 311 | I | 97 | Very high | 86 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153 | -178.8 | 66.5 | 168.9 | 0 | 0 | 0 | 111.9 | V7 L9 W136 H140 W207 F211 V216 F217 P309 | V7-I311 HydrophobicContact CB-CG2 4.25Å; V7-I311 CarbonylContact O-C 3.21Å; V7-I311 VanDerWaalsContact O-CA 3.24Å; V7-I311 WeakPolarHBondContact O-CA 3.32Å; L9-I311 HydrophobicContact CD1-CB 4.17Å; L9-I311 HydrophobicContact CD1-CD1 3.96Å; L9-I311 HydrophobicContact CD1-CG2 3.96Å; W136-I311 HydrophobicContact CB-CG2 4.36Å; H140-I311 HydrophobicContact CB-CD1 4.16Å; H140-I311 WeakPolarHBondContact CD2-CD1 3.24Å; W207-I311 HydrophobicContact CH2-CD1 4.18Å; W207-I311 HydrophobicContact CZ2-CD1 3.96Å; F211-I311 HydrophobicContact CD2-CD1 4.31Å; F211-I311 HydrophobicContact CE2-CD1 4Å; F211-I311 HydrophobicContact CE2-CG1 4.27Å; V216-I311 WeakPolarHBondContact CA-O 3.42Å; F217-I311 HydrophobicContact CB-CG1 3.93Å; F217-I311 PolarHBondContact N-O 3.43Å; F217-I311 PolarHBondContact O-N 3.29Å; P309-I311 HydrophobicContact CG-CG2 4.43Å |
| 312 | H | 94.9 | Very high | 85.3 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 18% | 0.181 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 158.9 | 174.7 | -177.5 | -104.9 | 0 | 0 | 0 | 109.5 | P6 V7 R8 L9 G214 V216 | P6-H312 HydrophobicContact CB-CB 4.08Å; V7-H312 PolarHBondContact O-N 3.11Å; R8-H312 CarbonylContact C-O 3.6Å; R8-H312 VanDerWaalsContact CA-O 3.28Å; R8-H312 WeakPolarHBondContact CA-O 3.28Å; L9-H312 PolarHBondContact N-O 3.27Å; G214-H312 WeakPolarHBondContact CA-NE2 3.44Å; G214-H312 PolarHBondContact O-CD2 2.81Å; G214-H312 VanDerWaalsContact O-CD2 3.26Å; G214-H312 PolarHBondContact O-NE2 3.1Å; V216-H312 HydrophobicContact CG2-CB 4.25Å |
| 313 | V | 94.7 | Very high | 84.6 | Confident | 10 Ų | 10 | 81.5 Ų | 81.5 | 6% | 0.061 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 143 | 177.3 | 72.9 | 0 | 0 | 0 | 0 | 110.9 | L9 R11 F211 | L9-V313 CarbonylContact O-C 3.36Å; L9-V313 WeakPolarHBondContact O-CA 3.26Å; R11-V313 HydrophobicContact CB-CG2 3.92Å; R11-V313 HydrophobicContact CG-CG2 4.3Å; F211-V313 HydrophobicContact CD1-CG2 4.49Å; F211-V313 HydrophobicContact CE1-CB 4.03Å; F211-V313 HydrophobicContact CE1-CG2 3.89Å; F211-V313 HydrophobicContact CE2-CB 4.23Å; F211-V313 HydrophobicContact CZ-CB 3.85Å; F211-V313 HydrophobicContact CZ-CG2 4.12Å; F211-V313 WeakPolarHBondContact O-CB 3.45Å; F211-V313 WeakPolarHBondContact O-CG1 3.32Å |
| 314 | Q | 90.7 | Very high | 83.7 | Confident | 67 Ų | 67 | 81.4 Ų | 81.4 | 31% | 0.313 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 137.2 | 167 | -72.6 | 172.5 | -3.6 | 0 | 0 | 109.3 | R8 L9 | R8-Q314 HydrophobicContact CB-CG 3.51Å; R8-Q314 PolarHBondContact O-NE2 3.18Å; L9-Q314 PolarHBondContact O-N 3.04Å |
| 315 | T | 75.8 | Confident | 82.9 | Confident | 60 Ų | 60 | 79.3 Ų | 79.3 | 37% | 0.368 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 148.5 | 173.1 | 48 | 0 | 0 | 0 | 0 | 109.9 | E317 E318 | T315-E317 PolarHBondContact O-N 2.91Å; T315-E318 PolarHBondContact O-N 3.04Å |
| 316 | D | 63 | Low | 81.9 | Confident | 131 Ų | 131 | 73 Ų | 73 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -57.1 | -9.6 | -178.1 | -60 | -25.4 | 0 | 0 | 0 | 114.4 | E318 | D316-E318 VanDerWaalsContact C-N 3.28Š|
| 317 | E | 52.8 | Low | 80.7 | Confident | 185 Ų | 185 | 76.4 Ų | 76.4 | 86% | 0.864 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -79.2 | -3.3 | 173.2 | -62.8 | -176.5 | 168.3 | 0 | 0 | 114 | T315 | T315-E317 PolarHBondContact O-N 2.91Š|
| 318 | E | 48.8 | Very low | 79.4 | Confident | 93 Ų | 93 | 73.4 Ų | 73.4 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -116.7 | 6.2 | -174 | -59.9 | -176.1 | 147.8 | 0 | 0 | 114.9 | R8 T315 D316 | R8-E318 WeakPolarHBondContact CD-OE2 3.26Å; R8-E318 IonicContact CZ-OE1 3.34Å; R8-E318 IonicContact CZ-OE2 3.62Å; R8-E318 IonicContact NE-OE1 3.29Å; R8-E318 IonicContact NE-OE2 3.89Å; R8-E318 IonicContact NH1-OE1 3.48Å; R8-E318 PolarHBondContact NH1-OE1 3.41Å; R8-E318 IonicContact NH1-OE2 3.75Å; R8-E318 PolarHBondContact NH1-OE2 2.69Å; R8-E318 IonicContact NH2-OE1 3.76Å; T315-E318 PolarHBondContact O-N 3.04Å; D316-E318 VanDerWaalsContact C-N 3.28Å |
| 319 | E | 44.9 | Very low | 77.9 | Confident | 232 Ų | 232 | 79.9 Ų | 79.9 | 100% | 1.084 | 40% | 0.402 | S | S | * | . | trans | -84.1 | 0 | 169.4 | -76.7 | -165.9 | 155.8 | 0 | 0 | 113 |
Retrieved 319 of 319 residues in 452.6 ms
(Link to these results)