| 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 | 62.8 | Low | 88.2 | Confident | 98 Ų | 98 | 58.5 Ų | 58.5 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | 0 | 139.1 | 0 | -174.3 | 172.2 | -75.9 | 0 | 0 | 108.9 | N8 V32 I33 F228 | M1-N8 VanDerWaalsContact CE-ND2 3.29Å; M1-N8 WeakPolarHBondContact CE-ND2 3.4Å; M1-V32 HydrophobicContact CE-CB 4.47Å; M1-V32 HydrophobicContact CE-CG1 4.47Å; M1-V32 WeakPolarHBondContact CE-O 3.29Å; M1-V32 HydrophobicContact SD-CB 4.06Å; M1-V32 HydrophobicContact SD-CG1 3.59Å; M1-V32 VanDerWaalsContact SD-CG1 3.59Å; M1-I33 WeakPolarHBondContact CE-O 3.23Å; M1-F228 HydrophobicContact CG-CE2 4.36Å; M1-F228 VanDerWaalsContact O-CD2 3.31Å; M1-F228 WeakPolarHBondContact O-CD2 3.48Å | |||
| 2 | T | 78.3 | Confident | 89.1 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | trans | -112.8 | 139.2 | 176.2 | -53 | 0 | 0 | 0 | 0 | 108.2 | G4 R5 | T2-G4 PolarHBondContact O-N 3.27Å; T2-R5 PolarHBondContact O-N 3.37Å | ||
| 3 | I | 82.6 | Confident | 89.8 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 134.2 | 179.2 | -56.6 | -178.1 | 0 | 0 | 0 | 109.9 | A35 R37 F228 Q231 R233 | I3-A35 HydrophobicContact CG1-CB 4.42Å; I3-R37 HydrophobicContact CG2-CG 4.03Å; I3-F228 HydrophobicContact CB-CE2 4.49Å; I3-F228 HydrophobicContact CD1-CD2 4.4Å; I3-F228 HydrophobicContact CD1-CE2 4.49Å; I3-F228 HydrophobicContact CG1-CD2 3.59Å; I3-F228 HydrophobicContact CG1-CE2 3.47Å; I3-F228 VanDerWaalsContact CG1-CE2 3.47Å; I3-F228 HydrophobicContact CG1-CZ 4.46Å; I3-Q231 HydrophobicContact CD1-CB 3.73Å; I3-Q231 HydrophobicContact CD1-CG 4.49Å; I3-R233 HydrophobicContact CD1-CB 4.17Å; I3-R233 VanDerWaalsContact CD1-CD 3.49Å; I3-R233 HydrophobicContact CD1-CG 4.44Å |
| 4 | G | 79.4 | Confident | 90.2 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 22% | 0.216 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -1.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T2 A35 G124 | T2-G4 PolarHBondContact O-N 3.27Å; G4-A35 PolarHBondContact N-O 2.79Å; G4-G124 WeakPolarHBondContact O-CA 3.35Å |
| 5 | R | 88.1 | Confident | 90.3 | Very high | 135 Ų | 135 | 67.7 Ų | 67.7 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | trans | -82.8 | 126 | 169.5 | -71 | -167.8 | 180 | -171.5 | -0 | 110.6 | T2 E7 | T2-R5 PolarHBondContact O-N 3.37Å; R5-E7 IonicContact NH1-OE2 2.68Å | ||
| 6 | M | 94.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 69.1 Ų | 69.1 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | trans | -109.5 | 22.5 | -177.4 | -60.2 | -60.9 | 165.8 | 0 | 0 | 112.7 | N8 V9 F34 G124 L126 N200 | M6-N8 PolarHBondContact O-N 3.26Å; M6-N8 VanDerWaalsContact O-N 3.1Å; M6-V9 HydrophobicContact CB-CG2 3.95Å; M6-V9 WeakPolarHBondContact O-CG2 3.42Å; M6-V9 PolarHBondContact O-N 2.66Å; M6-V9 VanDerWaalsContact O-N 3.14Å; M6-V9 HydrophobicContact SD-CG2 4.25Å; M6-F34 HydrophobicContact CE-CB 4.32Å; M6-F34 HydrophobicContact CE-CD2 3.7Å; M6-F34 HydrophobicContact CE-CE2 4.22Å; M6-F34 HydrophobicContact CE-CG 4.1Å; M6-F34 HydrophobicContact SD-CB 3.73Å; M6-F34 HydrophobicContact SD-CD1 4.06Å; M6-F34 HydrophobicContact SD-CD2 3.86Å; M6-F34 HydrophobicContact SD-CE2 4.47Å; M6-F34 HydrophobicContact SD-CG 3.63Å; M6-G124 WeakPolarHBondContact CG-O 3.31Å; M6-L126 HydrophobicContact CB-CD1 4.06Å; M6-L126 HydrophobicContact CB-CD2 4.07Å; M6-L126 HydrophobicContact CB-CG 4.09Å; M6-L126 HydrophobicContact CG-CD1 4.2Å; M6-L126 HydrophobicContact CG-CD2 4.49Å; M6-L126 HydrophobicContact CG-CG 4.07Å; M6-N200 HydrophobicContact CE-CB 3.51Å; M6-N200 WeakPolarHBondContact CE-ND2 3.43Å; M6-N200 HydrophobicContact SD-CB 4.06Å | ||
| 7 | E | 94.1 | Very high | 90.8 | Very high | 117 Ų | 117 | 69.8 Ų | 69.8 | 55% | 0.547 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.5 | -175.9 | 66.5 | -161.6 | -168.5 | 0 | 0 | 114.5 | R5 T24 | R5-E7 IonicContact NH1-OE2 2.68Å; E7-T24 PolarHBondContact O-OG1 3.31Å |
| 8 | N | 97.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.8 | -178.5 | -45.5 | -58.7 | 0 | 0 | 0 | 114.1 | M1 M6 T24 K25 F27 I33 | M1-N8 VanDerWaalsContact CE-ND2 3.29Å; M1-N8 WeakPolarHBondContact CE-ND2 3.4Å; M6-N8 PolarHBondContact O-N 3.26Å; M6-N8 VanDerWaalsContact O-N 3.1Å; N8-T24 WeakPolarHBondContact CA-OG1 3.27Å; N8-T24 PolarHBondContact O-N 2.89Å; N8-T24 PolarHBondContact O-OG1 3.33Å; N8-K25 WeakPolarHBondContact OD1-CE 3.37Å; N8-K25 PolarHBondContact OD1-NZ 2.97Å; N8-F27 HydrophobicContact CB-CE1 4.21Å; N8-F27 HydrophobicContact CB-CE2 4.31Å; N8-F27 HydrophobicContact CB-CZ 3.44Å; N8-F27 VanDerWaalsContact CB-CZ 3.44Å; N8-I33 PolarHBondContact ND2-O 2.88Å |
| 9 | V | 98.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 68.9 Ų | 68.9 | 5% | 0.048 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154 | -177.6 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | M6 L21 K22 I33 F34 L126 L248 | M6-V9 HydrophobicContact CB-CG2 3.95Å; M6-V9 WeakPolarHBondContact O-CG2 3.42Å; M6-V9 PolarHBondContact O-N 2.66Å; M6-V9 VanDerWaalsContact O-N 3.14Å; M6-V9 HydrophobicContact SD-CG2 4.25Å; V9-L21 HydrophobicContact CB-CD1 4.43Å; V9-L21 HydrophobicContact CG2-CD1 4.24Å; V9-K22 WeakPolarHBondContact CA-O 3.4Å; V9-I33 HydrophobicContact CG1-CG2 3.44Å; V9-I33 VanDerWaalsContact CG1-CG2 3.44Å; V9-F34 HydrophobicContact CG1-CD1 4.16Å; V9-F34 HydrophobicContact CG2-CD1 4.37Å; V9-L126 HydrophobicContact CG2-CD1 4.03Å; V9-L248 HydrophobicContact CB-CD1 4.46Å; V9-L248 HydrophobicContact CG1-CD1 3.45Å; V9-L248 VanDerWaalsContact CG1-CD1 3.45Å |
| 10 | E | 97.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 65.5 Ų | 65.5 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.2 | 170.1 | 63.1 | 176 | 157.1 | 0 | 0 | 110.6 | L21 K22 T24 | E10-L21 WeakPolarHBondContact O-CA 3.47Å; E10-K22 HydrophobicContact CG-CD 4.27Å; E10-K22 VanDerWaalsContact CG-CE 3.47Å; E10-K22 HydrophobicContact CG-CG 3.71Å; E10-K22 PolarHBondContact N-O 2.92Å; E10-K22 PolarHBondContact O-N 3.2Å; E10-K22 WeakPolarHBondContact OE1-CE 3.42Å; E10-K22 IonicContact OE1-NZ 3.92Å; E10-K22 PolarHBondContact OE1-NZ 2.97Å; E10-T24 HydrophobicContact CB-CG2 3.89Å; E10-T24 HydrophobicContact CG-CG2 3.78Å |
| 11 | V | 98.3 | Very high | 92.1 | Very high | 57 Ų | 57 | 62.3 Ų | 62.3 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 136.1 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | R19 G20 L21 L126 L203 | V11-R19 HydrophobicContact CG1-CB 4.39Å; V11-R19 HydrophobicContact CG1-CG 4.35Å; V11-G20 WeakPolarHBondContact CA-O 3.23Å; V11-L21 HydrophobicContact CG2-CD2 3.91Å; V11-L126 HydrophobicContact CG2-CB 3.77Å; V11-L126 HydrophobicContact CG2-CD1 3.91Å; V11-L126 HydrophobicContact CG2-CG 4.28Å; V11-L203 HydrophobicContact CG2-CD1 3.95Å |
| 12 | F | 98.2 | Very high | 93.8 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 165.6 | 172.1 | 80 | -70.8 | 0 | 0 | 0 | 110.9 | A14 R19 G20 L21 K22 E247 | F12-A14 HydrophobicContact CE2-CB 3.72Å; F12-A14 HydrophobicContact CZ-CB 3.74Å; F12-R19 CarbonylContact O-C 3.35Å; F12-R19 WeakPolarHBondContact O-CA 3.28Å; F12-G20 VanDerWaalsContact CD1-C 3.5Å; F12-G20 VanDerWaalsContact CD1-O 3.3Å; F12-G20 WeakPolarHBondContact CD1-O 3.15Å; F12-G20 VanDerWaalsContact CE1-C 3.5Å; F12-G20 PolarHBondContact N-O 3.05Å; F12-G20 PolarHBondContact O-N 2.87Å; F12-L21 VanDerWaalsContact CE1-C 3.5Å; F12-K22 HydrophobicContact CB-CD 4.04Å; F12-K22 HydrophobicContact CB-CG 4.34Å; F12-K22 HydrophobicContact CD1-CB 3.79Å; F12-K22 HydrophobicContact CD1-CD 4.05Å; F12-K22 HydrophobicContact CD1-CG 3.73Å; F12-K22 HydrophobicContact CD2-CD 4.47Å; F12-K22 HydrophobicContact CE1-CB 3.86Å; F12-K22 HydrophobicContact CE1-CG 4.32Å; F12-K22 HydrophobicContact CG-CB 4.5Å; F12-K22 HydrophobicContact CG-CD 3.94Å; F12-K22 HydrophobicContact CG-CG 4.12Å; F12-E247 HydrophobicContact CE1-CB 4.28Å; F12-E247 HydrophobicContact CE1-CG 4Å; F12-E247 HydrophobicContact CZ-CB 3.86Å; F12-E247 HydrophobicContact CZ-CG 3.72Å |
| 13 | T | 98 | Very high | 94.8 | Very high | 121 Ų | 121 | 56.3 Ų | 56.3 | 74% | 0.742 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 111.9 | 171 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | G18 | T13-G18 CarbonylContact C-O 3.51Å; T13-G18 WeakPolarHBondContact CA-O 3.33Å |
| 14 | A | 95.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 5% | 0.05 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F12 G16 K17 G18 | F12-A14 HydrophobicContact CE2-CB 3.72Å; F12-A14 HydrophobicContact CZ-CB 3.74Å; A14-G16 PolarHBondContact O-N 3.05Å; A14-G16 VanDerWaalsContact O-N 3.16Å; A14-K17 HydrophobicContact CB-CB 3.88Å; A14-K17 HydrophobicContact CB-CD 4.4Å; A14-K17 PolarHBondContact O-N 3.21Å; A14-G18 PolarHBondContact N-O 3.47Å; A14-G18 PolarHBondContact O-N 3.29Å |
| 15 | E | 92.4 | Very high | 96.4 | Very high | 196 Ų | 196 | 60.8 Ų | 60.8 | 92% | 0.916 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 120.1 | -177.8 | -170.8 | 177 | -176.4 | 0 | 0 | 111 | K17 | E15-K17 PolarHBondContact O-N 3.16Å; E15-K17 VanDerWaalsContact O-N 3.14Å |
| 16 | G | 91.5 | Very high | 96.9 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 92% | 0.918 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 0.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | A14 | A14-G16 PolarHBondContact O-N 3.05Å; A14-G16 VanDerWaalsContact O-N 3.16Å |
| 17 | K | 96.1 | Very high | 97.1 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -5.3 | 179.5 | -53.9 | -179.8 | -169.1 | 173.1 | 0 | 113.8 | A14 E15 N205 E247 | A14-K17 HydrophobicContact CB-CB 3.88Å; A14-K17 HydrophobicContact CB-CD 4.4Å; A14-K17 PolarHBondContact O-N 3.21Å; E15-K17 PolarHBondContact O-N 3.16Å; E15-K17 VanDerWaalsContact O-N 3.14Å; K17-N205 HydrophobicContact CD-CB 4.38Å; K17-E247 IonicContact NZ-OE1 2.66Å; K17-E247 IonicContact NZ-OE2 3.14Å; K17-E247 PolarHBondContact NZ-OE2 3.02Å |
| 18 | G | 96.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.8 | -128 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T13 A14 | T13-G18 CarbonylContact C-O 3.51Å; T13-G18 WeakPolarHBondContact CA-O 3.33Å; A14-G18 PolarHBondContact N-O 3.47Å; A14-G18 PolarHBondContact O-N 3.29Å |
| 19 | R | 97.9 | Very high | 97.4 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 153.2 | 174.1 | -70.7 | 170.6 | -64.4 | -175.7 | 0.1 | 110.1 | V11 F12 V127 D131 L203 N205 | V11-R19 HydrophobicContact CG1-CB 4.39Å; V11-R19 HydrophobicContact CG1-CG 4.35Å; F12-R19 CarbonylContact O-C 3.35Å; F12-R19 WeakPolarHBondContact O-CA 3.28Å; R19-V127 VanDerWaalsContact NH1-CG2 3.28Å; R19-D131 VanDerWaalsContact CZ-O 3.23Å; R19-D131 PolarHBondContact NH1-O 3.31Å; R19-D131 PolarHBondContact NH2-O 3.39Å; R19-L203 HydrophobicContact CB-CD2 4.29Å; R19-N205 PolarHBondContact O-ND2 3.06Å; R19-N205 PolarHBondContact O-OD1 3.03Å |
| 20 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 170 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V11 F12 L203 | V11-G20 WeakPolarHBondContact CA-O 3.23Å; F12-G20 VanDerWaalsContact CD1-C 3.5Å; F12-G20 VanDerWaalsContact CD1-O 3.3Å; F12-G20 WeakPolarHBondContact CD1-O 3.15Å; F12-G20 VanDerWaalsContact CE1-C 3.5Å; F12-G20 PolarHBondContact N-O 3.05Å; F12-G20 PolarHBondContact O-N 2.87Å; G20-L203 CarbonylContact C-O 3.58Å; G20-L203 VanDerWaalsContact CA-O 3.31Å; G20-L203 WeakPolarHBondContact CA-O 3.38Å |
| 21 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138 | 165.1 | -66.4 | -171.5 | 0 | 0 | 0 | 110.1 | V9 E10 V11 F12 F34 L126 L203 V204 L248 | V9-L21 HydrophobicContact CB-CD1 4.43Å; V9-L21 HydrophobicContact CG2-CD1 4.24Å; E10-L21 WeakPolarHBondContact O-CA 3.47Å; V11-L21 HydrophobicContact CG2-CD2 3.91Å; F12-L21 VanDerWaalsContact CE1-C 3.5Å; L21-F34 HydrophobicContact CD1-CE1 3.9Å; L21-F34 HydrophobicContact CD1-CZ 4.42Å; L21-L126 HydrophobicContact CD2-CD1 3.74Å; L21-L203 HydrophobicContact CD1-CB 4.29Å; L21-L203 HydrophobicContact CD2-CB 3.94Å; L21-L203 HydrophobicContact CD2-CD1 4.04Å; L21-L203 HydrophobicContact CG-CB 3.78Å; L21-L203 PolarHBondContact N-O 2.93Å; L21-V204 HydrophobicContact CD1-CG2 3.76Å; L21-V204 HydrophobicContact CG-CG2 4.31Å; L21-L248 HydrophobicContact CB-CB 4.45Å; L21-L248 HydrophobicContact CB-CD1 4.34Å; L21-L248 PolarHBondContact O-N 2.95Å |
| 22 | K | 98.5 | Very high | 97.4 | Very high | 51 Ų | 51 | 60 Ų | 60 | 22% | 0.222 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 155.2 | 169.3 | 61.4 | 177.5 | 178.6 | 140.7 | 0 | 110.9 | V9 E10 F12 E246 | V9-K22 WeakPolarHBondContact CA-O 3.4Å; E10-K22 HydrophobicContact CG-CD 4.27Å; E10-K22 VanDerWaalsContact CG-CE 3.47Å; E10-K22 HydrophobicContact CG-CG 3.71Å; E10-K22 PolarHBondContact N-O 2.92Å; E10-K22 PolarHBondContact O-N 3.2Å; E10-K22 WeakPolarHBondContact OE1-CE 3.42Å; E10-K22 IonicContact OE1-NZ 3.92Å; E10-K22 PolarHBondContact OE1-NZ 2.97Å; F12-K22 HydrophobicContact CB-CD 4.04Å; F12-K22 HydrophobicContact CB-CG 4.34Å; F12-K22 HydrophobicContact CD1-CB 3.79Å; F12-K22 HydrophobicContact CD1-CD 4.05Å; F12-K22 HydrophobicContact CD1-CG 3.73Å; F12-K22 HydrophobicContact CD2-CD 4.47Å; F12-K22 HydrophobicContact CE1-CB 3.86Å; F12-K22 HydrophobicContact CE1-CG 4.32Å; F12-K22 HydrophobicContact CG-CB 4.5Å; F12-K22 HydrophobicContact CG-CD 3.94Å; F12-K22 HydrophobicContact CG-CG 4.12Å; K22-E246 CarbonylContact C-O 3.53Å; K22-E246 WeakPolarHBondContact CA-O 3.34Å; K22-E246 WeakPolarHBondContact CB-O 3.37Å |
| 23 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | K25 F27 I242 G245 E246 L248 | A23-K25 WeakPolarHBondContact CB-O 3.48Å; A23-F27 HydrophobicContact CB-CD2 4.09Å; A23-F27 HydrophobicContact CB-CE2 3.94Å; A23-I242 HydrophobicContact CB-CG2 4.11Å; A23-G245 WeakPolarHBondContact O-CA 3.31Å; A23-G245 PolarHBondContact O-N 3.39Å; A23-E246 PolarHBondContact N-O 3.22Å; A23-L248 HydrophobicContact CB-CD2 4.2Å |
| 24 | T | 98.3 | Very high | 97.3 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -94.2 | 2.9 | 172.9 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | E7 N8 E10 | E7-T24 PolarHBondContact O-OG1 3.31Å; N8-T24 WeakPolarHBondContact CA-OG1 3.27Å; N8-T24 PolarHBondContact O-N 2.89Å; N8-T24 PolarHBondContact O-OG1 3.33Å; E10-T24 HydrophobicContact CB-CG2 3.89Å; E10-T24 HydrophobicContact CG-CG2 3.78Å |
| 25 | K | 97.9 | Very high | 97.4 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -160 | 172.2 | 175.7 | 68.3 | -177.6 | -165.1 | -168.9 | 0 | 110.4 | N8 A23 F27 | N8-K25 WeakPolarHBondContact OD1-CE 3.37Å; N8-K25 PolarHBondContact OD1-NZ 2.97Å; A23-K25 WeakPolarHBondContact CB-O 3.48Å; K25-F27 HydrophobicContact CG-CE2 4.31Å; K25-F27 HydrophobicContact CG-CZ 4.29Å |
| 26 | E | 98.5 | Very high | 97.5 | Very high | 90 Ų | 90 | 42.6 Ų | 42.6 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | trans | -72.1 | 145.3 | 173.9 | -165.1 | 176 | -138 | 0 | 0 | 112.1 | K241 I242 | E26-K241 WeakPolarHBondContact OE1-CE 3.47Å; E26-K241 IonicContact OE1-NZ 3.89Å; E26-K241 PolarHBondContact OE1-NZ 3Å; E26-I242 WeakPolarHBondContact CA-O 3.48Å | ||
| 27 | F | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -131.3 | 156.7 | 173.7 | -66.9 | -79.7 | 0 | 0 | 0 | 112.3 | N8 A23 K25 D31 I33 A238 K241 I242 | N8-F27 HydrophobicContact CB-CE1 4.21Å; N8-F27 HydrophobicContact CB-CE2 4.31Å; N8-F27 HydrophobicContact CB-CZ 3.44Å; N8-F27 VanDerWaalsContact CB-CZ 3.44Å; A23-F27 HydrophobicContact CB-CD2 4.09Å; A23-F27 HydrophobicContact CB-CE2 3.94Å; K25-F27 HydrophobicContact CG-CE2 4.31Å; K25-F27 HydrophobicContact CG-CZ 4.29Å; F27-D31 HydrophobicContact CB-CB 4.4Å; F27-D31 HydrophobicContact CD1-CB 3.81Å; F27-I33 HydrophobicContact CD1-CG1 4.25Å; F27-I33 HydrophobicContact CD2-CG1 4.34Å; F27-I33 HydrophobicContact CE1-CB 4.29Å; F27-I33 HydrophobicContact CE1-CG1 4.03Å; F27-I33 HydrophobicContact CE1-CG2 4.45Å; F27-I33 HydrophobicContact CE2-CG1 4.14Å; F27-I33 HydrophobicContact CE2-CG2 3.99Å; F27-I33 HydrophobicContact CG-CG1 4.35Å; F27-I33 HydrophobicContact CZ-CB 3.99Å; F27-I33 HydrophobicContact CZ-CG1 3.91Å; F27-I33 HydrophobicContact CZ-CG2 3.67Å; F27-A238 HydrophobicContact CB-CB 4.15Å; F27-K241 WeakPolarHBondContact O-CA 3.28Å; F27-I242 HydrophobicContact CB-CB 4.22Å; F27-I242 PolarHBondContact N-O 3.28Å; F27-I242 PolarHBondContact O-N 3.21Å |
| 28 | W | 98.6 | Very high | 97.7 | Very high | 145 Ų | 145 | 41.3 Ų | 41.3 | 55% | 0.549 | 21% | 0.21 | S | C | . | . | trans | -119.5 | 163.6 | 173.8 | -64.7 | 90.6 | 0 | 0 | 0 | 111.7 | A30 D31 A238 G240 K241 | W28-A30 PolarHBondContact O-N 3.1Å; W28-D31 PolarHBondContact N-OD2 3.31Å; W28-D31 VanDerWaalsContact O-CB 3.27Å; W28-D31 WeakPolarHBondContact O-CB 3.42Å; W28-D31 PolarHBondContact O-N 3.41Å; W28-A238 WeakPolarHBondContact O-CB 3.35Å; W28-G240 CarbonylContact C-O 3.58Å; W28-K241 HydrophobicContact CE3-CB 4.33Å; W28-K241 HydrophobicContact CE3-CG 4.44Å; W28-K241 HydrophobicContact CH2-CD 3.96Å; W28-K241 HydrophobicContact CH2-CG 4.44Å; W28-K241 HydrophobicContact CZ2-CD 4.47Å; W28-K241 HydrophobicContact CZ3-CB 4.3Å; W28-K241 HydrophobicContact CZ3-CD 4.1Å; W28-K241 HydrophobicContact CZ3-CG 4.27Å | ||
| 29 | A | 98.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 34% | 0.339 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 136.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D31 G240 V425 | A29-D31 VanDerWaalsContact C-N 3.29Å; A29-D31 PolarHBondContact O-N 3.18Å; A29-G240 PolarHBondContact N-O 2.9Å; A29-V425 HydrophobicContact CB-CG1 4.35Å |
| 30 | A | 97.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 35.9 Ų | 35.9 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | W28 V32 R237 A238 V425 | W28-A30 PolarHBondContact O-N 3.1Å; A30-V32 PolarHBondContact O-N 2.57Å; A30-R237 PolarHBondContact O-NH1 2.83Å; A30-A238 PolarHBondContact N-O 3.4Å; A30-V425 HydrophobicContact CB-CB 4.35Å; A30-V425 HydrophobicContact CB-CG1 4.5Å; A30-V425 HydrophobicContact CB-CG2 4.25Å |
| 31 | D | 98.1 | Very high | 97.7 | Very high | 65 Ų | 65 | 36.4 Ų | 36.4 | 35% | 0.348 | 18% | 0.182 | S | C | . | . | trans | -61.1 | 136.2 | 172.9 | -77.2 | -24.4 | 0 | 0 | 0 | 110.5 | F27 W28 A29 R237 A238 | F27-D31 HydrophobicContact CB-CB 4.4Å; F27-D31 HydrophobicContact CD1-CB 3.81Å; W28-D31 PolarHBondContact N-OD2 3.31Å; W28-D31 VanDerWaalsContact O-CB 3.27Å; W28-D31 WeakPolarHBondContact O-CB 3.42Å; W28-D31 PolarHBondContact O-N 3.41Å; A29-D31 VanDerWaalsContact C-N 3.29Å; A29-D31 PolarHBondContact O-N 3.18Å; D31-R237 VanDerWaalsContact O-CA 3.29Å; D31-R237 WeakPolarHBondContact O-CA 3.4Å; D31-A238 PolarHBondContact O-N 3.06Å | ||
| 32 | V | 97.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 36.4 Ų | 36.4 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 117.3 | 168.2 | -176.7 | 0 | 0 | 0 | 0 | 106.9 | M1 A30 E235 R237 | M1-V32 HydrophobicContact CE-CB 4.47Å; M1-V32 HydrophobicContact CE-CG1 4.47Å; M1-V32 WeakPolarHBondContact CE-O 3.29Å; M1-V32 HydrophobicContact SD-CB 4.06Å; M1-V32 HydrophobicContact SD-CG1 3.59Å; M1-V32 VanDerWaalsContact SD-CG1 3.59Å; A30-V32 PolarHBondContact O-N 2.57Å; V32-E235 HydrophobicContact CG1-CB 4.29Å; V32-E235 HydrophobicContact CG1-CG 4.46Å; V32-R237 HydrophobicContact CG2-CG 4.32Å; V32-R237 VanDerWaalsContact CG2-NH2 3.34Å |
| 33 | I | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -52.3 | 178.3 | -60.3 | -179.8 | 0 | 0 | 0 | 109.1 | M1 N8 V9 F27 C212 L236 A238 I242 L248 | M1-I33 WeakPolarHBondContact CE-O 3.23Å; N8-I33 PolarHBondContact ND2-O 2.88Å; V9-I33 HydrophobicContact CG1-CG2 3.44Å; V9-I33 VanDerWaalsContact CG1-CG2 3.44Å; F27-I33 HydrophobicContact CD1-CG1 4.25Å; F27-I33 HydrophobicContact CD2-CG1 4.34Å; F27-I33 HydrophobicContact CE1-CB 4.29Å; F27-I33 HydrophobicContact CE1-CG1 4.03Å; F27-I33 HydrophobicContact CE1-CG2 4.45Å; F27-I33 HydrophobicContact CE2-CG1 4.14Å; F27-I33 HydrophobicContact CE2-CG2 3.99Å; F27-I33 HydrophobicContact CG-CG1 4.35Å; F27-I33 HydrophobicContact CZ-CB 3.99Å; F27-I33 HydrophobicContact CZ-CG1 3.91Å; F27-I33 HydrophobicContact CZ-CG2 3.67Å; I33-C212 WeakPolarHBondContact CD1-SG 3.48Å; I33-L236 HydrophobicContact CB-CB 4.47Å; I33-L236 HydrophobicContact CB-CD2 4.29Å; I33-L236 HydrophobicContact CB-CG 4.46Å; I33-L236 HydrophobicContact CD1-CD2 4.11Å; I33-L236 HydrophobicContact CD1-CG 4.26Å; I33-L236 HydrophobicContact CG2-CD2 4.25Å; I33-L236 PolarHBondContact N-O 3.28Å; I33-A238 HydrophobicContact CD1-CB 4.36Å; I33-A238 HydrophobicContact CG1-CB 4.48Å; I33-I242 HydrophobicContact CD1-CD1 4.07Å; I33-L248 HydrophobicContact CD1-CD1 4.15Å; I33-L248 HydrophobicContact CD1-CD2 3.89Å; I33-L248 HydrophobicContact CG2-CD1 3.77Å |
| 34 | F | 97.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 166.4 | 168.5 | 66.5 | -100.3 | 0 | 0 | 0 | 110.8 | M6 V9 L21 E36 N200 V204 I234 L236 | M6-F34 HydrophobicContact CE-CB 4.32Å; M6-F34 HydrophobicContact CE-CD2 3.7Å; M6-F34 HydrophobicContact CE-CE2 4.22Å; M6-F34 HydrophobicContact CE-CG 4.1Å; M6-F34 HydrophobicContact SD-CB 3.73Å; M6-F34 HydrophobicContact SD-CD1 4.06Å; M6-F34 HydrophobicContact SD-CD2 3.86Å; M6-F34 HydrophobicContact SD-CE2 4.47Å; M6-F34 HydrophobicContact SD-CG 3.63Å; V9-F34 HydrophobicContact CG1-CD1 4.16Å; V9-F34 HydrophobicContact CG2-CD1 4.37Å; L21-F34 HydrophobicContact CD1-CE1 3.9Å; L21-F34 HydrophobicContact CD1-CZ 4.42Å; F34-E36 HydrophobicContact CD2-CB 4.37Å; F34-E36 HydrophobicContact CE2-CB 4.33Å; F34-N200 HydrophobicContact CE2-CB 4.24Å; F34-N200 HydrophobicContact CZ-CB 4.39Å; F34-V204 HydrophobicContact CZ-CG2 4.43Å; F34-I234 HydrophobicContact CE2-CD1 4.04Å; F34-L236 HydrophobicContact CD1-CB 4.16Å; F34-L236 HydrophobicContact CD1-CD2 3.97Å; F34-L236 HydrophobicContact CE1-CB 3.89Å; F34-L236 HydrophobicContact CE1-CD2 3.33Å; F34-L236 HydrophobicContact CE1-CG 4.23Å; F34-L236 HydrophobicContact CE2-CB 4.25Å; F34-L236 HydrophobicContact CG-CB 4.46Å; F34-L236 HydrophobicContact CZ-CB 3.93Å; F34-L236 HydrophobicContact CZ-CD2 3.91Å; F34-L236 HydrophobicContact CZ-CG 4.49Å; F34-L236 PolarHBondContact O-N 3.33Å |
| 35 | A | 96.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I3 G4 F228 I234 E235 | I3-A35 HydrophobicContact CG1-CB 4.42Å; G4-A35 PolarHBondContact N-O 2.79Å; A35-F228 HydrophobicContact CB-CE2 3.97Å; A35-F228 HydrophobicContact CB-CZ 3.68Å; A35-I234 VanDerWaalsContact CA-O 3.27Å; A35-I234 WeakPolarHBondContact CA-O 3.39Å; A35-E235 HydrophobicContact CB-CG 4.07Å |
| 36 | E | 95.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.1 | -170.8 | -178.4 | 174.1 | -151 | 0 | 0 | 111.3 | F34 F198 P199 N200 L201 R233 I234 | F34-E36 HydrophobicContact CD2-CB 4.37Å; F34-E36 HydrophobicContact CE2-CB 4.33Å; E36-F198 HydrophobicContact CG-CD1 4.2Å; E36-F198 WeakPolarHBondContact OE2-CB 3.44Å; E36-P199 VanDerWaalsContact OE1-CD 3.3Å; E36-P199 WeakPolarHBondContact OE1-CD 3.2Å; E36-N200 WeakPolarHBondContact OE1-CB 3.46Å; E36-N200 PolarHBondContact OE1-N 2.69Å; E36-N200 PolarHBondContact OE1-ND2 3.47Å; E36-N200 WeakPolarHBondContact OE2-CB 3.25Å; E36-N200 PolarHBondContact OE2-N 3.21Å; E36-L201 PolarHBondContact OE2-N 3.24Å; E36-L201 VanDerWaalsContact OE2-N 3.11Å; E36-R233 CarbonylContact O-C 3.6Å; E36-R233 VanDerWaalsContact O-CA 3.26Å; E36-R233 WeakPolarHBondContact O-CA 3.3Å; E36-R233 WeakPolarHBondContact O-CB 3.49Å; E36-I234 HydrophobicContact CB-CD1 3.76Å; E36-I234 HydrophobicContact CB-CG1 4.05Å; E36-I234 PolarHBondContact N-O 2.72Å; E36-I234 PolarHBondContact O-N 3.06Å |
| 37 | R | 94.8 | Very high | 97.3 | Very high | 122 Ų | 122 | 33.2 Ų | 33.2 | 46% | 0.46 | 18% | 0.179 | S | C | . | . | trans | -82.9 | 148 | 168.3 | -74.6 | -178.4 | -173.9 | 93.3 | -2.5 | 109.3 | I3 Y39 | I3-R37 HydrophobicContact CG2-CG 4.03Å; R37-Y39 PolarHBondContact O-N 3.03Å | ||
| 38 | A | 96 | Very high | 97.1 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | trans | -55.2 | 129.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S40 A41 I197 F198 | A38-S40 VanDerWaalsContact C-N 3.29Å; A38-A41 HydrophobicContact CB-CB 3.98Å; A38-I197 CarbonylContact C-O 3.58Å; A38-F198 HydrophobicContact CB-CD1 4.36Å; A38-F198 HydrophobicContact CB-CE1 3.67Å; A38-F198 HydrophobicContact CB-CE2 4.35Å; A38-F198 HydrophobicContact CB-CZ 3.66Å; A38-F198 VanDerWaalsContact N-CE1 3.25Å | ||
| 39 | Y | 97 | Very high | 97 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -62.5 | -44.2 | 168.1 | -177.3 | -86.1 | 0 | 0 | 0 | 109.9 | R37 I110 R113 V114 T122 V129 I197 P199 | R37-Y39 PolarHBondContact O-N 3.03Å; Y39-I110 HydrophobicContact CD1-CG1 4.33Å; Y39-I110 HydrophobicContact CE1-CB 4.4Å; Y39-I110 HydrophobicContact CE1-CG1 4.41Å; Y39-I110 HydrophobicContact CE1-CG2 4.03Å; Y39-R113 VanDerWaalsContact CA-NH1 3.3Å; Y39-R113 HydrophobicContact CE1-CB 4.09Å; Y39-R113 HydrophobicContact CE1-CG 3.91Å; Y39-R113 HydrophobicContact CE2-CG 4.21Å; Y39-R113 VanDerWaalsContact O-CD 3.32Å; Y39-R113 WeakPolarHBondContact O-CD 3.33Å; Y39-R113 PolarHBondContact O-NH1 3.46Å; Y39-V114 WeakPolarHBondContact OH-CG2 3.38Å; Y39-T122 WeakPolarHBondContact CE2-OG1 3.41Å; Y39-V129 HydrophobicContact CD1-CB 4.36Å; Y39-V129 HydrophobicContact CD1-CG2 4.13Å; Y39-V129 HydrophobicContact CE1-CB 4.08Å; Y39-V129 HydrophobicContact CE1-CG1 3.9Å; Y39-V129 HydrophobicContact CE1-CG2 4.15Å; Y39-V129 HydrophobicContact CE2-CB 4.36Å; Y39-V129 HydrophobicContact CE2-CG1 4.44Å; Y39-I197 WeakPolarHBondContact CB-O 3.48Å; Y39-I197 PolarHBondContact N-O 3.42Å; Y39-P199 HydrophobicContact CD2-CG 4.09Å; Y39-P199 HydrophobicContact CG-CG 4.18Å |
| 40 | S | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 151 | 169 | -77.5 | 0 | 0 | 0 | 0 | 109 | A38 G196 I197 | A38-S40 VanDerWaalsContact C-N 3.29Å; S40-G196 CarbonylContact O-C 3.58Å; S40-G196 WeakPolarHBondContact O-CA 3.3Å; S40-I197 PolarHBondContact O-N 2.99Å |
| 41 | A | 98.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 152.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A38 F56 R109 L184 V195 | A38-A41 HydrophobicContact CB-CB 3.98Å; A41-F56 HydrophobicContact CB-CE1 4.49Å; A41-F56 HydrophobicContact CB-CE2 3.98Å; A41-F56 HydrophobicContact CB-CZ 3.52Å; A41-R109 PolarHBondContact O-NH1 3.04Å; A41-L184 HydrophobicContact CB-CD1 3.75Å; A41-V195 CarbonylContact C-O 3.56Å; A41-V195 VanDerWaalsContact CA-O 3.27Å; A41-V195 WeakPolarHBondContact CA-O 3.38Å |
| 42 | V | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.3 | -179.9 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | E102 R105 L106 G194 V195 | V42-E102 HydrophobicContact CG2-CB 4.09Å; V42-R105 HydrophobicContact CG1-CB 4.08Å; V42-L106 HydrophobicContact CG1-CB 4.16Å; V42-L106 HydrophobicContact CG1-CD1 4.41Å; V42-L106 HydrophobicContact CG2-CB 3.85Å; V42-G194 CarbonylContact O-C 3.55Å; V42-G194 WeakPolarHBondContact O-CA 3.24Å; V42-V195 HydrophobicContact CG2-CG1 3.73Å; V42-V195 PolarHBondContact N-O 2.96Å; V42-V195 PolarHBondContact O-N 3.32Å |
| 43 | V | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 145.3 | 171.8 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | L47 V51 H53 F56 R105 V193 | V43-L47 HydrophobicContact CG1-CB 4.19Å; V43-V51 HydrophobicContact CG1-CB 3.84Å; V43-V51 HydrophobicContact CG1-CG1 4.05Å; V43-V51 HydrophobicContact CG1-CG2 4.48Å; V43-V51 HydrophobicContact CG2-CB 4.33Å; V43-V51 HydrophobicContact CG2-CG1 3.78Å; V43-H53 HydrophobicContact CG2-CB 4.49Å; V43-F56 HydrophobicContact CG2-CD1 3.96Å; V43-F56 HydrophobicContact CG2-CE1 3.79Å; V43-R105 PolarHBondContact O-NH1 3.28Å; V43-R105 VanDerWaalsContact O-NH1 3.09Å; V43-R105 PolarHBondContact O-NH2 3.09Å; V43-V193 WeakPolarHBondContact CA-O 3.39Å; V43-V193 WeakPolarHBondContact CG1-O 3.47Å |
| 44 | F | 98.3 | Very high | 96.7 | Very high | 41 Ų | 41 | 29.8 Ų | 29.8 | 18% | 0.18 | 16% | 0.156 | C | C | . | . | trans | -64.9 | 145.7 | 173.2 | -67.7 | -46 | 0 | 0 | 0 | 112.2 | S46 L47 V48 E102 T183 A192 V193 G194 V195 | F44-S46 PolarHBondContact O-N 2.78Å; F44-L47 PolarHBondContact O-N 3.06Å; F44-V48 WeakPolarHBondContact O-CG1 3.34Å; F44-V48 PolarHBondContact O-N 2.92Å; F44-E102 HydrophobicContact CD1-CG 4.24Å; F44-T183 HydrophobicContact CE2-CG2 4.45Å; F44-T183 HydrophobicContact CZ-CG2 4.44Å; F44-A192 HydrophobicContact CE2-CB 3.96Å; F44-V193 PolarHBondContact N-O 3.4Å; F44-G194 VanDerWaalsContact CD2-N 3.33Å; F44-G194 VanDerWaalsContact CZ-C 3.49Å; F44-G194 VanDerWaalsContact CZ-O 3.24Å; F44-G194 WeakPolarHBondContact CZ-O 3.24Å; F44-V195 HydrophobicContact CE1-CB 3.99Å; F44-V195 HydrophobicContact CE1-CG1 4.01Å; F44-V195 HydrophobicContact CZ-CB 4.36Å | ||
| 45 | D | 96.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 30 Ų | 30 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -53.6 | -38.7 | -177.8 | -73.1 | -21.6 | 0 | 0 | 0 | 112.6 | L47 V48 N101 E102 R105 | D45-L47 PolarHBondContact O-N 3.09Å; D45-V48 WeakPolarHBondContact O-CG1 3.29Å; D45-N101 VanDerWaalsContact OD2-CA 3.25Å; D45-N101 WeakPolarHBondContact OD2-CA 3.48Å; D45-E102 WeakPolarHBondContact CB-OE2 3.48Å; D45-E102 PolarHBondContact N-OE2 3.16Å; D45-E102 PolarHBondContact OD1-N 3.04Å; D45-E102 VanDerWaalsContact OD2-OE2 3.05Å; D45-R105 IonicContact OD1-CZ 2.75Å; D45-R105 IonicContact OD1-NE 2.78Å; D45-R105 IonicContact OD1-NH2 2.64Å; D45-R105 PolarHBondContact OD1-NH2 3.44Å |
| 46 | S | 95 | Very high | 96.6 | Very high | 91 Ų | 91 | 30.1 Ų | 30.1 | 64% | 0.636 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | -66.2 | -15.7 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | F44 | F44-S46 PolarHBondContact O-N 2.78Š|
| 47 | L | 95.9 | Very high | 96.5 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -124.7 | 8.2 | -169.5 | -66.4 | 170.6 | 0 | 0 | 0 | 114.4 | V43 F44 D45 N49 F50 V51 A192 V193 | V43-L47 HydrophobicContact CG1-CB 4.19Å; F44-L47 PolarHBondContact O-N 3.06Å; D45-L47 PolarHBondContact O-N 3.09Å; L47-N49 PolarHBondContact O-N 2.98Å; L47-F50 HydrophobicContact CD2-CD2 4.48Å; L47-F50 PolarHBondContact O-N 2.93Å; L47-V51 HydrophobicContact CB-CG2 3.83Å; L47-V51 HydrophobicContact CD1-CG2 4.46Å; L47-V51 PolarHBondContact O-N 3.33Å; L47-V51 VanDerWaalsContact O-N 3.13Å; L47-A192 WeakPolarHBondContact CD1-O 3.35Å; L47-V193 HydrophobicContact CD1-CB 4.14Å; L47-V193 HydrophobicContact CD1-CG1 4Å |
| 48 | V | 94.9 | Very high | 96.5 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 13% | 0.133 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.4 | -174 | -63.9 | 0 | 0 | 0 | 0 | 114.2 | F44 D45 H53 F70 H72 | F44-V48 WeakPolarHBondContact O-CG1 3.34Å; F44-V48 PolarHBondContact O-N 2.92Å; D45-V48 WeakPolarHBondContact O-CG1 3.29Å; V48-H53 PolarHBondContact O-CE1 2.88Å; V48-F70 HydrophobicContact CB-CE2 4.09Å; V48-F70 HydrophobicContact CG1-CE2 3.71Å; V48-F70 HydrophobicContact CG1-CZ 4.3Å; V48-H72 PolarHBondContact O-ND1 2.83Å |
| 49 | N | 95.4 | Very high | 96.2 | Very high | 94 Ų | 94 | 32.7 Ų | 32.7 | 50% | 0.503 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -6.7 | -179.2 | -60 | -37.7 | 0 | 0 | 0 | 113.5 | L47 H72 | L47-N49 PolarHBondContact O-N 2.98Å; N49-H72 PolarHBondContact OD1-CE1 3.35Å |
| 50 | F | 95.8 | Very high | 95.8 | Very high | 106 Ų | 106 | 41.5 Ų | 41.5 | 47% | 0.465 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -6.5 | -170.9 | -54.9 | -69.4 | 0 | 0 | 0 | 113.5 | L47 R58 L62 | L47-F50 HydrophobicContact CD2-CD2 4.48Å; L47-F50 PolarHBondContact O-N 2.93Å; F50-R58 WeakPolarHBondContact O-CA 3.49Å; F50-L62 VanDerWaalsContact C-CD1 3.46Å |
| 51 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -129.2 | 135.3 | -175.2 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | V43 L47 H53 F56 R58 V193 | V43-V51 HydrophobicContact CG1-CB 3.84Å; V43-V51 HydrophobicContact CG1-CG1 4.05Å; V43-V51 HydrophobicContact CG1-CG2 4.48Å; V43-V51 HydrophobicContact CG2-CB 4.33Å; V43-V51 HydrophobicContact CG2-CG1 3.78Å; L47-V51 HydrophobicContact CB-CG2 3.83Å; L47-V51 HydrophobicContact CD1-CG2 4.46Å; L47-V51 PolarHBondContact O-N 3.33Å; L47-V51 VanDerWaalsContact O-N 3.13Å; V51-H53 PolarHBondContact O-N 2.9Å; V51-H53 PolarHBondContact O-ND1 3.27Å; V51-F56 HydrophobicContact CG1-CB 4.42Å; V51-F56 HydrophobicContact CG1-CD1 4.47Å; V51-R58 HydrophobicContact CG2-CG 3.7Å; V51-V193 HydrophobicContact CG1-CB 4.1Å; V51-V193 HydrophobicContact CG1-CG2 4.26Å; V51-V193 HydrophobicContact CG2-CB 3.82Å; V51-V193 HydrophobicContact CG2-CG1 3.81Å |
| 52 | C | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -66.4 | 126.5 | 171.9 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | T54 F56 K57 L62 H72 C74 | C52-T54 PolarHBondContact O-N 3.31Å; C52-T54 VanDerWaalsContact O-N 3.12Å; C52-T54 PolarHBondContact SG-N 2.98Å; C52-T54 VanDerWaalsContact SG-N 3.39Å; C52-F56 VanDerWaalsContact O-CA 3.28Å; C52-F56 WeakPolarHBondContact O-CA 3.42Å; C52-F56 PolarHBondContact O-N 2.83Å; C52-K57 PolarHBondContact N-O 3.39Å; C52-L62 HydrophobicContact CB-CD2 4.26Å; C52-H72 CarbonylContact C-O 3.59Å; C52-H72 WeakPolarHBondContact CA-O 3.33Å; C52-C74 WeakPolarHBondContact CB-SG 3.27Å | ||
| 53 | H | 97.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -2 | -179.9 | -74.3 | 44.8 | 0 | 0 | 0 | 114.7 | V43 V48 V51 F70 A71 H72 Y73 | V43-H53 HydrophobicContact CG2-CB 4.49Å; V48-H53 PolarHBondContact O-CE1 2.88Å; V51-H53 PolarHBondContact O-N 2.9Å; V51-H53 PolarHBondContact O-ND1 3.27Å; H53-F70 AromaticContact CD2-CE1 3.88Å; H53-F70 AromaticContact NE2-CE1 3.67Å; H53-F70 AromaticContact NE2-CE2 3.91Å; H53-F70 AromaticContact NE2-CZ 3.46Å; H53-F70 WeakPolarHBondContact NE2-CZ 2.74Å; H53-A71 HydrophobicContact CB-CB 4.38Å; H53-H72 PolarHBondContact N-O 2.89Å; H53-H72 PolarHBondContact ND1-N 3.45Å; H53-Y73 HydrophobicContact CB-CE1 4.18Å |
| 54 | T | 96.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 12% | 0.117 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -55.3 | 179 | -45.6 | 0 | 0 | 0 | 0 | 111.3 | C52 Y73 C78 D81 A82 M232 | C52-T54 PolarHBondContact O-N 3.31Å; C52-T54 VanDerWaalsContact O-N 3.12Å; C52-T54 PolarHBondContact SG-N 2.98Å; C52-T54 VanDerWaalsContact SG-N 3.39Å; T54-Y73 VanDerWaalsContact OG1-CD1 3.3Å; T54-Y73 WeakPolarHBondContact OG1-CD1 3.45Å; T54-C78 HydrophobicContact CG2-CB 4.3Å; T54-C78 WeakPolarHBondContact CG2-O 3.19Å; T54-C78 PolarHBondContact OG1-O 2.7Å; T54-D81 HydrophobicContact CG2-CB 4.06Å; T54-A82 HydrophobicContact CG2-CB 4.28Å; T54-A82 WeakPolarHBondContact OG1-CB 3.21Å; T54-M232 WeakPolarHBondContact O-CE 3.4Å |
| 55 | C | 95.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 0 | -171.1 | 67.3 | 0 | 0 | 0 | 0 | 113.8 | K57 N218 | C55-K57 HydrophobicContact CB-CG 4.4Å; C55-K57 PolarHBondContact O-N 3.14Å; C55-N218 WeakPolarHBondContact O-CB 3.33Å; C55-N218 PolarHBondContact O-ND2 3.47Å |
| 56 | F | 96.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | trans | 61 | 15.5 | 178.1 | -58.9 | -88.6 | 0 | 0 | 0 | 114.5 | A41 V43 V51 C52 L184 V193 F216 M232 | A41-F56 HydrophobicContact CB-CE1 4.49Å; A41-F56 HydrophobicContact CB-CE2 3.98Å; A41-F56 HydrophobicContact CB-CZ 3.52Å; V43-F56 HydrophobicContact CG2-CD1 3.96Å; V43-F56 HydrophobicContact CG2-CE1 3.79Å; V51-F56 HydrophobicContact CG1-CB 4.42Å; V51-F56 HydrophobicContact CG1-CD1 4.47Å; C52-F56 VanDerWaalsContact O-CA 3.28Å; C52-F56 WeakPolarHBondContact O-CA 3.42Å; C52-F56 PolarHBondContact O-N 2.83Å; F56-L184 HydrophobicContact CD1-CB 4.38Å; F56-L184 HydrophobicContact CD1-CD1 3.82Å; F56-L184 HydrophobicContact CD2-CD1 3.92Å; F56-L184 HydrophobicContact CE1-CD1 3.57Å; F56-L184 HydrophobicContact CE2-CD1 3.69Å; F56-L184 HydrophobicContact CG-CD1 3.99Å; F56-L184 HydrophobicContact CZ-CD1 3.52Å; F56-V193 HydrophobicContact CB-CG2 3.89Å; F56-V193 HydrophobicContact CD1-CG2 4.28Å; F56-F216 HydrophobicContact CB-CE1 4.03Å; F56-F216 HydrophobicContact CB-CZ 4.35Å; F56-F216 HydrophobicContact CD2-CE1 4.41Å; F56-F216 AromaticContact CD2-CZ 3.91Å; F56-F216 HydrophobicContact CD2-CZ 3.91Å; F56-F216 HydrophobicContact CG-CE1 4.43Å; F56-F216 HydrophobicContact CG-CZ 4.38Å; F56-M232 HydrophobicContact CD2-SD 3.73Å; F56-M232 HydrophobicContact CE2-CE 4.4Å; F56-M232 HydrophobicContact CE2-SD 3.98Å | ||
| 57 | K | 94.8 | Very high | 95.6 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | trans | -76.1 | 138 | 173.7 | -62.4 | -171.3 | 179.6 | 179.2 | 0 | 110.7 | C52 C55 Q187 N218 G219 | C52-K57 PolarHBondContact N-O 3.39Å; C55-K57 HydrophobicContact CB-CG 4.4Å; C55-K57 PolarHBondContact O-N 3.14Å; K57-Q187 HydrophobicContact CD-CB 4.43Å; K57-Q187 HydrophobicContact CG-CB 4.14Å; K57-N218 HydrophobicContact CG-CB 3.99Å; K57-G219 WeakPolarHBondContact CE-O 3.39Å; K57-G219 PolarHBondContact NZ-O 2.86Å | ||
| 58 | R | 93.6 | Very high | 95.7 | Very high | 89 Ų | 89 | 62.2 Ų | 62.2 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -82.6 | 133.8 | 167.2 | -73.1 | -164.2 | 70.4 | 174.6 | -2 | 110.2 | F50 V51 D186 Q187 V193 | F50-R58 WeakPolarHBondContact O-CA 3.49Å; V51-R58 HydrophobicContact CG2-CG 3.7Å; R58-D186 HydrophobicContact CB-CB 4.4Å; R58-D186 HydrophobicContact CG-CB 3.9Å; R58-Q187 PolarHBondContact O-NE2 3.26Å; R58-V193 HydrophobicContact CG-CG1 4.25Å |
| 59 | Q | 89.6 | Confident | 95.7 | Very high | 81 Ų | 81 | 67.9 Ų | 67.9 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | trans | -145.4 | 150.4 | 175.9 | -66.6 | -178.5 | -15 | 0 | 0 | 109.8 | K61 L62 C74 | Q59-K61 VanDerWaalsContact C-N 3.34Å; Q59-L62 HydrophobicContact CB-CD2 3.93Å; Q59-L62 HydrophobicContact CB-CG 4.37Å; Q59-C74 PolarHBondContact NE2-SG 3.27Å; Q59-C74 VanDerWaalsContact NE2-SG 3.37Å; Q59-C74 VanDerWaalsContact OE1-CB 3.31Å; Q59-C74 PolarHBondContact OE1-SG 3.21Å | ||
| 60 | E | 89.8 | Confident | 95.9 | Very high | 190 Ų | 190 | 63.9 Ų | 63.9 | 89% | 0.888 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -67.2 | -36.3 | 178 | -169.6 | -172 | 171.9 | 0 | 0 | 111.9 | ||
| 61 | K | 94 | Very high | 96 | Very high | 162 Ų | 162 | 58.9 Ų | 58.9 | 70% | 0.704 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -120 | 112.3 | -178.4 | -64 | 179.8 | -175.2 | 174.2 | 0 | 109.7 | Q59 | Q59-K61 VanDerWaalsContact C-N 3.34Š|
| 62 | L | 97.1 | Very high | 96 | Very high | 30 Ų | 30 | 59.7 Ų | 59.7 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | trans | -116.6 | 149 | 174.2 | -65.7 | 172 | 0 | 0 | 0 | 110.7 | F50 C52 Q59 H72 Y73 | F50-L62 VanDerWaalsContact C-CD1 3.46Å; C52-L62 HydrophobicContact CB-CD2 4.26Å; Q59-L62 HydrophobicContact CB-CD2 3.93Å; Q59-L62 HydrophobicContact CB-CG 4.37Å; L62-H72 HydrophobicContact CB-CB 4Å; L62-H72 HydrophobicContact CD1-CB 3.99Å; L62-Y73 CarbonylContact C-O 3.4Å; L62-Y73 WeakPolarHBondContact CA-O 3.17Å | ||
| 63 | H | 97.2 | Very high | 96 | Very high | 114 Ų | 114 | 59.7 Ų | 59.7 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.3 | 175.6 | -61.1 | -69.1 | 0 | 0 | 0 | 110.7 | Y73 C74 | H63-Y73 PolarHBondContact N-O 3.28Å; H63-Y73 PolarHBondContact O-N 3.09Å; H63-C74 PolarHBondContact CD2-O 3.38Å; H63-C74 VanDerWaalsContact CD2-O 3.28Å |
| 64 | R | 97.6 | Very high | 95.9 | Very high | 147 Ų | 147 | 60.3 Ų | 60.3 | 56% | 0.555 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.7 | 178.9 | -171.4 | 175.1 | 68.8 | -176.2 | -6.9 | 112 | G66 K69 A71 | R64-G66 PolarHBondContact O-N 2.85Å; R64-K69 WeakPolarHBondContact CD-O 3.38Å; R64-A71 CarbonylContact C-O 3.49Å; R64-A71 WeakPolarHBondContact CA-O 3.14Å |
| 65 | C | 98.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.034 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 120.5 | 169.4 | -175 | 0 | 0 | 0 | 0 | 110.6 | Q67 K69 A71 Y73 | C65-Q67 PolarHBondContact O-N 2.97Å; C65-K69 VanDerWaalsContact O-CA 3.32Å; C65-K69 WeakPolarHBondContact O-CA 3.44Å; C65-K69 PolarHBondContact O-N 2.84Å; C65-A71 HydrophobicContact CB-CB 4.3Å; C65-A71 PolarHBondContact N-O 2.67Å; C65-Y73 HydrophobicContact CB-CE2 4.07Å |
| 66 | G | 96.9 | Very high | 95.7 | Very high | 62 Ų | 62 | 71.3 Ų | 71.3 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | R64 | R64-G66 PolarHBondContact O-N 2.85Š|
| 67 | Q | 97.1 | Very high | 95.5 | Very high | 122 Ų | 122 | 72.9 Ų | 72.9 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -56.6 | -175.5 | -69.1 | -61.9 | -32 | 0 | 0 | 112.9 | C65 | C65-Q67 PolarHBondContact O-N 2.97Š|
| 68 | C | 97.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 71.4 Ų | 71.4 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -17.4 | -177.9 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | F70 H86 C90 I93 | C68-F70 HydrophobicContact CB-CB 4.33Å; C68-F70 PolarHBondContact O-N 3.25Å; C68-F70 PolarHBondContact SG-N 3.02Å; C68-H86 VanDerWaalsContact SG-CE1 3.53Å; C68-C90 HydrophobicContact CB-CB 4.44Å; C68-I93 HydrophobicContact CB-CG2 4.47Å |
| 69 | K | 96.6 | Very high | 95.7 | Very high | 141 Ų | 141 | 70.4 Ų | 70.4 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 55 | 16.4 | -172.2 | -54.9 | 179.6 | -177.3 | 176.1 | 0 | 114.3 | R64 C65 | R64-K69 WeakPolarHBondContact CD-O 3.38Å; C65-K69 VanDerWaalsContact O-CA 3.32Å; C65-K69 WeakPolarHBondContact O-CA 3.44Å; C65-K69 PolarHBondContact O-N 2.84Å |
| 70 | F | 97.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 74 Ų | 74 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | trans | -103.9 | -60.4 | -178.6 | 165.4 | -112.4 | 0 | 0 | 0 | 111.8 | V48 H53 C68 H72 I93 V99 | V48-F70 HydrophobicContact CB-CE2 4.09Å; V48-F70 HydrophobicContact CG1-CE2 3.71Å; V48-F70 HydrophobicContact CG1-CZ 4.3Å; H53-F70 AromaticContact CD2-CE1 3.88Å; H53-F70 AromaticContact NE2-CE1 3.67Å; H53-F70 AromaticContact NE2-CE2 3.91Å; H53-F70 AromaticContact NE2-CZ 3.46Å; H53-F70 WeakPolarHBondContact NE2-CZ 2.74Å; C68-F70 HydrophobicContact CB-CB 4.33Å; C68-F70 PolarHBondContact O-N 3.25Å; C68-F70 PolarHBondContact SG-N 3.02Å; F70-H72 PolarHBondContact O-CE1 3.35Å; F70-H72 VanDerWaalsContact O-CE1 3.28Å; F70-H72 PolarHBondContact O-ND1 3.42Å; F70-I93 HydrophobicContact CB-CD1 4.17Å; F70-I93 HydrophobicContact CB-CG2 4.46Å; F70-I93 HydrophobicContact CD1-CD1 3.25Å; F70-I93 HydrophobicContact CE1-CD1 3.72Å; F70-I93 HydrophobicContact CG-CD1 3.76Å; F70-V99 HydrophobicContact CB-CG2 4.23Å; F70-V99 HydrophobicContact CD2-CB 4.32Å; F70-V99 HydrophobicContact CD2-CG1 3.7Å; F70-V99 HydrophobicContact CD2-CG2 3.59Å; F70-V99 HydrophobicContact CE2-CB 4.44Å; F70-V99 HydrophobicContact CE2-CG1 3.4Å; F70-V99 HydrophobicContact CE2-CG2 4.2Å; F70-V99 HydrophobicContact CG-CG1 4.43Å; F70-V99 HydrophobicContact CG-CG2 4.02Å; F70-V99 HydrophobicContact CZ-CG1 3.91Å | ||
| 71 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -72.1 | 139.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H53 R64 C65 Y73 H86 | H53-A71 HydrophobicContact CB-CB 4.38Å; R64-A71 CarbonylContact C-O 3.49Å; R64-A71 WeakPolarHBondContact CA-O 3.14Å; C65-A71 HydrophobicContact CB-CB 4.3Å; C65-A71 PolarHBondContact N-O 2.67Å; A71-Y73 HydrophobicContact CB-CE1 4.36Å; A71-Y73 HydrophobicContact CB-CE2 4.02Å; A71-Y73 VanDerWaalsContact CB-OH 3.23Å; A71-Y73 WeakPolarHBondContact CB-OH 3.23Å; A71-H86 WeakPolarHBondContact CB-CE1 3.4Å | ||
| 72 | H | 98.4 | Very high | 96.2 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.9 | 179 | -70.5 | 84.6 | 0 | 0 | 0 | 111.2 | V48 N49 C52 H53 L62 F70 | V48-H72 PolarHBondContact O-ND1 2.83Å; N49-H72 PolarHBondContact OD1-CE1 3.35Å; C52-H72 CarbonylContact C-O 3.59Å; C52-H72 WeakPolarHBondContact CA-O 3.33Å; H53-H72 PolarHBondContact N-O 2.89Å; H53-H72 PolarHBondContact ND1-N 3.45Å; L62-H72 HydrophobicContact CB-CB 4Å; L62-H72 HydrophobicContact CD1-CB 3.99Å; F70-H72 PolarHBondContact O-CE1 3.35Å; F70-H72 VanDerWaalsContact O-CE1 3.28Å; F70-H72 PolarHBondContact O-ND1 3.42Å |
| 73 | Y | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 149.2 | -174.1 | -51.9 | -71.3 | 0 | 0 | 0 | 112.1 | H53 T54 L62 H63 C65 A71 D75 C78 Q79 A82 H86 | H53-Y73 HydrophobicContact CB-CE1 4.18Å; T54-Y73 VanDerWaalsContact OG1-CD1 3.3Å; T54-Y73 WeakPolarHBondContact OG1-CD1 3.45Å; L62-Y73 CarbonylContact C-O 3.4Å; L62-Y73 WeakPolarHBondContact CA-O 3.17Å; H63-Y73 PolarHBondContact N-O 3.28Å; H63-Y73 PolarHBondContact O-N 3.09Å; C65-Y73 HydrophobicContact CB-CE2 4.07Å; A71-Y73 HydrophobicContact CB-CE1 4.36Å; A71-Y73 HydrophobicContact CB-CE2 4.02Å; A71-Y73 VanDerWaalsContact CB-OH 3.23Å; A71-Y73 WeakPolarHBondContact CB-OH 3.23Å; Y73-D75 VanDerWaalsContact C-N 3.28Å; Y73-D75 PolarHBondContact O-N 2.81Å; Y73-C78 HydrophobicContact CD1-CB 4.38Å; Y73-Q79 HydrophobicContact CD1-CB 4.33Å; Y73-Q79 HydrophobicContact CD2-CB 3.64Å; Y73-Q79 HydrophobicContact CD2-CG 3.72Å; Y73-Q79 HydrophobicContact CE2-CB 4.03Å; Y73-Q79 HydrophobicContact CE2-CG 3.66Å; Y73-Q79 HydrophobicContact CG-CB 3.8Å; Y73-Q79 HydrophobicContact CG-CG 4.36Å; Y73-A82 HydrophobicContact CD1-CB 4.44Å; Y73-A82 HydrophobicContact CE1-CB 3.61Å; Y73-H86 PolarHBondContact OH-CD2 2.76Å; Y73-H86 VanDerWaalsContact OH-CG 3.28Å; Y73-H86 PolarHBondContact OH-NE2 3.26Å |
| 74 | C | 95.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 65.7 Ų | 65.7 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -58.7 | -43.2 | 170.9 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | C52 Q59 H63 | C52-C74 WeakPolarHBondContact CB-SG 3.27Å; Q59-C74 PolarHBondContact NE2-SG 3.27Å; Q59-C74 VanDerWaalsContact NE2-SG 3.37Å; Q59-C74 VanDerWaalsContact OE1-CB 3.31Å; Q59-C74 PolarHBondContact OE1-SG 3.21Å; H63-C74 PolarHBondContact CD2-O 3.38Å; H63-C74 VanDerWaalsContact CD2-O 3.28Å |
| 75 | D | 93.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 61.3 Ų | 61.3 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -160.3 | -176.4 | -174.7 | 65.7 | 7.6 | 0 | 0 | 0 | 111.5 | Y73 T77 C78 Q79 | Y73-D75 VanDerWaalsContact C-N 3.28Å; Y73-D75 PolarHBondContact O-N 2.81Å; D75-T77 PolarHBondContact O-N 3Å; D75-T77 VanDerWaalsContact OD1-CA 3.31Å; D75-T77 WeakPolarHBondContact OD1-CA 3.36Å; D75-T77 WeakPolarHBondContact OD1-CB 3.4Å; D75-T77 PolarHBondContact OD1-N 3.32Å; D75-T77 PolarHBondContact OD1-OG1 3.49Å; D75-T77 WeakPolarHBondContact OD2-CB 3.27Å; D75-T77 PolarHBondContact OD2-OG1 3Å; D75-C78 PolarHBondContact O-N 3.04Å; D75-C78 PolarHBondContact OD1-N 2.94Å; D75-Q79 PolarHBondContact O-N 3.35Å; D75-Q79 VanDerWaalsContact O-N 3.13Å |
| 76 | R | 94 | Very high | 95.8 | Very high | 199 Ų | 199 | 61.1 Ų | 61.1 | 75% | 0.751 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.9 | -20.8 | 174.4 | -70.1 | -175.1 | 178.6 | -178.8 | 0.2 | 113 | K80 | R76-K80 WeakPolarHBondContact O-CB 3.35Å; R76-K80 VanDerWaalsContact O-CG 3.25Å; R76-K80 WeakPolarHBondContact O-CG 3.41Å; R76-K80 PolarHBondContact O-N 3.28Å; R76-K80 VanDerWaalsContact O-N 3.08Å |
| 77 | T | 92.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 63.9 Ų | 63.9 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.4 | -54.8 | 177.8 | -36.5 | 0 | 0 | 0 | 0 | 109.3 | D75 Q79 K80 D81 | D75-T77 PolarHBondContact O-N 3Å; D75-T77 VanDerWaalsContact OD1-CA 3.31Å; D75-T77 WeakPolarHBondContact OD1-CA 3.36Å; D75-T77 WeakPolarHBondContact OD1-CB 3.4Å; D75-T77 PolarHBondContact OD1-N 3.32Å; D75-T77 PolarHBondContact OD1-OG1 3.49Å; D75-T77 WeakPolarHBondContact OD2-CB 3.27Å; D75-T77 PolarHBondContact OD2-OG1 3Å; T77-Q79 VanDerWaalsContact C-N 3.26Å; T77-Q79 PolarHBondContact O-N 2.96Å; T77-K80 PolarHBondContact O-N 3.16Å; T77-K80 VanDerWaalsContact O-N 3.1Å; T77-D81 PolarHBondContact O-N 3.18Å |
| 78 | C | 94.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -38.7 | 175 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | T54 Y73 D75 D81 A82 | T54-C78 HydrophobicContact CG2-CB 4.3Å; T54-C78 WeakPolarHBondContact CG2-O 3.19Å; T54-C78 PolarHBondContact OG1-O 2.7Å; Y73-C78 HydrophobicContact CD1-CB 4.38Å; D75-C78 PolarHBondContact O-N 3.04Å; D75-C78 PolarHBondContact OD1-N 2.94Å; C78-D81 PolarHBondContact O-N 2.96Å; C78-A82 WeakPolarHBondContact O-CB 3.49Å; C78-A82 PolarHBondContact O-N 2.67Å |
| 79 | Q | 96.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 176.4 | -175.8 | 176.9 | 23.5 | 0 | 0 | 112.5 | Y73 D75 T77 W83 | Y73-Q79 HydrophobicContact CD1-CB 4.33Å; Y73-Q79 HydrophobicContact CD2-CB 3.64Å; Y73-Q79 HydrophobicContact CD2-CG 3.72Å; Y73-Q79 HydrophobicContact CE2-CB 4.03Å; Y73-Q79 HydrophobicContact CE2-CG 3.66Å; Y73-Q79 HydrophobicContact CG-CB 3.8Å; Y73-Q79 HydrophobicContact CG-CG 4.36Å; D75-Q79 PolarHBondContact O-N 3.35Å; D75-Q79 VanDerWaalsContact O-N 3.13Å; T77-Q79 VanDerWaalsContact C-N 3.26Å; T77-Q79 PolarHBondContact O-N 2.96Å; Q79-W83 PolarHBondContact O-N 3.18Å |
| 80 | K | 95.4 | Very high | 96 | Very high | 157 Ų | 157 | 53.5 Ų | 53.5 | 68% | 0.683 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -66.5 | -45.6 | 177.4 | -76.8 | 174 | -179.7 | -174.7 | 0 | 111.2 | R76 T77 A82 W83 | R76-K80 WeakPolarHBondContact O-CB 3.35Å; R76-K80 VanDerWaalsContact O-CG 3.25Å; R76-K80 WeakPolarHBondContact O-CG 3.41Å; R76-K80 PolarHBondContact O-N 3.28Å; R76-K80 VanDerWaalsContact O-N 3.08Å; T77-K80 PolarHBondContact O-N 3.16Å; T77-K80 VanDerWaalsContact O-N 3.1Å; K80-A82 VanDerWaalsContact C-N 3.29Å; K80-A82 PolarHBondContact O-N 3.04Å; K80-W83 VanDerWaalsContact O-CB 3.29Å; K80-W83 WeakPolarHBondContact O-CB 3.21Å; K80-W83 PolarHBondContact O-N 3.25Å; K80-W83 VanDerWaalsContact O-N 3.08Å |
| 81 | D | 93 | Very high | 96 | Very high | 76 Ų | 76 | 55.8 Ų | 55.8 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -34.3 | -178.5 | -67.1 | -10.6 | 0 | 0 | 0 | 111.6 | T54 T77 C78 W83 H221 | T54-D81 HydrophobicContact CG2-CB 4.06Å; T77-D81 PolarHBondContact O-N 3.18Å; C78-D81 PolarHBondContact O-N 2.96Å; D81-W83 VanDerWaalsContact C-N 3.31Å; D81-W83 PolarHBondContact O-N 2.88Å; D81-H221 IonicContact OD2-CE1 3.32Å; D81-H221 PolarHBondContact OD2-CE1 3.22Å; D81-H221 IonicContact OD2-ND1 3.09Å |
| 82 | A | 95.7 | Very high | 96 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72 | -19.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T54 Y73 C78 K80 L84 N85 H86 | T54-A82 HydrophobicContact CG2-CB 4.28Å; T54-A82 WeakPolarHBondContact OG1-CB 3.21Å; Y73-A82 HydrophobicContact CD1-CB 4.44Å; Y73-A82 HydrophobicContact CE1-CB 3.61Å; C78-A82 WeakPolarHBondContact O-CB 3.49Å; C78-A82 PolarHBondContact O-N 2.67Å; K80-A82 VanDerWaalsContact C-N 3.29Å; K80-A82 PolarHBondContact O-N 3.04Å; A82-L84 VanDerWaalsContact C-N 3.27Å; A82-L84 PolarHBondContact O-N 3.35Å; A82-L84 VanDerWaalsContact O-N 3.16Å; A82-N85 PolarHBondContact O-N 2.89Å; A82-H86 HydrophobicContact CB-CB 4.39Å; A82-H86 VanDerWaalsContact O-CB 3.3Å; A82-H86 WeakPolarHBondContact O-CB 3.48Å; A82-H86 PolarHBondContact O-N 3.11Å |
| 83 | W | 97.4 | Very high | 96 | Very high | 125 Ų | 125 | 55.4 Ų | 55.4 | 47% | 0.473 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.8 | -35.4 | -165.9 | -173.5 | -118.4 | 0 | 0 | 0 | 113.5 | Q79 K80 D81 N85 H86 K87 | Q79-W83 PolarHBondContact O-N 3.18Å; K80-W83 VanDerWaalsContact O-CB 3.29Å; K80-W83 WeakPolarHBondContact O-CB 3.21Å; K80-W83 PolarHBondContact O-N 3.25Å; K80-W83 VanDerWaalsContact O-N 3.08Å; D81-W83 VanDerWaalsContact C-N 3.31Å; D81-W83 PolarHBondContact O-N 2.88Å; W83-N85 PolarHBondContact O-N 3.35Å; W83-H86 PolarHBondContact O-N 3.37Å; W83-K87 HydrophobicContact CD2-CB 4.08Å; W83-K87 HydrophobicContact CE3-CB 4.36Å; W83-K87 HydrophobicContact CH2-CB 4.26Å; W83-K87 HydrophobicContact CH2-CG 4.17Å; W83-K87 HydrophobicContact CZ2-CB 3.98Å; W83-K87 HydrophobicContact CZ2-CD 4.17Å; W83-K87 HydrophobicContact CZ2-CG 3.69Å; W83-K87 HydrophobicContact CZ3-CB 4.45Å; W83-K87 WeakPolarHBondContact O-CB 3.33Å; W83-K87 PolarHBondContact O-N 2.89Å |
| 84 | L | 95.4 | Very high | 96 | Very high | 110 Ų | 110 | 61.7 Ų | 61.7 | 58% | 0.576 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -53.5 | -42 | 176.4 | 179.1 | 63.4 | 0 | 0 | 0 | 112.4 | A82 | A82-L84 VanDerWaalsContact C-N 3.27Å; A82-L84 PolarHBondContact O-N 3.35Å; A82-L84 VanDerWaalsContact O-N 3.16Å |
| 85 | N | 92.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 66.1 Ų | 66.1 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -95.6 | -31.5 | -178.4 | -64.4 | -36.5 | 0 | 0 | 0 | 112.2 | A82 W83 R116 | A82-N85 PolarHBondContact O-N 2.89Å; W83-N85 PolarHBondContact O-N 3.35Å; N85-R116 PolarHBondContact OD1-NH1 3.42Å |
| 86 | H | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -79.5 | -25.2 | -177.2 | -177.9 | 57.3 | 0 | 0 | 0 | 113.3 | C68 A71 Y73 A82 W83 N88 E89 C90 | C68-H86 VanDerWaalsContact SG-CE1 3.53Å; A71-H86 WeakPolarHBondContact CB-CE1 3.4Å; Y73-H86 PolarHBondContact OH-CD2 2.76Å; Y73-H86 VanDerWaalsContact OH-CG 3.28Å; Y73-H86 PolarHBondContact OH-NE2 3.26Å; A82-H86 HydrophobicContact CB-CB 4.39Å; A82-H86 VanDerWaalsContact O-CB 3.3Å; A82-H86 WeakPolarHBondContact O-CB 3.48Å; A82-H86 PolarHBondContact O-N 3.11Å; W83-H86 PolarHBondContact O-N 3.37Å; H86-N88 VanDerWaalsContact C-N 3.35Å; H86-N88 PolarHBondContact O-N 2.95Å; H86-E89 IonicContact CE1-OE2 3.77Å; H86-E89 IonicContact ND1-OE2 2.99Å; H86-E89 PolarHBondContact ND1-OE2 3.42Å; H86-E89 PolarHBondContact O-N 3.43Å; H86-C90 WeakPolarHBondContact NE2-CB 3.46Å; H86-C90 WeakPolarHBondContact O-CB 3.43Å; H86-C90 PolarHBondContact O-N 2.98Å |
| 87 | K | 97.6 | Very high | 96.5 | Very high | 119 Ų | 119 | 59.9 Ų | 59.9 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.2 | -49.8 | -175.1 | 178.9 | -178.4 | 177.5 | -169.5 | 0 | 112.5 | W83 S91 | W83-K87 HydrophobicContact CD2-CB 4.08Å; W83-K87 HydrophobicContact CE3-CB 4.36Å; W83-K87 HydrophobicContact CH2-CB 4.26Å; W83-K87 HydrophobicContact CH2-CG 4.17Å; W83-K87 HydrophobicContact CZ2-CB 3.98Å; W83-K87 HydrophobicContact CZ2-CD 4.17Å; W83-K87 HydrophobicContact CZ2-CG 3.69Å; W83-K87 HydrophobicContact CZ3-CB 4.45Å; W83-K87 WeakPolarHBondContact O-CB 3.33Å; W83-K87 PolarHBondContact O-N 2.89Å; K87-S91 PolarHBondContact O-N 3.22Å |
| 88 | N | 97.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.4 | -49.1 | -178.6 | -66.5 | 11.7 | 0 | 0 | 0 | 110.7 | H86 C90 S91 A92 W112 | H86-N88 VanDerWaalsContact C-N 3.35Å; H86-N88 PolarHBondContact O-N 2.95Å; N88-C90 VanDerWaalsContact C-N 3.33Å; N88-C90 PolarHBondContact O-N 2.96Å; N88-S91 PolarHBondContact O-N 3.12Å; N88-S91 PolarHBondContact O-OG 3.02Å; N88-A92 WeakPolarHBondContact O-CB 3.48Å; N88-A92 PolarHBondContact O-N 3.29Å; N88-W112 HydrophobicContact CB-CD2 3.58Å; N88-W112 HydrophobicContact CB-CE3 4.01Å; N88-W112 HydrophobicContact CB-CG 3.92Å; N88-W112 HydrophobicContact CB-CH2 4.41Å; N88-W112 HydrophobicContact CB-CZ2 4Å; N88-W112 HydrophobicContact CB-CZ3 4.42Å |
| 89 | E | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.7 | -43.6 | 176 | -177 | -171.4 | -107.5 | 0 | 0 | 112.6 | H86 S91 A92 I93 R109 W112 Y157 | H86-E89 IonicContact CE1-OE2 3.77Å; H86-E89 IonicContact ND1-OE2 2.99Å; H86-E89 PolarHBondContact ND1-OE2 3.42Å; H86-E89 PolarHBondContact O-N 3.43Å; E89-S91 VanDerWaalsContact C-N 3.33Å; E89-S91 PolarHBondContact O-N 2.69Å; E89-A92 PolarHBondContact O-N 3.13Å; E89-I93 HydrophobicContact CG-CD1 3.74Å; E89-I93 HydrophobicContact CG-CG1 4.27Å; E89-I93 WeakPolarHBondContact O-CB 3.11Å; E89-I93 WeakPolarHBondContact O-CG1 3.5Å; E89-I93 PolarHBondContact O-N 3.37Å; E89-R109 VanDerWaalsContact CD-NH2 3.28Å; E89-R109 IonicContact OE1-CZ 3.67Å; E89-R109 IonicContact OE1-NE 3.56Å; E89-R109 PolarHBondContact OE1-NE 3.42Å; E89-R109 IonicContact OE1-NH2 2.93Å; E89-R109 PolarHBondContact OE1-NH2 3.4Å; E89-R109 VanDerWaalsContact OE1-NH2 3.09Å; E89-R109 IonicContact OE2-CZ 3.97Å; E89-R109 IonicContact OE2-NE 3.89Å; E89-R109 IonicContact OE2-NH2 2.72Å; E89-R109 PolarHBondContact OE2-NH2 2.97Å; E89-W112 HydrophobicContact CB-CH2 4.27Å; E89-W112 HydrophobicContact CB-CZ3 3.8Å; E89-Y157 WeakPolarHBondContact CG-OH 3.35Å |
| 90 | C | 98.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.054 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | C68 H86 N88 K94 | C68-C90 HydrophobicContact CB-CB 4.44Å; H86-C90 WeakPolarHBondContact NE2-CB 3.46Å; H86-C90 WeakPolarHBondContact O-CB 3.43Å; H86-C90 PolarHBondContact O-N 2.98Å; N88-C90 VanDerWaalsContact C-N 3.33Å; N88-C90 PolarHBondContact O-N 2.96Å; C90-K94 WeakPolarHBondContact O-CB 3.47Å; C90-K94 PolarHBondContact O-N 2.8Å |
| 91 | S | 97.8 | Very high | 96.8 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.1 | -39 | 177.5 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | K87 N88 E89 K94 R95 | K87-S91 PolarHBondContact O-N 3.22Å; N88-S91 PolarHBondContact O-N 3.12Å; N88-S91 PolarHBondContact O-OG 3.02Å; E89-S91 VanDerWaalsContact C-N 3.33Å; E89-S91 PolarHBondContact O-N 2.69Å; S91-K94 PolarHBondContact O-N 2.92Å; S91-R95 WeakPolarHBondContact O-CB 3.3Å; S91-R95 PolarHBondContact O-N 2.97Å |
| 92 | A | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.3 | -45.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N88 E89 K94 R95 Y96 W112 Y157 P159 | N88-A92 WeakPolarHBondContact O-CB 3.48Å; N88-A92 PolarHBondContact O-N 3.29Å; E89-A92 PolarHBondContact O-N 3.13Å; A92-K94 VanDerWaalsContact C-N 3.33Å; A92-K94 PolarHBondContact O-N 3.25Å; A92-R95 PolarHBondContact O-N 2.84Å; A92-Y96 VanDerWaalsContact O-CB 3.26Å; A92-Y96 WeakPolarHBondContact O-CB 3.33Å; A92-Y96 PolarHBondContact O-N 2.94Å; A92-W112 HydrophobicContact CB-CH2 3.74Å; A92-W112 HydrophobicContact CB-CZ2 3.87Å; A92-Y157 HydrophobicContact CB-CD2 4.29Å; A92-Y157 HydrophobicContact CB-CE2 3.57Å; A92-P159 HydrophobicContact CB-CG 4.09Å |
| 93 | I | 98.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.4 | -71.5 | 174.6 | 0 | 0 | 0 | 110.5 | C68 F70 E89 R95 Y96 G97 V99 Y157 | C68-I93 HydrophobicContact CB-CG2 4.47Å; F70-I93 HydrophobicContact CB-CD1 4.17Å; F70-I93 HydrophobicContact CB-CG2 4.46Å; F70-I93 HydrophobicContact CD1-CD1 3.25Å; F70-I93 HydrophobicContact CE1-CD1 3.72Å; F70-I93 HydrophobicContact CG-CD1 3.76Å; E89-I93 HydrophobicContact CG-CD1 3.74Å; E89-I93 HydrophobicContact CG-CG1 4.27Å; E89-I93 WeakPolarHBondContact O-CB 3.11Å; E89-I93 WeakPolarHBondContact O-CG1 3.5Å; E89-I93 PolarHBondContact O-N 3.37Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 3.18Å; I93-Y96 PolarHBondContact O-N 2.93Å; I93-G97 PolarHBondContact O-N 2.87Å; I93-V99 HydrophobicContact CG2-CG2 4.08Å; I93-Y157 HydrophobicContact CG1-CE2 3.89Å |
| 94 | K | 97.4 | Very high | 97.2 | Very high | 134 Ų | 134 | 54.8 Ų | 54.8 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.8 | -40.1 | 178.8 | -172.2 | 176.8 | -179.6 | -179.7 | 0 | 112.1 | C90 S91 A92 | C90-K94 WeakPolarHBondContact O-CB 3.47Å; C90-K94 PolarHBondContact O-N 2.8Å; S91-K94 PolarHBondContact O-N 2.92Å; A92-K94 VanDerWaalsContact C-N 3.33Å; A92-K94 PolarHBondContact O-N 3.25Å |
| 95 | R | 97.5 | Very high | 97.3 | Very high | 112 Ų | 112 | 49.5 Ų | 49.5 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69 | -44.5 | 177.6 | -178.4 | -171.6 | 69.7 | 110.9 | 0.4 | 112.1 | S91 A92 I93 G97 Q156 Y157 W158 | S91-R95 WeakPolarHBondContact O-CB 3.3Å; S91-R95 PolarHBondContact O-N 2.97Å; A92-R95 PolarHBondContact O-N 2.84Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 3.18Å; R95-G97 VanDerWaalsContact C-N 3.3Å; R95-Q156 PolarHBondContact NH2-O 3.16Å; R95-Y157 PolarHBondContact NH2-O 2.84Å; R95-W158 PolarHBondContact NH2-O 3.48Å |
| 96 | Y | 97.7 | Very high | 97.6 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 24% | 0.239 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.4 | -26 | -179.8 | -174.6 | -124 | 0 | 0 | 0 | 112.1 | A92 I93 K98 P100 Q156 Y157 | A92-Y96 VanDerWaalsContact O-CB 3.26Å; A92-Y96 WeakPolarHBondContact O-CB 3.33Å; A92-Y96 PolarHBondContact O-N 2.94Å; I93-Y96 PolarHBondContact O-N 2.93Å; Y96-K98 HydrophobicContact CD1-CB 4.09Å; Y96-K98 WeakPolarHBondContact CD1-O 3.48Å; Y96-K98 HydrophobicContact CE1-CB 4Å; Y96-K98 PolarHBondContact O-N 3.19Å; Y96-P100 HydrophobicContact CD1-CG 4.13Å; Y96-P100 HydrophobicContact CE1-CG 4.16Å; Y96-Q156 HydrophobicContact CD2-CB 4.36Å; Y96-Q156 HydrophobicContact CE2-CB 3.68Å; Y96-Y157 AromaticContact CD1-CD2 3.89Å; Y96-Y157 HydrophobicContact CD1-CD2 3.89Å; Y96-Y157 AromaticContact CG-CD2 3.99Å; Y96-Y157 HydrophobicContact CG-CD2 3.99Å |
| 97 | G | 96.6 | Very high | 97.7 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 64% | 0.639 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 79.6 | -3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I93 R95 | I93-G97 PolarHBondContact O-N 2.87Å; R95-G97 VanDerWaalsContact C-N 3.3Å |
| 98 | K | 95.4 | Very high | 97.7 | Very high | 152 Ų | 152 | 41.2 Ų | 41.2 | 66% | 0.661 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -138.8 | 164.4 | 177.3 | -65.5 | -178.7 | -177.5 | 176.4 | 0 | 110.2 | Y96 | Y96-K98 HydrophobicContact CD1-CB 4.09Å; Y96-K98 WeakPolarHBondContact CD1-O 3.48Å; Y96-K98 HydrophobicContact CE1-CB 4Å; Y96-K98 PolarHBondContact O-N 3.19Å |
| 99 | V | 97.4 | Very high | 97.7 | Very high | 67 Ų | 67 | 39.6 Ų | 39.6 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -97.2 | 117.8 | 173.6 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | F70 I93 | F70-V99 HydrophobicContact CB-CG2 4.23Å; F70-V99 HydrophobicContact CD2-CB 4.32Å; F70-V99 HydrophobicContact CD2-CG1 3.7Å; F70-V99 HydrophobicContact CD2-CG2 3.59Å; F70-V99 HydrophobicContact CE2-CB 4.44Å; F70-V99 HydrophobicContact CE2-CG1 3.4Å; F70-V99 HydrophobicContact CE2-CG2 4.2Å; F70-V99 HydrophobicContact CG-CG1 4.43Å; F70-V99 HydrophobicContact CG-CG2 4.02Å; F70-V99 HydrophobicContact CZ-CG1 3.91Å; I93-V99 HydrophobicContact CG2-CG2 4.08Å |
| 100 | P | 97.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 164 | 171.4 | -15.1 | 29 | 0 | 0 | 0 | 111.7 | Y96 I104 R105 Y157 | Y96-P100 HydrophobicContact CD1-CG 4.13Å; Y96-P100 HydrophobicContact CE1-CG 4.16Å; P100-I104 HydrophobicContact CB-CB 3.73Å; P100-I104 HydrophobicContact CB-CD1 4.03Å; P100-I104 HydrophobicContact CB-CG2 3.47Å; P100-I104 VanDerWaalsContact CB-CG2 3.47Å; P100-I104 HydrophobicContact CG-CG2 4.07Å; P100-R105 HydrophobicContact CB-CG 4.41Å; P100-R105 WeakPolarHBondContact O-CD 3.48Å; P100-R105 PolarHBondContact O-NE 2.99Å; P100-R105 VanDerWaalsContact O-NE 3.09Å; P100-Y157 HydrophobicContact CG-CD1 3.83Å; P100-Y157 HydrophobicContact CG-CD2 3.4Å; P100-Y157 VanDerWaalsContact CG-CD2 3.4Å; P100-Y157 HydrophobicContact CG-CE1 4.1Å; P100-Y157 HydrophobicContact CG-CE2 3.71Å; P100-Y157 HydrophobicContact CG-CG 3.46Å; P100-Y157 VanDerWaalsContact CG-CG 3.46Å |
| 101 | N | 96.8 | Very high | 97.8 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 165.2 | 177.6 | 70.1 | 36.5 | 0 | 0 | 0 | 112.8 | D45 N103 I104 R105 D150 | D45-N101 VanDerWaalsContact OD2-CA 3.25Å; D45-N101 WeakPolarHBondContact OD2-CA 3.48Å; N101-N103 VanDerWaalsContact C-N 3.29Å; N101-N103 PolarHBondContact O-N 2.78Å; N101-N103 PolarHBondContact OD1-N 2.79Å; N101-N103 VanDerWaalsContact OD1-N 3.09Å; N101-I104 PolarHBondContact O-N 2.86Å; N101-I104 VanDerWaalsContact OD1-CG1 3.29Å; N101-I104 WeakPolarHBondContact OD1-CG1 3.42Å; N101-I104 PolarHBondContact OD1-N 3.45Å; N101-R105 WeakPolarHBondContact O-CG 3.35Å; N101-R105 PolarHBondContact O-N 3.05Å; N101-D150 PolarHBondContact ND2-OD1 2.84Å |
| 102 | E | 97.4 | Very high | 97.8 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 22% | 0.224 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53 | -40.4 | 178.9 | 48.6 | -103.3 | -159.6 | 0 | 0 | 114.7 | V42 F44 D45 R105 L106 | V42-E102 HydrophobicContact CG2-CB 4.09Å; F44-E102 HydrophobicContact CD1-CG 4.24Å; D45-E102 WeakPolarHBondContact CB-OE2 3.48Å; D45-E102 PolarHBondContact N-OE2 3.16Å; D45-E102 PolarHBondContact OD1-N 3.04Å; D45-E102 VanDerWaalsContact OD2-OE2 3.05Å; E102-R105 PolarHBondContact O-N 3.15Å; E102-R105 IonicContact OE2-NH2 3.62Å; E102-L106 WeakPolarHBondContact O-CB 3.16Å; E102-L106 PolarHBondContact O-N 3.41Å |
| 103 | N | 97.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | -178 | -72.3 | -17.1 | 0 | 0 | 0 | 111.3 | N101 R105 L106 A107 F174 | N101-N103 VanDerWaalsContact C-N 3.29Å; N101-N103 PolarHBondContact O-N 2.78Å; N101-N103 PolarHBondContact OD1-N 2.79Å; N101-N103 VanDerWaalsContact OD1-N 3.09Å; N103-R105 VanDerWaalsContact C-N 3.35Å; N103-R105 PolarHBondContact O-N 3.12Å; N103-L106 PolarHBondContact O-N 3.39Å; N103-A107 WeakPolarHBondContact O-CB 3.33Å; N103-A107 PolarHBondContact O-N 2.82Å; N103-F174 HydrophobicContact CB-CD1 4.32Å; N103-F174 HydrophobicContact CB-CE1 4.08Å |
| 104 | I | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.2 | -64.8 | 163 | 0 | 0 | 0 | 110.5 | P100 N101 L106 A107 A108 D150 T153 F154 Y157 F174 | P100-I104 HydrophobicContact CB-CB 3.73Å; P100-I104 HydrophobicContact CB-CD1 4.03Å; P100-I104 HydrophobicContact CB-CG2 3.47Å; P100-I104 VanDerWaalsContact CB-CG2 3.47Å; P100-I104 HydrophobicContact CG-CG2 4.07Å; N101-I104 PolarHBondContact O-N 2.86Å; N101-I104 VanDerWaalsContact OD1-CG1 3.29Å; N101-I104 WeakPolarHBondContact OD1-CG1 3.42Å; N101-I104 PolarHBondContact OD1-N 3.45Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-A107 PolarHBondContact O-N 2.81Å; I104-A108 WeakPolarHBondContact O-CB 3.48Å; I104-A108 PolarHBondContact O-N 3.23Å; I104-D150 HydrophobicContact CG1-CB 4.22Å; I104-T153 HydrophobicContact CD1-CG2 3.51Å; I104-F154 HydrophobicContact CG2-CB 4.17Å; I104-F154 HydrophobicContact CG2-CD2 4.13Å; I104-Y157 HydrophobicContact CG2-CD1 3.91Å; I104-F174 HydrophobicContact CB-CZ 4.47Å; I104-F174 HydrophobicContact CG1-CE1 4.08Å; I104-F174 HydrophobicContact CG1-CZ 3.91Å |
| 105 | R | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 177 | -71.3 | -175.2 | -70.6 | 110.8 | -5.1 | 111.5 | V42 V43 D45 P100 N101 E102 N103 R109 | V42-R105 HydrophobicContact CG1-CB 4.08Å; V43-R105 PolarHBondContact O-NH1 3.28Å; V43-R105 VanDerWaalsContact O-NH1 3.09Å; V43-R105 PolarHBondContact O-NH2 3.09Å; D45-R105 IonicContact OD1-CZ 2.75Å; D45-R105 IonicContact OD1-NE 2.78Å; D45-R105 IonicContact OD1-NH2 2.64Å; D45-R105 PolarHBondContact OD1-NH2 3.44Å; P100-R105 HydrophobicContact CB-CG 4.41Å; P100-R105 WeakPolarHBondContact O-CD 3.48Å; P100-R105 PolarHBondContact O-NE 2.99Å; P100-R105 VanDerWaalsContact O-NE 3.09Å; N101-R105 WeakPolarHBondContact O-CG 3.35Å; N101-R105 PolarHBondContact O-N 3.05Å; E102-R105 PolarHBondContact O-N 3.15Å; E102-R105 IonicContact OE2-NH2 3.62Å; N103-R105 VanDerWaalsContact C-N 3.35Å; N103-R105 PolarHBondContact O-N 3.12Å; R105-R109 WeakPolarHBondContact O-CG 3.21Å; R105-R109 PolarHBondContact O-N 2.92Å |
| 106 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 177.5 | -177.4 | 55.8 | 0 | 0 | 0 | 111.5 | V42 E102 N103 I104 A108 R109 I110 I177 V195 I197 | V42-L106 HydrophobicContact CG1-CB 4.16Å; V42-L106 HydrophobicContact CG1-CD1 4.41Å; V42-L106 HydrophobicContact CG2-CB 3.85Å; E102-L106 WeakPolarHBondContact O-CB 3.16Å; E102-L106 PolarHBondContact O-N 3.41Å; N103-L106 PolarHBondContact O-N 3.39Å; I104-L106 VanDerWaalsContact C-N 3.35Å; L106-A108 VanDerWaalsContact C-N 3.3Å; L106-A108 PolarHBondContact O-N 3.04Å; L106-R109 PolarHBondContact O-N 3.32Å; L106-R109 VanDerWaalsContact O-N 3.14Å; L106-I110 HydrophobicContact CD1-CD1 4.36Å; L106-I110 HydrophobicContact CD1-CG1 4.43Å; L106-I110 HydrophobicContact CG-CD1 4.11Å; L106-I110 WeakPolarHBondContact O-CG1 3.27Å; L106-I110 PolarHBondContact O-N 3.02Å; L106-I177 HydrophobicContact CB-CD1 4.1Å; L106-I177 HydrophobicContact CD2-CD1 4.18Å; L106-I177 HydrophobicContact CD2-CG1 3.96Å; L106-I177 HydrophobicContact CD2-CG2 3.84Å; L106-I177 HydrophobicContact CG-CD1 3.93Å; L106-I177 HydrophobicContact CG-CG1 4.13Å; L106-V195 HydrophobicContact CD2-CG1 4.01Å; L106-V195 HydrophobicContact CD2-CG2 4.23Å; L106-I197 HydrophobicContact CD2-CG1 4.19Å |
| 107 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.6 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N103 I104 I110 M111 F154 I173 F174 I177 | N103-A107 WeakPolarHBondContact O-CB 3.33Å; N103-A107 PolarHBondContact O-N 2.82Å; I104-A107 PolarHBondContact O-N 2.81Å; A107-I110 PolarHBondContact O-N 2.86Å; A107-M111 HydrophobicContact CB-CE 3.86Å; A107-M111 VanDerWaalsContact O-CE 3.31Å; A107-M111 WeakPolarHBondContact O-CE 3.4Å; A107-M111 PolarHBondContact O-N 3.2Å; A107-F154 HydrophobicContact CB-CD2 4.48Å; A107-I173 HydrophobicContact CB-CG2 4.1Å; A107-F174 HydrophobicContact CB-CE1 4.07Å; A107-F174 HydrophobicContact CB-CE2 4.17Å; A107-F174 HydrophobicContact CB-CZ 3.88Å; A107-I177 HydrophobicContact CB-CD1 3.78Å |
| 108 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I104 L106 I110 M111 W112 F154 Y157 W158 | I104-A108 WeakPolarHBondContact O-CB 3.48Å; I104-A108 PolarHBondContact O-N 3.23Å; L106-A108 VanDerWaalsContact C-N 3.3Å; L106-A108 PolarHBondContact O-N 3.04Å; A108-I110 VanDerWaalsContact C-N 3.34Å; A108-I110 PolarHBondContact O-N 3.18Å; A108-M111 PolarHBondContact O-N 3.07Å; A108-W112 VanDerWaalsContact C-CE3 3.46Å; A108-W112 HydrophobicContact CB-CE3 3.96Å; A108-W112 HydrophobicContact CB-CH2 3.86Å; A108-W112 HydrophobicContact CB-CZ3 3.55Å; A108-W112 WeakPolarHBondContact O-CB 3.45Å; A108-W112 PolarHBondContact O-N 2.91Å; A108-F154 HydrophobicContact CB-CE2 3.9Å; A108-Y157 HydrophobicContact CB-CD1 4.26Å; A108-Y157 HydrophobicContact CB-CE1 3.67Å; A108-W158 HydrophobicContact CB-CE3 4.22Å; A108-W158 HydrophobicContact CB-CZ3 3.96Å |
| 109 | R | 98.6 | Very high | 97.5 | Very high | 21 Ų | 21 | 30.8 Ų | 30.8 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.4 | -74.1 | -175.1 | -179.3 | -152 | -6.5 | 112.5 | A41 E89 R105 L106 R113 | A41-R109 PolarHBondContact O-NH1 3.04Å; E89-R109 VanDerWaalsContact CD-NH2 3.28Å; E89-R109 IonicContact OE1-CZ 3.67Å; E89-R109 IonicContact OE1-NE 3.56Å; E89-R109 PolarHBondContact OE1-NE 3.42Å; E89-R109 IonicContact OE1-NH2 2.93Å; E89-R109 PolarHBondContact OE1-NH2 3.4Å; E89-R109 VanDerWaalsContact OE1-NH2 3.09Å; E89-R109 IonicContact OE2-CZ 3.97Å; E89-R109 IonicContact OE2-NE 3.89Å; E89-R109 IonicContact OE2-NH2 2.72Å; E89-R109 PolarHBondContact OE2-NH2 2.97Å; R105-R109 WeakPolarHBondContact O-CG 3.21Å; R105-R109 PolarHBondContact O-N 2.92Å; L106-R109 PolarHBondContact O-N 3.32Å; L106-R109 VanDerWaalsContact O-N 3.14Å; R109-R113 WeakPolarHBondContact O-CB 3.44Å; R109-R113 PolarHBondContact O-N 3.25Å; R109-R113 VanDerWaalsContact O-N 3.08Å |
| 110 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -52.3 | 174.3 | -68.4 | 167.6 | 0 | 0 | 0 | 109.9 | Y39 L106 A107 A108 W112 R113 V114 V129 I173 I177 I197 | Y39-I110 HydrophobicContact CD1-CG1 4.33Å; Y39-I110 HydrophobicContact CE1-CB 4.4Å; Y39-I110 HydrophobicContact CE1-CG1 4.41Å; Y39-I110 HydrophobicContact CE1-CG2 4.03Å; L106-I110 HydrophobicContact CD1-CD1 4.36Å; L106-I110 HydrophobicContact CD1-CG1 4.43Å; L106-I110 HydrophobicContact CG-CD1 4.11Å; L106-I110 WeakPolarHBondContact O-CG1 3.27Å; L106-I110 PolarHBondContact O-N 3.02Å; A107-I110 PolarHBondContact O-N 2.86Å; A108-I110 VanDerWaalsContact C-N 3.34Å; A108-I110 PolarHBondContact O-N 3.18Å; I110-W112 PolarHBondContact O-N 3.46Å; I110-R113 WeakPolarHBondContact O-CB 3.45Å; I110-R113 PolarHBondContact O-N 3.37Å; I110-R113 VanDerWaalsContact O-N 3.11Å; I110-V114 WeakPolarHBondContact O-CG2 3.14Å; I110-V114 PolarHBondContact O-N 3.29Å; I110-V129 HydrophobicContact CG2-CG1 3.94Å; I110-V129 HydrophobicContact CG2-CG2 3.98Å; I110-I173 HydrophobicContact CB-CG2 4.33Å; I110-I173 HydrophobicContact CD1-CG2 4.07Å; I110-I173 HydrophobicContact CG2-CD1 4.11Å; I110-I173 HydrophobicContact CG2-CG2 4.08Å; I110-I177 HydrophobicContact CD1-CD1 4.01Å; I110-I177 HydrophobicContact CD1-CG1 3.88Å; I110-I197 HydrophobicContact CD1-CG1 3.92Å |
| 111 | M | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.1 | -36.6 | -177.6 | -79.5 | 178.7 | -89.3 | 0 | 0 | 113.3 | A107 A108 R113 V114 E115 F154 W158 F165 Y169 I170 I173 | A107-M111 HydrophobicContact CB-CE 3.86Å; A107-M111 VanDerWaalsContact O-CE 3.31Å; A107-M111 WeakPolarHBondContact O-CE 3.4Å; A107-M111 PolarHBondContact O-N 3.2Å; A108-M111 PolarHBondContact O-N 3.07Å; M111-R113 VanDerWaalsContact C-N 3.26Å; M111-R113 PolarHBondContact O-N 3.43Å; M111-V114 PolarHBondContact O-N 2.89Å; M111-E115 WeakPolarHBondContact O-CB 3.16Å; M111-E115 PolarHBondContact O-N 3.35Å; M111-F154 HydrophobicContact CE-CD2 4.12Å; M111-F154 HydrophobicContact CE-CE1 3.82Å; M111-F154 HydrophobicContact CE-CE2 3.29Å; M111-F154 HydrophobicContact CE-CZ 3.11Å; M111-F154 HydrophobicContact SD-CE1 4.11Å; M111-F154 HydrophobicContact SD-CE2 4.34Å; M111-F154 HydrophobicContact SD-CZ 3.59Å; M111-F154 VanDerWaalsContact SD-CZ 3.59Å; M111-W158 HydrophobicContact CB-CH2 3.57Å; M111-W158 HydrophobicContact CB-CZ2 4.25Å; M111-W158 HydrophobicContact CB-CZ3 4.01Å; M111-F165 HydrophobicContact CB-CD2 4.18Å; M111-F165 HydrophobicContact CB-CE2 3.79Å; M111-F165 HydrophobicContact CB-CZ 4.23Å; M111-F165 HydrophobicContact CG-CD2 4.12Å; M111-F165 HydrophobicContact CG-CE2 4.09Å; M111-F165 HydrophobicContact CG-CG 4.43Å; M111-F165 HydrophobicContact CG-CZ 4.38Å; M111-F165 HydrophobicContact SD-CB 4.26Å; M111-F165 HydrophobicContact SD-CD2 3.85Å; M111-F165 HydrophobicContact SD-CE2 4.41Å; M111-F165 HydrophobicContact SD-CG 4.04Å; M111-Y169 HydrophobicContact CG-CE1 4.12Å; M111-Y169 HydrophobicContact SD-CD1 4.44Å; M111-I170 HydrophobicContact CE-CG1 4.5Å; M111-I170 HydrophobicContact CE-CG2 4.42Å; M111-I170 HydrophobicContact SD-CG1 4.04Å; M111-I173 HydrophobicContact CE-CG2 4.4Å |
| 112 | W | 98.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -31.7 | 172 | -79.4 | -42.6 | 0 | 0 | 0 | 112.5 | N88 E89 A92 A108 I110 R116 Y157 W158 P159 S162 | N88-W112 HydrophobicContact CB-CD2 3.58Å; N88-W112 HydrophobicContact CB-CE3 4.01Å; N88-W112 HydrophobicContact CB-CG 3.92Å; N88-W112 HydrophobicContact CB-CH2 4.41Å; N88-W112 HydrophobicContact CB-CZ2 4Å; N88-W112 HydrophobicContact CB-CZ3 4.42Å; E89-W112 HydrophobicContact CB-CH2 4.27Å; E89-W112 HydrophobicContact CB-CZ3 3.8Å; A92-W112 HydrophobicContact CB-CH2 3.74Å; A92-W112 HydrophobicContact CB-CZ2 3.87Å; A108-W112 VanDerWaalsContact C-CE3 3.46Å; A108-W112 HydrophobicContact CB-CE3 3.96Å; A108-W112 HydrophobicContact CB-CH2 3.86Å; A108-W112 HydrophobicContact CB-CZ3 3.55Å; A108-W112 WeakPolarHBondContact O-CB 3.45Å; A108-W112 PolarHBondContact O-N 2.91Å; I110-W112 PolarHBondContact O-N 3.46Å; W112-R116 VanDerWaalsContact O-CB 3.24Å; W112-R116 WeakPolarHBondContact O-CB 3.5Å; W112-R116 PolarHBondContact O-N 2.94Å; W112-Y157 AromaticContact CH2-CE1 3.91Å; W112-Y157 HydrophobicContact CH2-CE1 3.91Å; W112-Y157 AromaticContact CH2-CZ 3.93Å; W112-Y157 HydrophobicContact CZ3-CE1 4.5Å; W112-W158 AromaticContact CD1-CH2 3.37Å; W112-W158 AromaticContact CD1-CZ3 3.83Å; W112-W158 HydrophobicContact CD2-CH2 4.15Å; W112-W158 AromaticContact CD2-CZ3 3.85Å; W112-W158 HydrophobicContact CD2-CZ3 3.85Å; W112-W158 AromaticContact CE2-CH2 3.93Å; W112-W158 AromaticContact CE2-CZ3 3.53Å; W112-W158 AromaticContact CG-CH2 3.82Å; W112-W158 HydrophobicContact CG-CH2 3.82Å; W112-W158 HydrophobicContact CG-CZ3 4.03Å; W112-W158 HydrophobicContact CZ2-CE3 4.23Å; W112-W158 AromaticContact CZ2-CZ3 3.99Å; W112-W158 HydrophobicContact CZ2-CZ3 3.99Å; W112-W158 AromaticContact NE1-CH2 3.44Å; W112-W158 AromaticContact NE1-CZ3 3.53Å; W112-P159 HydrophobicContact CZ2-CG 3.84Å; W112-S162 PolarHBondContact NE1-OG 2.91Å; W112-S162 VanDerWaalsContact NE1-OG 3.13Å |
| 113 | R | 97.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.9 | -44.7 | 173.5 | 177.2 | 161.5 | -175.9 | 175.6 | -7.8 | 111.3 | Y39 R109 I110 M111 E115 R116 E117 T122 | Y39-R113 VanDerWaalsContact CA-NH1 3.3Å; Y39-R113 HydrophobicContact CE1-CB 4.09Å; Y39-R113 HydrophobicContact CE1-CG 3.91Å; Y39-R113 HydrophobicContact CE2-CG 4.21Å; Y39-R113 VanDerWaalsContact O-CD 3.32Å; Y39-R113 WeakPolarHBondContact O-CD 3.33Å; Y39-R113 PolarHBondContact O-NH1 3.46Å; R109-R113 WeakPolarHBondContact O-CB 3.44Å; R109-R113 PolarHBondContact O-N 3.25Å; R109-R113 VanDerWaalsContact O-N 3.08Å; I110-R113 WeakPolarHBondContact O-CB 3.45Å; I110-R113 PolarHBondContact O-N 3.37Å; I110-R113 VanDerWaalsContact O-N 3.11Å; M111-R113 VanDerWaalsContact C-N 3.26Å; M111-R113 PolarHBondContact O-N 3.43Å; R113-E115 PolarHBondContact O-N 2.84Å; R113-R116 VanDerWaalsContact CG-NH2 3.32Å; R113-R116 PolarHBondContact O-N 3.37Å; R113-E117 VanDerWaalsContact CG-OE1 3.3Å; R113-E117 WeakPolarHBondContact CG-OE1 3.43Å; R113-E117 IonicContact CZ-OE1 2.78Å; R113-E117 IonicContact NE-OE1 3.85Å; R113-E117 PolarHBondContact NE-OE1 2.98Å; R113-E117 IonicContact NE-OE2 3.65Å; R113-E117 PolarHBondContact NE-OE2 3.48Å; R113-E117 IonicContact NH2-OE1 3.42Å; R113-E117 IonicContact NH2-OE2 2.87Å; R113-E117 WeakPolarHBondContact O-CB 3.47Å; R113-E117 PolarHBondContact O-N 3.21Å; R113-T122 PolarHBondContact NH2-OG1 2.98Å |
| 114 | V | 97.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | Y39 I110 M111 R116 E117 G118 T119 V129 F165 | Y39-V114 WeakPolarHBondContact OH-CG2 3.38Å; I110-V114 WeakPolarHBondContact O-CG2 3.14Å; I110-V114 PolarHBondContact O-N 3.29Å; M111-V114 PolarHBondContact O-N 2.89Å; V114-R116 PolarHBondContact O-N 3.26Å; V114-E117 PolarHBondContact O-N 3.5Å; V114-G118 WeakPolarHBondContact O-CA 3.29Å; V114-G118 PolarHBondContact O-N 2.96Å; V114-T119 PolarHBondContact O-N 3.44Å; V114-V129 HydrophobicContact CG2-CG1 4.08Å; V114-F165 HydrophobicContact CB-CZ 4.49Å; V114-F165 HydrophobicContact CG1-CE1 4.13Å; V114-F165 HydrophobicContact CG1-CZ 4.3Å |
| 115 | E | 97.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 38 Ų | 38 | 27% | 0.271 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 175.5 | 173.9 | 179.8 | -168.6 | 0 | 0 | 111.7 | M111 R113 S162 Q163 | M111-E115 WeakPolarHBondContact O-CB 3.16Å; M111-E115 PolarHBondContact O-N 3.35Å; R113-E115 PolarHBondContact O-N 2.84Å; E115-S162 WeakPolarHBondContact OE1-CA 3.23Å; E115-S162 WeakPolarHBondContact OE2-CB 3.39Å; E115-S162 PolarHBondContact OE2-OG 3.4Å; E115-S162 VanDerWaalsContact OE2-OG 3.12Å; E115-Q163 HydrophobicContact CB-CB 4.14Å; E115-Q163 VanDerWaalsContact CD-N 3.32Å; E115-Q163 HydrophobicContact CG-CB 3.79Å; E115-Q163 PolarHBondContact OE1-N 2.96Å |
| 116 | R | 96.1 | Very high | 94.9 | Very high | 98 Ų | 98 | 41.2 Ų | 41.2 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.7 | -38.3 | -178 | -178.8 | -176.4 | 65 | -129.7 | -0.7 | 113 | N85 W112 R113 V114 | N85-R116 PolarHBondContact OD1-NH1 3.42Å; W112-R116 VanDerWaalsContact O-CB 3.24Å; W112-R116 WeakPolarHBondContact O-CB 3.5Å; W112-R116 PolarHBondContact O-N 2.94Å; R113-R116 VanDerWaalsContact CG-NH2 3.32Å; R113-R116 PolarHBondContact O-N 3.37Å; V114-R116 PolarHBondContact O-N 3.26Å |
| 117 | E | 95.5 | Very high | 94.8 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 33% | 0.332 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -92.5 | -13.1 | -176.7 | -71.6 | 168 | -146.5 | 0 | 0 | 112.3 | R113 V114 T119 T122 | R113-E117 VanDerWaalsContact CG-OE1 3.3Å; R113-E117 WeakPolarHBondContact CG-OE1 3.43Å; R113-E117 IonicContact CZ-OE1 2.78Å; R113-E117 IonicContact NE-OE1 3.85Å; R113-E117 PolarHBondContact NE-OE1 2.98Å; R113-E117 IonicContact NE-OE2 3.65Å; R113-E117 PolarHBondContact NE-OE2 3.48Å; R113-E117 IonicContact NH2-OE1 3.42Å; R113-E117 IonicContact NH2-OE2 2.87Å; R113-E117 WeakPolarHBondContact O-CB 3.47Å; R113-E117 PolarHBondContact O-N 3.21Å; V114-E117 PolarHBondContact O-N 3.5Å; E117-T119 PolarHBondContact O-N 3.47Å; E117-T122 PolarHBondContact OE2-OG1 3.36Å |
| 118 | G | 95.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 68% | 0.68 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V114 | V114-G118 WeakPolarHBondContact O-CA 3.29Å; V114-G118 PolarHBondContact O-N 2.96Å |
| 119 | T | 95.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 40% | 0.399 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -157.9 | 152.8 | -177.3 | 179 | 0 | 0 | 0 | 0 | 110.4 | V114 E117 L121 | V114-T119 PolarHBondContact O-N 3.44Å; E117-T119 PolarHBondContact O-N 3.47Å; T119-L121 VanDerWaalsContact C-N 3.29Å; T119-L121 VanDerWaalsContact CG2-O 3.26Å; T119-L121 WeakPolarHBondContact CG2-O 3.49Å; T119-L121 PolarHBondContact OG1-N 2.6Å; T119-L121 VanDerWaalsContact OG1-N 3.11Å |
| 120 | G | 91 | Very high | 94.5 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -80.2 | -7.9 | 169 | 0 | 0 | 0 | 0 | 0 | 114.1 | S128 V129 | G120-S128 WeakPolarHBondContact O-CA 3.49Å; G120-V129 PolarHBondContact O-N 3.42Å |
| 121 | L | 93 | Very high | 94.4 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 45% | 0.445 | 26% | 0.263 | S | S | . | . | trans | -96.3 | 108.6 | 178.9 | -175.2 | 67.4 | 0 | 0 | 0 | 110.8 | T119 C125 | T119-L121 VanDerWaalsContact C-N 3.29Å; T119-L121 VanDerWaalsContact CG2-O 3.26Å; T119-L121 WeakPolarHBondContact CG2-O 3.49Å; T119-L121 PolarHBondContact OG1-N 2.6Å; T119-L121 VanDerWaalsContact OG1-N 3.11Å; L121-C125 HydrophobicContact CD1-CB 4.13Å | ||
| 122 | T | 86.1 | Confident | 94.3 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | trans | -88.8 | 151.1 | 172 | -57.1 | 0 | 0 | 0 | 0 | 111 | Y39 R113 E117 G124 C125 | Y39-T122 WeakPolarHBondContact CE2-OG1 3.41Å; R113-T122 PolarHBondContact NH2-OG1 2.98Å; E117-T122 PolarHBondContact OE2-OG1 3.36Å; T122-G124 PolarHBondContact O-N 3.43Å; T122-C125 VanDerWaalsContact O-CB 3.28Å; T122-C125 WeakPolarHBondContact O-CB 3.26Å; T122-C125 PolarHBondContact O-N 3.4Å | ||
| 123 | E | 85.8 | Confident | 94.2 | Very high | 193 Ų | 193 | 52.1 Ų | 52.1 | 90% | 0.902 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | 130.1 | 165.8 | -171.3 | -176.8 | 174.5 | 0 | 0 | 112.3 | C125 | E123-C125 VanDerWaalsContact C-N 3.33Š|
| 124 | G | 86.6 | Confident | 94 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 2.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G4 M6 T122 N200 | G4-G124 WeakPolarHBondContact O-CA 3.35Å; M6-G124 WeakPolarHBondContact CG-O 3.31Å; T122-G124 PolarHBondContact O-N 3.43Å; G124-N200 PolarHBondContact O-ND2 3.41Å |
| 125 | C | 91.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 53.2 Ų | 53.2 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | trans | -94.5 | 136.7 | 170.9 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | L121 T122 E123 V127 N200 | L121-C125 HydrophobicContact CD1-CB 4.13Å; T122-C125 VanDerWaalsContact O-CB 3.28Å; T122-C125 WeakPolarHBondContact O-CB 3.26Å; T122-C125 PolarHBondContact O-N 3.4Å; E123-C125 VanDerWaalsContact C-N 3.33Å; C125-V127 VanDerWaalsContact C-N 3.32Å; C125-V127 WeakPolarHBondContact CB-O 3.39Å; C125-N200 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 126 | L | 95.2 | Very high | 93.4 | Very high | 67 Ų | 67 | 52 Ų | 52 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -84.4 | -10.6 | 173.9 | -63.1 | 174.5 | 0 | 0 | 0 | 112.7 | M6 V9 V11 L21 N200 L203 | M6-L126 HydrophobicContact CB-CD1 4.06Å; M6-L126 HydrophobicContact CB-CD2 4.07Å; M6-L126 HydrophobicContact CB-CG 4.09Å; M6-L126 HydrophobicContact CG-CD1 4.2Å; M6-L126 HydrophobicContact CG-CD2 4.49Å; M6-L126 HydrophobicContact CG-CG 4.07Å; V9-L126 HydrophobicContact CG2-CD1 4.03Å; V11-L126 HydrophobicContact CG2-CB 3.77Å; V11-L126 HydrophobicContact CG2-CD1 3.91Å; V11-L126 HydrophobicContact CG2-CG 4.28Å; L21-L126 HydrophobicContact CD2-CD1 3.74Å; L126-N200 WeakPolarHBondContact CB-OD1 3.33Å; L126-N200 WeakPolarHBondContact CG-OD1 3.35Å; L126-N200 PolarHBondContact N-OD1 3.12Å; L126-L203 HydrophobicContact CB-CD1 3.68Å; L126-L203 HydrophobicContact CD1-CD1 4.35Å |
| 127 | V | 96.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -148.9 | 144.1 | -178.3 | 67.2 | 0 | 0 | 0 | 0 | 109 | R19 C125 D131 L132 P199 L203 | R19-V127 VanDerWaalsContact NH1-CG2 3.28Å; C125-V127 VanDerWaalsContact C-N 3.32Å; C125-V127 WeakPolarHBondContact CB-O 3.39Å; V127-D131 HydrophobicContact CG2-CB 3.58Å; V127-L132 HydrophobicContact CG1-CD2 3.81Å; V127-L132 HydrophobicContact CG1-CG 4.43Å; V127-P199 HydrophobicContact CG1-CB 3.99Å; V127-P199 WeakPolarHBondContact CG1-O 3.24Å; V127-L203 HydrophobicContact CB-CD1 4.09Å; V127-L203 HydrophobicContact CB-CD2 4.11Å; V127-L203 HydrophobicContact CB-CG 4.39Å; V127-L203 HydrophobicContact CG1-CD1 3.84Å; V127-L203 HydrophobicContact CG1-CD2 4.01Å; V127-L203 HydrophobicContact CG1-CG 3.89Å; V127-L203 HydrophobicContact CG2-CD2 4.38Å |
| 128 | S | 96.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 58 Ų | 58 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | trans | -72.1 | 155.2 | 169.3 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | G120 D130 D131 L132 | G120-S128 WeakPolarHBondContact O-CA 3.49Å; S128-D130 WeakPolarHBondContact CB-OD1 3.4Å; S128-D130 PolarHBondContact O-N 3.18Å; S128-D130 PolarHBondContact OG-OD1 2.68Å; S128-D131 PolarHBondContact O-N 3.02Å; S128-D131 VanDerWaalsContact O-N 3.07Å; S128-D131 WeakPolarHBondContact OG-CB 3.48Å; S128-D131 PolarHBondContact OG-N 2.78Å; S128-D131 VanDerWaalsContact OG-N 3.14Å; S128-D131 PolarHBondContact OG-OD2 3.34Å; S128-L132 PolarHBondContact O-N 2.81Å | ||
| 129 | V | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61.3 | -31.2 | 177.2 | 70.4 | 0 | 0 | 0 | 0 | 112.4 | Y39 I110 V114 G120 L132 I197 | Y39-V129 HydrophobicContact CD1-CB 4.36Å; Y39-V129 HydrophobicContact CD1-CG2 4.13Å; Y39-V129 HydrophobicContact CE1-CB 4.08Å; Y39-V129 HydrophobicContact CE1-CG1 3.9Å; Y39-V129 HydrophobicContact CE1-CG2 4.15Å; Y39-V129 HydrophobicContact CE2-CB 4.36Å; Y39-V129 HydrophobicContact CE2-CG1 4.44Å; I110-V129 HydrophobicContact CG2-CG1 3.94Å; I110-V129 HydrophobicContact CG2-CG2 3.98Å; V114-V129 HydrophobicContact CG2-CG1 4.08Å; G120-V129 PolarHBondContact O-N 3.42Å; V129-L132 HydrophobicContact CG2-CD1 4.31Å; V129-I197 HydrophobicContact CG2-CG2 4Å |
| 130 | D | 94.8 | Very high | 92.7 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -81.3 | -12.8 | 176.8 | 47.3 | 46.8 | 0 | 0 | 0 | 113.4 | S128 Y169 H172 I173 | S128-D130 WeakPolarHBondContact CB-OD1 3.4Å; S128-D130 PolarHBondContact O-N 3.18Å; S128-D130 PolarHBondContact OG-OD1 2.68Å; D130-Y169 HydrophobicContact CB-CE2 3.86Å; D130-Y169 PolarHBondContact OD2-OH 3.22Å; D130-H172 PolarHBondContact O-CE1 2.93Å; D130-H172 VanDerWaalsContact O-CE1 3.31Å; D130-H172 PolarHBondContact O-NE2 3.16Å; D130-I173 HydrophobicContact CB-CD1 4.5Å |
| 131 | D | 96.9 | Very high | 92.8 | Very high | 100 Ų | 100 | 61.8 Ų | 61.8 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -93.9 | 1.3 | 170.7 | -79.3 | -19.2 | 0 | 0 | 0 | 112.7 | R19 V127 S128 | R19-D131 VanDerWaalsContact CZ-O 3.23Å; R19-D131 PolarHBondContact NH1-O 3.31Å; R19-D131 PolarHBondContact NH2-O 3.39Å; V127-D131 HydrophobicContact CG2-CB 3.58Å; S128-D131 PolarHBondContact O-N 3.02Å; S128-D131 VanDerWaalsContact O-N 3.07Å; S128-D131 WeakPolarHBondContact OG-CB 3.48Å; S128-D131 PolarHBondContact OG-N 2.78Å; S128-D131 VanDerWaalsContact OG-N 3.14Å; S128-D131 PolarHBondContact OG-OD2 3.34Å |
| 132 | L | 97.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -63.6 | 150.4 | 172.7 | -75.1 | 173.8 | 0 | 0 | 0 | 111.2 | V127 S128 V129 N134 V176 N180 I197 | V127-L132 HydrophobicContact CG1-CD2 3.81Å; V127-L132 HydrophobicContact CG1-CG 4.43Å; S128-L132 PolarHBondContact O-N 2.81Å; V129-L132 HydrophobicContact CG2-CD1 4.31Å; L132-N134 PolarHBondContact O-N 3.45Å; L132-V176 HydrophobicContact CB-CG1 3.73Å; L132-V176 HydrophobicContact CB-CG2 4.13Å; L132-V176 HydrophobicContact CD1-CG1 3.77Å; L132-V176 HydrophobicContact CG-CG1 4.4Å; L132-N180 HydrophobicContact CD1-CB 4.27Å; L132-I197 HydrophobicContact CD1-CG2 3.93Å |
| 133 | Q | 95.4 | Very high | 93.2 | Very high | 96 Ų | 96 | 67.2 Ų | 67.2 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | trans | -61.8 | 132.5 | -178.7 | -172 | 65.8 | 38.8 | 0 | 0 | 110 | H135 N180 | Q133-H135 WeakPolarHBondContact CG-NE2 3.39Å; Q133-N180 PolarHBondContact O-ND2 2.93Å | ||
| 134 | N | 93.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | trans | -120.8 | 163.1 | 163.7 | 89.6 | 32.6 | 0 | 0 | 0 | 109 | L132 V136 H172 V176 | L132-N134 PolarHBondContact O-N 3.45Å; N134-V136 HydrophobicContact CB-CG2 4.32Å; N134-V136 PolarHBondContact OD1-N 3.42Å; N134-H172 PolarHBondContact ND2-CE1 2.88Å; N134-H172 VanDerWaalsContact ND2-CE1 3.34Å; N134-H172 PolarHBondContact ND2-ND1 3.23Å; N134-V176 HydrophobicContact CB-CG2 4.33Å | ||
| 135 | H | 91.8 | Very high | 94 | Very high | 38 Ų | 38 | 66.7 Ų | 66.7 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | trans | -129.3 | 32 | 173.2 | -68.7 | -69.8 | 0 | 0 | 0 | 112 | Q133 E137 H138 F139 Y271 | Q133-H135 WeakPolarHBondContact CG-NE2 3.39Å; H135-E137 PolarHBondContact O-N 3.33Å; H135-E137 VanDerWaalsContact O-N 3.11Å; H135-H138 HydrophobicContact CB-CB 4.45Å; H135-H138 WeakPolarHBondContact O-CA 3.25Å; H135-H138 PolarHBondContact O-N 3.25Å; H135-F139 WeakPolarHBondContact O-CD1 3.5Å; H135-F139 PolarHBondContact O-N 2.88Å; H135-Y271 HydrophobicContact CB-CD1 4.42Å; H135-Y271 HydrophobicContact CB-CD2 3.36Å; H135-Y271 HydrophobicContact CB-CE2 3.76Å; H135-Y271 HydrophobicContact CB-CG 3.74Å; H135-Y271 AromaticContact CD2-CD2 3.83Å; H135-Y271 AromaticContact CG-CD2 3.67Å; H135-Y271 AromaticContact CG-CG 3.91Å | ||
| 136 | V | 90.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 71.6 Ų | 71.6 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -56.4 | -33.7 | -176.6 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | N134 H138 F139 L147 G175 | N134-V136 HydrophobicContact CB-CG2 4.32Å; N134-V136 PolarHBondContact OD1-N 3.42Å; V136-H138 PolarHBondContact O-N 2.96Å; V136-F139 HydrophobicContact CG2-CE2 4.5Å; V136-F139 HydrophobicContact CG2-CZ 4.34Å; V136-F139 WeakPolarHBondContact O-CB 3.34Å; V136-F139 PolarHBondContact O-N 3.29Å; V136-L147 HydrophobicContact CG1-CD2 3.73Å; V136-G175 VanDerWaalsContact CG2-CA 3.47Å |
| 137 | E | 90.2 | Very high | 94.1 | Very high | 174 Ų | 174 | 69.1 Ų | 69.1 | 81% | 0.813 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -64.6 | -21.6 | 176.8 | -60.4 | -175.6 | 166.8 | 0 | 0 | 113.8 | H135 | H135-E137 PolarHBondContact O-N 3.33Å; H135-E137 VanDerWaalsContact O-N 3.11Å |
| 138 | H | 92 | Very high | 94.1 | Very high | 121 Ų | 121 | 75.6 Ų | 75.6 | 56% | 0.56 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -100.4 | -2.2 | -179.3 | -62.3 | 76.7 | 0 | 0 | 0 | 113 | H135 V136 G140 Y271 | H135-H138 HydrophobicContact CB-CB 4.45Å; H135-H138 WeakPolarHBondContact O-CA 3.25Å; H135-H138 PolarHBondContact O-N 3.25Å; V136-H138 PolarHBondContact O-N 2.96Å; H138-G140 PolarHBondContact O-N 3.11Å; H138-Y271 HydrophobicContact CB-CD1 3.44Å; H138-Y271 VanDerWaalsContact CB-CD1 3.44Å; H138-Y271 HydrophobicContact CB-CE1 3.63Å; H138-Y271 HydrophobicContact CB-CG 4.2Å; H138-Y271 WeakPolarHBondContact O-CE1 3.38Å |
| 139 | F | 92.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 79.1 Ų | 79.1 | 4% | 0.035 | 38% | 0.384 | C | S | . | . | trans | -60.5 | 133.6 | -179.6 | -79.8 | 18.8 | 0 | 0 | 0 | 110.4 | H135 V136 E143 Q144 L147 N178 Y271 | H135-F139 WeakPolarHBondContact O-CD1 3.5Å; H135-F139 PolarHBondContact O-N 2.88Å; V136-F139 HydrophobicContact CG2-CE2 4.5Å; V136-F139 HydrophobicContact CG2-CZ 4.34Å; V136-F139 WeakPolarHBondContact O-CB 3.34Å; V136-F139 PolarHBondContact O-N 3.29Å; F139-E143 HydrophobicContact CB-CB 3.8Å; F139-E143 HydrophobicContact CD2-CB 3.75Å; F139-E143 HydrophobicContact CG-CB 3.87Å; F139-Q144 HydrophobicContact CB-CG 3.73Å; F139-Q144 PolarHBondContact O-NE2 2.95Å; F139-L147 HydrophobicContact CD2-CD2 4.29Å; F139-L147 HydrophobicContact CE2-CD2 4.3Å; F139-N178 HydrophobicContact CZ-CB 4.18Å; F139-Y271 HydrophobicContact CD1-CE2 4.35Å; F139-Y271 AromaticContact CD1-CZ 3.83Å; F139-Y271 WeakPolarHBondContact CD1-OH 3.44Å; F139-Y271 HydrophobicContact CE1-CE2 4.18Å | ||
| 140 | G | 92.6 | Very high | 94.2 | Very high | 34 Ų | 34 | 80.1 Ų | 80.1 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | trans | -66.3 | 170.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H138 E142 E143 Q144 | H138-G140 PolarHBondContact O-N 3.11Å; G140-E142 VanDerWaalsContact C-N 3.26Å; G140-E142 PolarHBondContact O-N 2.94Å; G140-E143 PolarHBondContact N-OE2 3.09Å; G140-E143 PolarHBondContact O-N 3.29Å; G140-Q144 WeakPolarHBondContact O-CG 3.34Å; G140-Q144 PolarHBondContact O-N 3.24Å | ||
| 141 | E | 94.4 | Very high | 94.3 | Very high | 171 Ų | 171 | 78.7 Ų | 78.7 | 80% | 0.799 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57.5 | -38 | -178 | -64.9 | -171.7 | 161.8 | 0 | 0 | 113.3 | K145 | E141-K145 WeakPolarHBondContact O-CB 3.43Å; E141-K145 PolarHBondContact O-N 3.36Å |
| 142 | E | 93.5 | Very high | 94.3 | Very high | 159 Ų | 159 | 78.1 Ų | 78.1 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.2 | -49.5 | 177.3 | -65.5 | -174.8 | 160.5 | 0 | 0 | 111.3 | G140 Q144 K145 E146 | G140-E142 VanDerWaalsContact C-N 3.26Å; G140-E142 PolarHBondContact O-N 2.94Å; E142-Q144 VanDerWaalsContact C-N 3.34Å; E142-Q144 PolarHBondContact O-N 2.73Å; E142-K145 WeakPolarHBondContact O-CA 3.49Å; E142-K145 WeakPolarHBondContact O-CB 3.36Å; E142-K145 PolarHBondContact O-N 3.38Å; E142-E146 WeakPolarHBondContact O-CG 3.33Å; E142-E146 PolarHBondContact O-N 2.94Å |
| 143 | E | 93 | Very high | 94.4 | Very high | 67 Ų | 67 | 79.3 Ų | 79.3 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 178 | -70.4 | 174.4 | 112.5 | 0 | 0 | 111.8 | F139 G140 K145 E146 L147 Y271 | F139-E143 HydrophobicContact CB-CB 3.8Å; F139-E143 HydrophobicContact CD2-CB 3.75Å; F139-E143 HydrophobicContact CG-CB 3.87Å; G140-E143 PolarHBondContact N-OE2 3.09Å; G140-E143 PolarHBondContact O-N 3.29Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 3.03Å; E143-E146 PolarHBondContact O-N 2.84Å; E143-L147 VanDerWaalsContact O-CB 3.31Å; E143-L147 WeakPolarHBondContact O-CB 3.48Å; E143-L147 PolarHBondContact O-N 3.06Å; E143-Y271 PolarHBondContact OE1-OH 2.86Å; E143-Y271 PolarHBondContact OE2-OH 3.43Å |
| 144 | Q | 94.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 74.8 Ų | 74.8 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 174.4 | -69 | -178.3 | 7.3 | 0 | 0 | 112 | F139 G140 E142 R148 | F139-Q144 HydrophobicContact CB-CG 3.73Å; F139-Q144 PolarHBondContact O-NE2 2.95Å; G140-Q144 WeakPolarHBondContact O-CG 3.34Å; G140-Q144 PolarHBondContact O-N 3.24Å; E142-Q144 VanDerWaalsContact C-N 3.34Å; E142-Q144 PolarHBondContact O-N 2.73Å; Q144-R148 WeakPolarHBondContact O-CG 3.35Å; Q144-R148 PolarHBondContact O-N 2.98Å; Q144-R148 VanDerWaalsContact O-N 3.08Å; Q144-R148 PolarHBondContact O-NH1 2.87Å |
| 145 | K | 95.6 | Very high | 94.7 | Very high | 139 Ų | 139 | 76.8 Ų | 76.8 | 60% | 0.604 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68 | -45.5 | 175.7 | -177.2 | -175.3 | 174.8 | -173.1 | 0 | 110.9 | E141 E142 E143 R148 V149 | E141-K145 WeakPolarHBondContact O-CB 3.43Å; E141-K145 PolarHBondContact O-N 3.36Å; E142-K145 WeakPolarHBondContact O-CA 3.49Å; E142-K145 WeakPolarHBondContact O-CB 3.36Å; E142-K145 PolarHBondContact O-N 3.38Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 3.03Å; K145-R148 PolarHBondContact O-N 3.35Å; K145-V149 WeakPolarHBondContact O-CG2 3.34Å; K145-V149 PolarHBondContact O-N 2.98Å; K145-V149 VanDerWaalsContact O-N 3.15Å |
| 146 | E | 94.7 | Very high | 95 | Very high | 129 Ų | 129 | 79.7 Ų | 79.7 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.3 | -47 | 175 | -71.2 | 179.9 | 176.4 | 0 | 0 | 111.2 | E142 E143 R148 V149 D150 | E142-E146 WeakPolarHBondContact O-CG 3.33Å; E142-E146 PolarHBondContact O-N 2.94Å; E143-E146 PolarHBondContact O-N 2.84Å; E146-R148 VanDerWaalsContact C-N 3.32Å; E146-R148 PolarHBondContact O-N 3Å; E146-V149 WeakPolarHBondContact O-CB 3.36Å; E146-V149 PolarHBondContact O-N 3.04Å; E146-V149 VanDerWaalsContact O-N 3.08Å; E146-D150 PolarHBondContact O-N 2.8Å |
| 147 | L | 95.3 | Very high | 95.4 | Very high | 16 Ų | 16 | 78.2 Ų | 78.2 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.6 | -43.1 | 175.8 | 178.1 | 61.7 | 0 | 0 | 0 | 112.3 | V136 F139 E143 V149 D150 V151 F174 | V136-L147 HydrophobicContact CG1-CD2 3.73Å; F139-L147 HydrophobicContact CD2-CD2 4.29Å; F139-L147 HydrophobicContact CE2-CD2 4.3Å; E143-L147 VanDerWaalsContact O-CB 3.31Å; E143-L147 WeakPolarHBondContact O-CB 3.48Å; E143-L147 PolarHBondContact O-N 3.06Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 3.05Å; L147-D150 PolarHBondContact O-N 2.95Å; L147-V151 HydrophobicContact CD1-CG2 4.14Å; L147-V151 HydrophobicContact CG-CG2 4.44Å; L147-V151 WeakPolarHBondContact O-CB 3.42Å; L147-V151 VanDerWaalsContact O-CG2 3.23Å; L147-V151 WeakPolarHBondContact O-CG2 3.24Å; L147-V151 PolarHBondContact O-N 3.03Å; L147-F174 HydrophobicContact CD1-CB 3.29Å; L147-F174 HydrophobicContact CD1-CD2 4.13Å; L147-F174 HydrophobicContact CD1-CG 3.82Å |
| 148 | R | 95.9 | Very high | 95.8 | Very high | 144 Ų | 144 | 70.3 Ų | 70.3 | 54% | 0.543 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 176.9 | -76.3 | -175.2 | -64.4 | -92.6 | 2.7 | 112.4 | Q144 K145 E146 D152 | Q144-R148 WeakPolarHBondContact O-CG 3.35Å; Q144-R148 PolarHBondContact O-N 2.98Å; Q144-R148 VanDerWaalsContact O-N 3.08Å; Q144-R148 PolarHBondContact O-NH1 2.87Å; K145-R148 PolarHBondContact O-N 3.35Å; E146-R148 VanDerWaalsContact C-N 3.32Å; E146-R148 PolarHBondContact O-N 3Å; R148-D152 PolarHBondContact O-N 3.49Å |
| 149 | V | 97.3 | Very high | 96 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | K145 E146 L147 D152 T153 | K145-V149 WeakPolarHBondContact O-CG2 3.34Å; K145-V149 PolarHBondContact O-N 2.98Å; K145-V149 VanDerWaalsContact O-N 3.15Å; E146-V149 WeakPolarHBondContact O-CB 3.36Å; E146-V149 PolarHBondContact O-N 3.04Å; E146-V149 VanDerWaalsContact O-N 3.08Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 3.05Å; V149-D152 PolarHBondContact O-N 3.39Å; V149-T153 WeakPolarHBondContact O-CB 3.44Å; V149-T153 PolarHBondContact O-N 3.06Å; V149-T153 PolarHBondContact O-OG1 3.33Å |
| 150 | D | 97.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 177.4 | -83.9 | -11.6 | 0 | 0 | 0 | 112 | N101 I104 E146 L147 T153 F154 F174 | N101-D150 PolarHBondContact ND2-OD1 2.84Å; I104-D150 HydrophobicContact CG1-CB 4.22Å; E146-D150 PolarHBondContact O-N 2.8Å; L147-D150 PolarHBondContact O-N 2.95Å; D150-T153 PolarHBondContact O-N 3.33Å; D150-F154 WeakPolarHBondContact O-CB 3.06Å; D150-F154 PolarHBondContact O-N 2.96Å; D150-F174 HydrophobicContact CB-CD1 4.2Å; D150-F174 HydrophobicContact CB-CE1 3.71Å; D150-F174 HydrophobicContact CB-CE2 4.44Å; D150-F174 HydrophobicContact CB-CZ 3.85Å |
| 151 | V | 97.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L147 F154 L155 M167 I170 F174 | L147-V151 HydrophobicContact CD1-CG2 4.14Å; L147-V151 HydrophobicContact CG-CG2 4.44Å; L147-V151 WeakPolarHBondContact O-CB 3.42Å; L147-V151 VanDerWaalsContact O-CG2 3.23Å; L147-V151 WeakPolarHBondContact O-CG2 3.24Å; L147-V151 PolarHBondContact O-N 3.03Å; V151-F154 WeakPolarHBondContact O-CB 3.41Å; V151-F154 PolarHBondContact O-N 3.36Å; V151-L155 HydrophobicContact CG1-CD1 4.33Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 2.85Å; V151-M167 HydrophobicContact CG1-CE 4.22Å; V151-I170 HydrophobicContact CG1-CG2 4.34Å; V151-I170 HydrophobicContact CG2-CG2 4.17Å; V151-F174 HydrophobicContact CG2-CD2 4.05Å; V151-F174 HydrophobicContact CG2-CE2 4.18Å |
| 152 | D | 97.5 | Very high | 96.5 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.7 | -177 | 74.3 | 0 | 0 | 0 | 111.5 | R148 V149 F154 L155 Q156 | R148-D152 PolarHBondContact O-N 3.49Å; V149-D152 PolarHBondContact O-N 3.39Å; D152-F154 VanDerWaalsContact C-N 3.31Å; D152-F154 PolarHBondContact O-N 2.98Å; D152-L155 PolarHBondContact O-N 3.04Å; D152-Q156 WeakPolarHBondContact O-CG 2.9Å; D152-Q156 PolarHBondContact O-N 2.91Å; D152-Q156 PolarHBondContact OD2-NE2 3.34Å |
| 153 | T | 98.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 177 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | I104 V149 D150 Q156 Y157 | I104-T153 HydrophobicContact CD1-CG2 3.51Å; V149-T153 WeakPolarHBondContact O-CB 3.44Å; V149-T153 PolarHBondContact O-N 3.06Å; V149-T153 PolarHBondContact O-OG1 3.33Å; D150-T153 PolarHBondContact O-N 3.33Å; T153-Q156 PolarHBondContact O-N 2.89Å; T153-Y157 WeakPolarHBondContact O-CB 3.33Å; T153-Y157 PolarHBondContact O-N 3.18Å |
| 154 | F | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 175 | 174.8 | -89.9 | 0 | 0 | 0 | 111.5 | I104 A107 A108 M111 D150 V151 D152 Q156 Y157 W158 I170 F174 | I104-F154 HydrophobicContact CG2-CB 4.17Å; I104-F154 HydrophobicContact CG2-CD2 4.13Å; A107-F154 HydrophobicContact CB-CD2 4.48Å; A108-F154 HydrophobicContact CB-CE2 3.9Å; M111-F154 HydrophobicContact CE-CD2 4.12Å; M111-F154 HydrophobicContact CE-CE1 3.82Å; M111-F154 HydrophobicContact CE-CE2 3.29Å; M111-F154 HydrophobicContact CE-CZ 3.11Å; M111-F154 HydrophobicContact SD-CE1 4.11Å; M111-F154 HydrophobicContact SD-CE2 4.34Å; M111-F154 HydrophobicContact SD-CZ 3.59Å; M111-F154 VanDerWaalsContact SD-CZ 3.59Å; D150-F154 WeakPolarHBondContact O-CB 3.06Å; D150-F154 PolarHBondContact O-N 2.96Å; V151-F154 WeakPolarHBondContact O-CB 3.41Å; V151-F154 PolarHBondContact O-N 3.36Å; D152-F154 VanDerWaalsContact C-N 3.31Å; D152-F154 PolarHBondContact O-N 2.98Å; F154-Q156 VanDerWaalsContact C-N 3.28Å; F154-Q156 PolarHBondContact O-N 3Å; F154-Y157 CarbonylContact O-C 3.47Å; F154-Y157 PolarHBondContact O-N 3.4Å; F154-Y157 VanDerWaalsContact O-N 3.1Å; F154-W158 HydrophobicContact CD1-CB 4.36Å; F154-W158 HydrophobicContact CE1-CB 3.93Å; F154-W158 HydrophobicContact CE1-CD2 4.04Å; F154-W158 HydrophobicContact CE1-CE3 4.18Å; F154-W158 AromaticContact CE1-CG 3.95Å; F154-W158 HydrophobicContact CE1-CG 3.95Å; F154-W158 HydrophobicContact CE2-CD2 4.28Å; F154-W158 AromaticContact CE2-CE3 3.59Å; F154-W158 HydrophobicContact CE2-CE3 3.59Å; F154-W158 HydrophobicContact CE2-CZ3 4.12Å; F154-W158 HydrophobicContact CZ-CB 4.08Å; F154-W158 AromaticContact CZ-CD2 3.51Å; F154-W158 HydrophobicContact CZ-CD2 3.51Å; F154-W158 AromaticContact CZ-CE3 3.23Å; F154-W158 HydrophobicContact CZ-CE3 3.23Å; F154-W158 AromaticContact CZ-CG 3.9Å; F154-W158 HydrophobicContact CZ-CG 3.9Å; F154-W158 AromaticContact CZ-CZ3 3.86Å; F154-W158 HydrophobicContact CZ-CZ3 3.86Å; F154-W158 VanDerWaalsContact O-CB 3.26Å; F154-W158 WeakPolarHBondContact O-CB 3.27Å; F154-W158 PolarHBondContact O-N 3.48Å; F154-I170 HydrophobicContact CD1-CD1 3.99Å; F154-I170 HydrophobicContact CD1-CG1 4.29Å; F154-I170 HydrophobicContact CD1-CG2 3.65Å; F154-I170 HydrophobicContact CE1-CD1 3.75Å; F154-I170 HydrophobicContact CE1-CG1 3.9Å; F154-I170 HydrophobicContact CE1-CG2 4Å; F154-I170 HydrophobicContact CG-CG2 4.19Å; F154-F174 HydrophobicContact CB-CE2 4.19Å; F154-F174 HydrophobicContact CB-CZ 4.17Å; F154-F174 HydrophobicContact CG-CE2 4.41Å |
| 155 | L | 97.8 | Very high | 97.1 | Very high | 76 Ų | 76 | 63.1 Ų | 63.1 | 40% | 0.398 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 179.9 | -70.3 | 172.2 | 0 | 0 | 0 | 112.4 | V151 D152 I170 | V151-L155 HydrophobicContact CG1-CD1 4.33Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 2.85Å; D152-L155 PolarHBondContact O-N 3.04Å; L155-I170 HydrophobicContact CD2-CD1 3.78Å |
| 156 | Q | 97.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.1 | -38.6 | 174.5 | -59.6 | 174.8 | 34.2 | 0 | 0 | 112.1 | R95 Y96 D152 T153 F154 | R95-Q156 PolarHBondContact NH2-O 3.16Å; Y96-Q156 HydrophobicContact CD2-CB 4.36Å; Y96-Q156 HydrophobicContact CE2-CB 3.68Å; D152-Q156 WeakPolarHBondContact O-CG 2.9Å; D152-Q156 PolarHBondContact O-N 2.91Å; D152-Q156 PolarHBondContact OD2-NE2 3.34Å; T153-Q156 PolarHBondContact O-N 2.89Å; F154-Q156 VanDerWaalsContact C-N 3.28Å; F154-Q156 PolarHBondContact O-N 3Å |
| 157 | Y | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.8 | -31.4 | 179.2 | 173.6 | -116.9 | 0 | 0 | 0 | 113.3 | E89 A92 I93 R95 Y96 P100 I104 A108 W112 T153 F154 | E89-Y157 WeakPolarHBondContact CG-OH 3.35Å; A92-Y157 HydrophobicContact CB-CD2 4.29Å; A92-Y157 HydrophobicContact CB-CE2 3.57Å; I93-Y157 HydrophobicContact CG1-CE2 3.89Å; R95-Y157 PolarHBondContact NH2-O 2.84Å; Y96-Y157 AromaticContact CD1-CD2 3.89Å; Y96-Y157 HydrophobicContact CD1-CD2 3.89Å; Y96-Y157 AromaticContact CG-CD2 3.99Å; Y96-Y157 HydrophobicContact CG-CD2 3.99Å; P100-Y157 HydrophobicContact CG-CD1 3.83Å; P100-Y157 HydrophobicContact CG-CD2 3.4Å; P100-Y157 VanDerWaalsContact CG-CD2 3.4Å; P100-Y157 HydrophobicContact CG-CE1 4.1Å; P100-Y157 HydrophobicContact CG-CE2 3.71Å; P100-Y157 HydrophobicContact CG-CG 3.46Å; P100-Y157 VanDerWaalsContact CG-CG 3.46Å; I104-Y157 HydrophobicContact CG2-CD1 3.91Å; A108-Y157 HydrophobicContact CB-CD1 4.26Å; A108-Y157 HydrophobicContact CB-CE1 3.67Å; W112-Y157 AromaticContact CH2-CE1 3.91Å; W112-Y157 HydrophobicContact CH2-CE1 3.91Å; W112-Y157 AromaticContact CH2-CZ 3.93Å; W112-Y157 HydrophobicContact CZ3-CE1 4.5Å; T153-Y157 WeakPolarHBondContact O-CB 3.33Å; T153-Y157 PolarHBondContact O-N 3.18Å; F154-Y157 CarbonylContact O-C 3.47Å; F154-Y157 PolarHBondContact O-N 3.4Å; F154-Y157 VanDerWaalsContact O-N 3.1Å |
| 158 | W | 98.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 65 Ų | 65 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -69.3 | 128.7 | -174.2 | -170.1 | -111.2 | 0 | 0 | 0 | 112.3 | R95 A108 M111 W112 F154 Q163 F165 | R95-W158 PolarHBondContact NH2-O 3.48Å; A108-W158 HydrophobicContact CB-CE3 4.22Å; A108-W158 HydrophobicContact CB-CZ3 3.96Å; M111-W158 HydrophobicContact CB-CH2 3.57Å; M111-W158 HydrophobicContact CB-CZ2 4.25Å; M111-W158 HydrophobicContact CB-CZ3 4.01Å; W112-W158 AromaticContact CD1-CH2 3.37Å; W112-W158 AromaticContact CD1-CZ3 3.83Å; W112-W158 HydrophobicContact CD2-CH2 4.15Å; W112-W158 AromaticContact CD2-CZ3 3.85Å; W112-W158 HydrophobicContact CD2-CZ3 3.85Å; W112-W158 AromaticContact CE2-CH2 3.93Å; W112-W158 AromaticContact CE2-CZ3 3.53Å; W112-W158 AromaticContact CG-CH2 3.82Å; W112-W158 HydrophobicContact CG-CH2 3.82Å; W112-W158 HydrophobicContact CG-CZ3 4.03Å; W112-W158 HydrophobicContact CZ2-CE3 4.23Å; W112-W158 AromaticContact CZ2-CZ3 3.99Å; W112-W158 HydrophobicContact CZ2-CZ3 3.99Å; W112-W158 AromaticContact NE1-CH2 3.44Å; W112-W158 AromaticContact NE1-CZ3 3.53Å; F154-W158 HydrophobicContact CD1-CB 4.36Å; F154-W158 HydrophobicContact CE1-CB 3.93Å; F154-W158 HydrophobicContact CE1-CD2 4.04Å; F154-W158 HydrophobicContact CE1-CE3 4.18Å; F154-W158 AromaticContact CE1-CG 3.95Å; F154-W158 HydrophobicContact CE1-CG 3.95Å; F154-W158 HydrophobicContact CE2-CD2 4.28Å; F154-W158 AromaticContact CE2-CE3 3.59Å; F154-W158 HydrophobicContact CE2-CE3 3.59Å; F154-W158 HydrophobicContact CE2-CZ3 4.12Å; F154-W158 HydrophobicContact CZ-CB 4.08Å; F154-W158 AromaticContact CZ-CD2 3.51Å; F154-W158 HydrophobicContact CZ-CD2 3.51Å; F154-W158 AromaticContact CZ-CE3 3.23Å; F154-W158 HydrophobicContact CZ-CE3 3.23Å; F154-W158 AromaticContact CZ-CG 3.9Å; F154-W158 HydrophobicContact CZ-CG 3.9Å; F154-W158 AromaticContact CZ-CZ3 3.86Å; F154-W158 HydrophobicContact CZ-CZ3 3.86Å; F154-W158 VanDerWaalsContact O-CB 3.26Å; F154-W158 WeakPolarHBondContact O-CB 3.27Å; F154-W158 PolarHBondContact O-N 3.48Å; W158-Q163 PolarHBondContact NE1-O 3.24Å; W158-F165 HydrophobicContact CH2-CE2 4.33Å; W158-F165 HydrophobicContact CZ2-CD2 4.02Å; W158-F165 AromaticContact CZ2-CE2 3.75Å; W158-F165 HydrophobicContact CZ2-CE2 3.75Å |
| 159 | P | 97.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | trans | -68 | 132.5 | -177.3 | -20.5 | 32.9 | 0 | 0 | 0 | 113.5 | A92 W112 Q161 S162 Q164 | A92-P159 HydrophobicContact CB-CG 4.09Å; W112-P159 HydrophobicContact CZ2-CG 3.84Å; P159-Q161 HydrophobicContact CB-CG 4.32Å; P159-Q161 PolarHBondContact O-N 3.15Å; P159-S162 WeakPolarHBondContact O-CB 3.42Å; P159-S162 PolarHBondContact O-N 3.09Å; P159-Q164 PolarHBondContact O-NE2 3.26Å | ||
| 160 | P | 95.8 | Very high | 97.1 | Very high | 94 Ų | 94 | 56.5 Ų | 56.5 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.7 | 176.3 | -27.3 | 31.8 | 0 | 0 | 0 | 113.9 | S162 Q164 | P160-S162 VanDerWaalsContact C-N 3.35Å; P160-Q164 PolarHBondContact O-NE2 3.07Å |
| 161 | Q | 95.8 | Very high | 97 | Very high | 140 Ų | 140 | 57 Ų | 57 | 65% | 0.654 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.2 | 178.2 | 70.4 | -86.2 | 21.5 | 0 | 0 | 114.1 | P159 | P159-Q161 HydrophobicContact CB-CG 4.32Å; P159-Q161 PolarHBondContact O-N 3.15Å |
| 162 | S | 97.4 | Very high | 97 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -78.9 | 161.7 | 173 | -85.8 | 0 | 0 | 0 | 0 | 110.6 | W112 E115 P159 P160 Q164 | W112-S162 PolarHBondContact NE1-OG 2.91Å; W112-S162 VanDerWaalsContact NE1-OG 3.13Å; E115-S162 WeakPolarHBondContact OE1-CA 3.23Å; E115-S162 WeakPolarHBondContact OE2-CB 3.39Å; E115-S162 PolarHBondContact OE2-OG 3.4Å; E115-S162 VanDerWaalsContact OE2-OG 3.12Å; P159-S162 WeakPolarHBondContact O-CB 3.42Å; P159-S162 PolarHBondContact O-N 3.09Å; P160-S162 VanDerWaalsContact C-N 3.35Å; S162-Q164 PolarHBondContact O-N 3.4Å; S162-Q164 PolarHBondContact O-NE2 3.32Å |
| 163 | Q | 97.1 | Very high | 97 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 41% | 0.407 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -49 | 129.3 | 167.6 | 178.5 | 176.1 | -16.1 | 0 | 0 | 110.5 | E115 W158 F165 | E115-Q163 HydrophobicContact CB-CB 4.14Å; E115-Q163 VanDerWaalsContact CD-N 3.32Å; E115-Q163 HydrophobicContact CG-CB 3.79Å; E115-Q163 PolarHBondContact OE1-N 2.96Å; W158-Q163 PolarHBondContact NE1-O 3.24Å; Q163-F165 HydrophobicContact CB-CE2 4.04Å; Q163-F165 HydrophobicContact CB-CZ 4.22Å; Q163-F165 HydrophobicContact CG-CE1 4.29Å; Q163-F165 HydrophobicContact CG-CE2 4Å; Q163-F165 HydrophobicContact CG-CZ 3.88Å; Q163-F165 WeakPolarHBondContact O-CD2 3.48Å; Q163-F165 WeakPolarHBondContact O-CE2 3.3Å |
| 164 | Q | 97.7 | Very high | 97 | Very high | 118 Ų | 118 | 53.3 Ų | 53.3 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 127.5 | 176.2 | -59 | -56.3 | -59 | 0 | 0 | 109.2 | P159 P160 S162 | P159-Q164 PolarHBondContact O-NE2 3.26Å; P160-Q164 PolarHBondContact O-NE2 3.07Å; S162-Q164 PolarHBondContact O-N 3.4Å; S162-Q164 PolarHBondContact O-NE2 3.32Å |
| 165 | F | 97.2 | Very high | 96.9 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | trans | -104.4 | 149.6 | 177.9 | -65.3 | -87.1 | 0 | 0 | 0 | 109.8 | M111 V114 W158 Q163 Y169 I170 | M111-F165 HydrophobicContact CB-CD2 4.18Å; M111-F165 HydrophobicContact CB-CE2 3.79Å; M111-F165 HydrophobicContact CB-CZ 4.23Å; M111-F165 HydrophobicContact CG-CD2 4.12Å; M111-F165 HydrophobicContact CG-CE2 4.09Å; M111-F165 HydrophobicContact CG-CG 4.43Å; M111-F165 HydrophobicContact CG-CZ 4.38Å; M111-F165 HydrophobicContact SD-CB 4.26Å; M111-F165 HydrophobicContact SD-CD2 3.85Å; M111-F165 HydrophobicContact SD-CE2 4.41Å; M111-F165 HydrophobicContact SD-CG 4.04Å; V114-F165 HydrophobicContact CB-CZ 4.49Å; V114-F165 HydrophobicContact CG1-CE1 4.13Å; V114-F165 HydrophobicContact CG1-CZ 4.3Å; W158-F165 HydrophobicContact CH2-CE2 4.33Å; W158-F165 HydrophobicContact CZ2-CD2 4.02Å; W158-F165 AromaticContact CZ2-CE2 3.75Å; W158-F165 HydrophobicContact CZ2-CE2 3.75Å; Q163-F165 HydrophobicContact CB-CE2 4.04Å; Q163-F165 HydrophobicContact CB-CZ 4.22Å; Q163-F165 HydrophobicContact CG-CE1 4.29Å; Q163-F165 HydrophobicContact CG-CE2 4Å; Q163-F165 HydrophobicContact CG-CZ 3.88Å; Q163-F165 WeakPolarHBondContact O-CD2 3.48Å; Q163-F165 WeakPolarHBondContact O-CE2 3.3Å; F165-Y169 HydrophobicContact CB-CD1 4.03Å; F165-Y169 AromaticContact CD1-CD1 3.53Å; F165-Y169 HydrophobicContact CD1-CD1 3.53Å; F165-Y169 AromaticContact CD1-CE1 3.64Å; F165-Y169 HydrophobicContact CD1-CE1 3.64Å; F165-Y169 HydrophobicContact CD1-CG 4.22Å; F165-Y169 HydrophobicContact CE1-CD1 4.31Å; F165-Y169 AromaticContact CE1-CE1 3.94Å; F165-Y169 HydrophobicContact CE1-CE1 3.94Å; F165-Y169 HydrophobicContact CG-CD1 4.01Å; F165-Y169 HydrophobicContact CG-CE1 4.36Å; F165-I170 HydrophobicContact CB-CD1 4.42Å; F165-I170 HydrophobicContact CB-CG1 4.01Å | ||
| 166 | S | 97.3 | Very high | 96.9 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 44% | 0.441 | 25% | 0.251 | S | S | . | . | trans | -66.8 | 153.8 | 175.9 | 67.8 | 0 | 0 | 0 | 0 | 110.7 | Q168 Y169 I170 | S166-Q168 PolarHBondContact O-N 3.24Å; S166-Y169 PolarHBondContact O-N 3.37Å; S166-Y169 VanDerWaalsContact O-N 3.08Å; S166-Y169 WeakPolarHBondContact OG-CB 3.4Å; S166-Y169 PolarHBondContact OG-N 3.39Å; S166-I170 WeakPolarHBondContact O-CG1 3.43Å; S166-I170 PolarHBondContact O-N 2.82Å | ||
| 167 | M | 94.4 | Very high | 96.8 | Very high | 112 Ų | 112 | 45.2 Ų | 45.2 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -57.6 | -35 | 175 | -70.7 | -174.6 | 71.1 | 0 | 0 | 111.9 | V151 I170 S171 | V151-M167 HydrophobicContact CG1-CE 4.22Å; M167-I170 PolarHBondContact O-N 3.43Å; M167-S171 WeakPolarHBondContact O-CB 3.46Å; M167-S171 PolarHBondContact O-N 3.19Å; M167-S171 PolarHBondContact O-OG 3Å; M167-S171 VanDerWaalsContact O-OG 3.09Å |
| 168 | Q | 93.7 | Very high | 96.6 | Very high | 147 Ų | 147 | 47.9 Ų | 47.9 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.3 | -45.4 | 176.3 | -66.1 | 74.9 | 17.5 | 0 | 0 | 111.1 | S166 H172 | S166-Q168 PolarHBondContact O-N 3.24Å; Q168-H172 WeakPolarHBondContact O-CB 3.31Å; Q168-H172 PolarHBondContact O-N 3.01Å |
| 169 | Y | 96.7 | Very high | 96.4 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 18% | 0.184 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 177.8 | -170.8 | -86.6 | 0 | 0 | 0 | 111.8 | M111 D130 F165 S166 H172 I173 | M111-Y169 HydrophobicContact CG-CE1 4.12Å; M111-Y169 HydrophobicContact SD-CD1 4.44Å; D130-Y169 HydrophobicContact CB-CE2 3.86Å; D130-Y169 PolarHBondContact OD2-OH 3.22Å; F165-Y169 HydrophobicContact CB-CD1 4.03Å; F165-Y169 AromaticContact CD1-CD1 3.53Å; F165-Y169 HydrophobicContact CD1-CD1 3.53Å; F165-Y169 AromaticContact CD1-CE1 3.64Å; F165-Y169 HydrophobicContact CD1-CE1 3.64Å; F165-Y169 HydrophobicContact CD1-CG 4.22Å; F165-Y169 HydrophobicContact CE1-CD1 4.31Å; F165-Y169 AromaticContact CE1-CE1 3.94Å; F165-Y169 HydrophobicContact CE1-CE1 3.94Å; F165-Y169 HydrophobicContact CG-CD1 4.01Å; F165-Y169 HydrophobicContact CG-CE1 4.36Å; S166-Y169 PolarHBondContact O-N 3.37Å; S166-Y169 VanDerWaalsContact O-N 3.08Å; S166-Y169 WeakPolarHBondContact OG-CB 3.4Å; S166-Y169 PolarHBondContact OG-N 3.39Å; Y169-H172 WeakPolarHBondContact O-CB 3.25Å; Y169-H172 PolarHBondContact O-N 3.11Å; Y169-I173 HydrophobicContact CD1-CG1 4Å; Y169-I173 HydrophobicContact CE1-CD1 4.02Å; Y169-I173 HydrophobicContact CE1-CG1 3.64Å; Y169-I173 WeakPolarHBondContact O-CG1 3.24Å; Y169-I173 PolarHBondContact O-N 2.78Å |
| 170 | I | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -51.7 | 177.5 | -63.3 | 164.4 | 0 | 0 | 0 | 110.1 | M111 V151 F154 L155 F165 S166 M167 H172 I173 F174 | M111-I170 HydrophobicContact CE-CG1 4.5Å; M111-I170 HydrophobicContact CE-CG2 4.42Å; M111-I170 HydrophobicContact SD-CG1 4.04Å; V151-I170 HydrophobicContact CG1-CG2 4.34Å; V151-I170 HydrophobicContact CG2-CG2 4.17Å; F154-I170 HydrophobicContact CD1-CD1 3.99Å; F154-I170 HydrophobicContact CD1-CG1 4.29Å; F154-I170 HydrophobicContact CD1-CG2 3.65Å; F154-I170 HydrophobicContact CE1-CD1 3.75Å; F154-I170 HydrophobicContact CE1-CG1 3.9Å; F154-I170 HydrophobicContact CE1-CG2 4Å; F154-I170 HydrophobicContact CG-CG2 4.19Å; L155-I170 HydrophobicContact CD2-CD1 3.78Å; F165-I170 HydrophobicContact CB-CD1 4.42Å; F165-I170 HydrophobicContact CB-CG1 4.01Å; S166-I170 WeakPolarHBondContact O-CG1 3.43Å; S166-I170 PolarHBondContact O-N 2.82Å; M167-I170 PolarHBondContact O-N 3.43Å; I170-H172 VanDerWaalsContact C-N 3.26Å; I170-H172 PolarHBondContact O-N 3.28Å; I170-I173 PolarHBondContact O-N 3.48Å; I170-F174 HydrophobicContact CG2-CD2 4.06Å; I170-F174 HydrophobicContact CG2-CE2 3.81Å; I170-F174 VanDerWaalsContact O-CD2 3.3Å; I170-F174 WeakPolarHBondContact O-CD2 3.49Å; I170-F174 PolarHBondContact O-N 2.89Å |
| 171 | S | 96.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -38.4 | 177 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | M167 F174 G175 | M167-S171 WeakPolarHBondContact O-CB 3.46Å; M167-S171 PolarHBondContact O-N 3.19Å; M167-S171 PolarHBondContact O-OG 3Å; M167-S171 VanDerWaalsContact O-OG 3.09Å; S171-F174 PolarHBondContact O-N 2.94Å; S171-G175 PolarHBondContact O-N 3.41Å |
| 172 | H | 96.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 42 Ų | 42 | 22% | 0.218 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 174.9 | 175.7 | 83.4 | 0 | 0 | 0 | 112 | D130 N134 Q168 Y169 I170 F174 G175 V176 | D130-H172 PolarHBondContact O-CE1 2.93Å; D130-H172 VanDerWaalsContact O-CE1 3.31Å; D130-H172 PolarHBondContact O-NE2 3.16Å; N134-H172 PolarHBondContact ND2-CE1 2.88Å; N134-H172 VanDerWaalsContact ND2-CE1 3.34Å; N134-H172 PolarHBondContact ND2-ND1 3.23Å; Q168-H172 WeakPolarHBondContact O-CB 3.31Å; Q168-H172 PolarHBondContact O-N 3.01Å; Y169-H172 WeakPolarHBondContact O-CB 3.25Å; Y169-H172 PolarHBondContact O-N 3.11Å; I170-H172 VanDerWaalsContact C-N 3.26Å; I170-H172 PolarHBondContact O-N 3.28Å; H172-F174 VanDerWaalsContact C-N 3.34Å; H172-F174 PolarHBondContact O-N 3.28Å; H172-G175 WeakPolarHBondContact O-CA 3.44Å; H172-G175 PolarHBondContact O-N 3.38Å; H172-G175 VanDerWaalsContact O-N 3.1Å; H172-V176 WeakPolarHBondContact O-CG2 2.95Å; H172-V176 PolarHBondContact O-N 3.45Å |
| 173 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | 178.5 | -66.7 | -59.3 | 0 | 0 | 0 | 112.1 | A107 I110 M111 D130 Y169 I170 G175 V176 I177 | A107-I173 HydrophobicContact CB-CG2 4.1Å; I110-I173 HydrophobicContact CB-CG2 4.33Å; I110-I173 HydrophobicContact CD1-CG2 4.07Å; I110-I173 HydrophobicContact CG2-CD1 4.11Å; I110-I173 HydrophobicContact CG2-CG2 4.08Å; M111-I173 HydrophobicContact CE-CG2 4.4Å; D130-I173 HydrophobicContact CB-CD1 4.5Å; Y169-I173 HydrophobicContact CD1-CG1 4Å; Y169-I173 HydrophobicContact CE1-CD1 4.02Å; Y169-I173 HydrophobicContact CE1-CG1 3.64Å; Y169-I173 WeakPolarHBondContact O-CG1 3.24Å; Y169-I173 PolarHBondContact O-N 2.78Å; I170-I173 PolarHBondContact O-N 3.48Å; I173-G175 VanDerWaalsContact C-N 3.34Å; I173-V176 WeakPolarHBondContact O-CB 3.14Å; I173-V176 PolarHBondContact O-N 2.89Å; I173-I177 HydrophobicContact CG2-CD1 4.19Å; I173-I177 WeakPolarHBondContact O-CG1 3.24Å; I173-I177 PolarHBondContact O-N 3.31Å |
| 174 | F | 97.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 172.4 | -81.2 | -76.4 | 0 | 0 | 0 | 112.1 | N103 I104 A107 L147 D150 V151 F154 I170 S171 H172 V176 I177 N178 | N103-F174 HydrophobicContact CB-CD1 4.32Å; N103-F174 HydrophobicContact CB-CE1 4.08Å; I104-F174 HydrophobicContact CB-CZ 4.47Å; I104-F174 HydrophobicContact CG1-CE1 4.08Å; I104-F174 HydrophobicContact CG1-CZ 3.91Å; A107-F174 HydrophobicContact CB-CE1 4.07Å; A107-F174 HydrophobicContact CB-CE2 4.17Å; A107-F174 HydrophobicContact CB-CZ 3.88Å; L147-F174 HydrophobicContact CD1-CB 3.29Å; L147-F174 HydrophobicContact CD1-CD2 4.13Å; L147-F174 HydrophobicContact CD1-CG 3.82Å; D150-F174 HydrophobicContact CB-CD1 4.2Å; D150-F174 HydrophobicContact CB-CE1 3.71Å; D150-F174 HydrophobicContact CB-CE2 4.44Å; D150-F174 HydrophobicContact CB-CZ 3.85Å; V151-F174 HydrophobicContact CG2-CD2 4.05Å; V151-F174 HydrophobicContact CG2-CE2 4.18Å; F154-F174 HydrophobicContact CB-CE2 4.19Å; F154-F174 HydrophobicContact CB-CZ 4.17Å; F154-F174 HydrophobicContact CG-CE2 4.41Å; I170-F174 HydrophobicContact CG2-CD2 4.06Å; I170-F174 HydrophobicContact CG2-CE2 3.81Å; I170-F174 VanDerWaalsContact O-CD2 3.3Å; I170-F174 WeakPolarHBondContact O-CD2 3.49Å; I170-F174 PolarHBondContact O-N 2.89Å; S171-F174 PolarHBondContact O-N 2.94Å; H172-F174 VanDerWaalsContact C-N 3.34Å; H172-F174 PolarHBondContact O-N 3.28Å; F174-V176 VanDerWaalsContact C-N 3.34Å; F174-V176 PolarHBondContact O-N 3.46Å; F174-I177 PolarHBondContact O-N 3.35Å; F174-N178 PolarHBondContact O-N 3.2Å |
| 175 | G | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -44.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | V136 S171 H172 I173 I177 N178 C179 | V136-G175 VanDerWaalsContact CG2-CA 3.47Å; S171-G175 PolarHBondContact O-N 3.41Å; H172-G175 WeakPolarHBondContact O-CA 3.44Å; H172-G175 PolarHBondContact O-N 3.38Å; H172-G175 VanDerWaalsContact O-N 3.1Å; I173-G175 VanDerWaalsContact C-N 3.34Å; G175-I177 VanDerWaalsContact C-N 3.32Å; G175-I177 PolarHBondContact O-N 2.86Å; G175-N178 PolarHBondContact O-N 2.94Å; G175-C179 PolarHBondContact O-N 2.62Å; G175-C179 VanDerWaalsContact O-N 3.15Å; G175-C179 PolarHBondContact O-SG 2.87Å; G175-C179 VanDerWaalsContact O-SG 3.41Å |
| 176 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 175.1 | 168 | 0 | 0 | 0 | 0 | 111 | L132 N134 H172 I173 F174 N178 C179 N180 | L132-V176 HydrophobicContact CB-CG1 3.73Å; L132-V176 HydrophobicContact CB-CG2 4.13Å; L132-V176 HydrophobicContact CD1-CG1 3.77Å; L132-V176 HydrophobicContact CG-CG1 4.4Å; N134-V176 HydrophobicContact CB-CG2 4.33Å; H172-V176 WeakPolarHBondContact O-CG2 2.95Å; H172-V176 PolarHBondContact O-N 3.45Å; I173-V176 WeakPolarHBondContact O-CB 3.14Å; I173-V176 PolarHBondContact O-N 2.89Å; F174-V176 VanDerWaalsContact C-N 3.34Å; F174-V176 PolarHBondContact O-N 3.46Å; V176-N178 PolarHBondContact O-N 2.85Å; V176-C179 PolarHBondContact O-N 2.74Å; V176-N180 WeakPolarHBondContact O-CB 3.39Å; V176-N180 PolarHBondContact O-N 2.93Å; V176-N180 PolarHBondContact O-ND2 3.34Å |
| 177 | I | 97 | Very high | 95.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 178.3 | -70.6 | 164.8 | 0 | 0 | 0 | 111.1 | L106 A107 I110 I173 F174 G175 C179 G181 I197 | L106-I177 HydrophobicContact CB-CD1 4.1Å; L106-I177 HydrophobicContact CD2-CD1 4.18Å; L106-I177 HydrophobicContact CD2-CG1 3.96Å; L106-I177 HydrophobicContact CD2-CG2 3.84Å; L106-I177 HydrophobicContact CG-CD1 3.93Å; L106-I177 HydrophobicContact CG-CG1 4.13Å; A107-I177 HydrophobicContact CB-CD1 3.78Å; I110-I177 HydrophobicContact CD1-CD1 4.01Å; I110-I177 HydrophobicContact CD1-CG1 3.88Å; I173-I177 HydrophobicContact CG2-CD1 4.19Å; I173-I177 WeakPolarHBondContact O-CG1 3.24Å; I173-I177 PolarHBondContact O-N 3.31Å; F174-I177 PolarHBondContact O-N 3.35Å; G175-I177 VanDerWaalsContact C-N 3.32Å; G175-I177 PolarHBondContact O-N 2.86Å; I177-C179 VanDerWaalsContact C-N 3.29Å; I177-C179 PolarHBondContact O-N 3.37Å; I177-G181 WeakPolarHBondContact O-CA 3.48Å; I177-G181 PolarHBondContact O-N 3.39Å; I177-I197 HydrophobicContact CG1-CD1 4.44Å |
| 178 | N | 93.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 37 Ų | 37 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65 | -32.4 | -177.9 | -74.1 | -15.4 | 0 | 0 | 0 | 113.1 | F139 F174 G175 V176 Q269 | F139-N178 HydrophobicContact CZ-CB 4.18Å; F174-N178 PolarHBondContact O-N 3.2Å; G175-N178 PolarHBondContact O-N 2.94Å; V176-N178 PolarHBondContact O-N 2.85Å; N178-Q269 PolarHBondContact O-NE2 3.17Å |
| 179 | C | 93.3 | Very high | 94.7 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 10% | 0.101 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -93.6 | -21.2 | -177.2 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | G175 V176 I177 | G175-C179 PolarHBondContact O-N 2.62Å; G175-C179 VanDerWaalsContact O-N 3.15Å; G175-C179 PolarHBondContact O-SG 2.87Å; G175-C179 VanDerWaalsContact O-SG 3.41Å; V176-C179 PolarHBondContact O-N 2.74Å; I177-C179 VanDerWaalsContact C-N 3.29Å; I177-C179 PolarHBondContact O-N 3.37Å |
| 180 | N | 96.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 33.6 Ų | 33.6 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -127.6 | 3 | -171.1 | -53.4 | -95.1 | 0 | 0 | 0 | 113.8 | L132 Q133 V176 F182 I197 | L132-N180 HydrophobicContact CD1-CB 4.27Å; Q133-N180 PolarHBondContact O-ND2 2.93Å; V176-N180 WeakPolarHBondContact O-CB 3.39Å; V176-N180 PolarHBondContact O-N 2.93Å; V176-N180 PolarHBondContact O-ND2 3.34Å; N180-F182 PolarHBondContact O-N 2.82Å; N180-I197 HydrophobicContact CB-CD1 4.41Å |
| 181 | G | 96.8 | Very high | 93.2 | Very high | 28 Ų | 28 | 37 Ų | 37 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 121.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I177 | I177-G181 WeakPolarHBondContact O-CA 3.48Å; I177-G181 PolarHBondContact O-N 3.39Å |
| 182 | F | 96.7 | Very high | 93.1 | Very high | 51 Ų | 51 | 37.7 Ų | 37.7 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.4 | 173.8 | -175.4 | -93.9 | 0 | 0 | 0 | 110.4 | N180 L184 V195 G196 F198 L201 V214 F216 I234 | N180-F182 PolarHBondContact O-N 2.82Å; F182-L184 HydrophobicContact CD1-CD2 4.01Å; F182-L184 HydrophobicContact CE1-CD2 4.45Å; F182-L184 PolarHBondContact O-N 3.36Å; F182-V195 WeakPolarHBondContact O-CA 3.45Å; F182-G196 PolarHBondContact N-O 3.41Å; F182-G196 PolarHBondContact O-N 2.94Å; F182-F198 HydrophobicContact CB-CD2 3.68Å; F182-F198 HydrophobicContact CB-CE2 3.89Å; F182-F198 HydrophobicContact CD1-CD2 4.26Å; F182-F198 AromaticContact CD1-CE2 3.83Å; F182-F198 HydrophobicContact CD1-CE2 3.83Å; F182-F198 HydrophobicContact CG-CD2 4.2Å; F182-F198 HydrophobicContact CG-CE2 4.2Å; F182-L201 HydrophobicContact CD2-CD2 3.73Å; F182-L201 HydrophobicContact CE2-CD2 4.17Å; F182-L201 HydrophobicContact CG-CD2 4.17Å; F182-V214 HydrophobicContact CD2-CG1 4.47Å; F182-V214 HydrophobicContact CE1-CG1 4.44Å; F182-V214 HydrophobicContact CE2-CB 3.9Å; F182-V214 HydrophobicContact CE2-CG1 3.62Å; F182-V214 HydrophobicContact CE2-CG2 4.46Å; F182-V214 HydrophobicContact CZ-CB 4.09Å; F182-V214 HydrophobicContact CZ-CG1 3.6Å; F182-F216 HydrophobicContact CE1-CB 4.15Å; F182-I234 HydrophobicContact CD1-CG2 4.17Å; F182-I234 HydrophobicContact CE1-CG2 3.95Å |
| 183 | T | 95.9 | Very high | 93.1 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 43% | 0.429 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 127.9 | 178.2 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | F44 A192 | F44-T183 HydrophobicContact CE2-CG2 4.45Å; F44-T183 HydrophobicContact CZ-CG2 4.44Å; T183-A192 HydrophobicContact CG2-CB 3.38Å |
| 184 | L | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.9 | 177.2 | -55.3 | 179 | 0 | 0 | 0 | 110 | A41 F56 F182 A192 V193 G194 F198 F216 | A41-L184 HydrophobicContact CB-CD1 3.75Å; F56-L184 HydrophobicContact CD1-CB 4.38Å; F56-L184 HydrophobicContact CD1-CD1 3.82Å; F56-L184 HydrophobicContact CD2-CD1 3.92Å; F56-L184 HydrophobicContact CE1-CD1 3.57Å; F56-L184 HydrophobicContact CE2-CD1 3.69Å; F56-L184 HydrophobicContact CG-CD1 3.99Å; F56-L184 HydrophobicContact CZ-CD1 3.52Å; F182-L184 HydrophobicContact CD1-CD2 4.01Å; F182-L184 HydrophobicContact CE1-CD2 4.45Å; F182-L184 PolarHBondContact O-N 3.36Å; L184-A192 CarbonylContact O-C 3.46Å; L184-V193 WeakPolarHBondContact O-CG2 3.48Å; L184-V193 PolarHBondContact O-N 2.92Å; L184-G194 PolarHBondContact N-O 3.3Å; L184-G194 PolarHBondContact O-N 3.27Å; L184-F198 HydrophobicContact CD2-CE2 3.89Å; L184-F198 HydrophobicContact CD2-CZ 3.85Å; L184-F216 HydrophobicContact CB-CD1 4.19Å; L184-F216 HydrophobicContact CB-CE1 4.06Å; L184-F216 HydrophobicContact CD1-CZ 4.44Å; L184-F216 HydrophobicContact CD2-CD1 4.12Å; L184-F216 HydrophobicContact CD2-CD2 3.76Å; L184-F216 HydrophobicContact CD2-CE1 4.19Å; L184-F216 HydrophobicContact CD2-CE2 3.86Å; L184-F216 HydrophobicContact CD2-CG 3.89Å; L184-F216 HydrophobicContact CD2-CZ 4.07Å |
| 185 | S | 93.9 | Very high | 93.1 | Very high | 43 Ų | 43 | 36 Ų | 36 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 156.6 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | Q191 N218 | S185-Q191 WeakPolarHBondContact CA-O 3.49Å; S185-N218 PolarHBondContact O-ND2 3.48Å; S185-N218 VanDerWaalsContact O-ND2 3.17Å |
| 186 | D | 92.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 169 | 166.6 | 69.5 | 32.5 | 0 | 0 | 0 | 111.9 | R58 R188 G189 L190 Q191 V193 | R58-D186 HydrophobicContact CB-CB 4.4Å; R58-D186 HydrophobicContact CG-CB 3.9Å; D186-R188 PolarHBondContact O-N 2.95Å; D186-R188 WeakPolarHBondContact OD1-CA 3.39Å; D186-R188 WeakPolarHBondContact OD1-CB 3.26Å; D186-R188 PolarHBondContact OD1-N 2.78Å; D186-G189 PolarHBondContact O-N 3.13Å; D186-G189 PolarHBondContact OD1-N 3.49Å; D186-L190 PolarHBondContact OD1-N 3.5Å; D186-L190 VanDerWaalsContact OD1-N 3.1Å; D186-Q191 PolarHBondContact N-O 3.33Å; D186-Q191 VanDerWaalsContact N-O 3.1Å; D186-V193 HydrophobicContact CB-CG1 3.84Å |
| 187 | Q | 90.2 | Very high | 93.2 | Very high | 41 Ų | 41 | 36 Ų | 36 | 19% | 0.192 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.6 | -177.1 | 71.6 | -80.3 | 12.4 | 0 | 0 | 114.9 | K57 R58 N218 I433 | K57-Q187 HydrophobicContact CD-CB 4.43Å; K57-Q187 HydrophobicContact CG-CB 4.14Å; R58-Q187 PolarHBondContact O-NE2 3.26Å; Q187-N218 VanDerWaalsContact CA-OD1 3.31Å; Q187-N218 WeakPolarHBondContact CA-OD1 3.29Å; Q187-I433 WeakPolarHBondContact O-CG1 3.42Å |
| 188 | R | 85.2 | Confident | 93.3 | Very high | 153 Ų | 153 | 36 Ų | 36 | 58% | 0.577 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -5.3 | 178.9 | -57.5 | 178.2 | 67.5 | -174 | -0.1 | 111.6 | D186 L190 | D186-R188 PolarHBondContact O-N 2.95Å; D186-R188 WeakPolarHBondContact OD1-CA 3.39Å; D186-R188 WeakPolarHBondContact OD1-CB 3.26Å; D186-R188 PolarHBondContact OD1-N 2.78Å; R188-L190 HydrophobicContact CB-CB 4.46Å; R188-L190 HydrophobicContact CB-CD1 3.83Å; R188-L190 HydrophobicContact CB-CG 3.73Å; R188-L190 PolarHBondContact O-N 2.98Å |
| 189 | G | 84.4 | Confident | 93.5 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 64.6 | 22.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | D186 | D186-G189 PolarHBondContact O-N 3.13Å; D186-G189 PolarHBondContact OD1-N 3.49Å |
| 190 | L | 77.6 | Confident | 93.7 | Very high | 96 Ų | 96 | 32.8 Ų | 32.8 | 50% | 0.503 | 18% | 0.183 | S | C | . | . | trans | -90.5 | -31.8 | -172.9 | -68.1 | 178.5 | 0 | 0 | 0 | 112.9 | D186 R188 | D186-L190 PolarHBondContact OD1-N 3.5Å; D186-L190 VanDerWaalsContact OD1-N 3.1Å; R188-L190 HydrophobicContact CB-CB 4.46Å; R188-L190 HydrophobicContact CB-CD1 3.83Å; R188-L190 HydrophobicContact CB-CG 3.73Å; R188-L190 PolarHBondContact O-N 2.98Å | ||
| 191 | Q | 85.7 | Confident | 93.7 | Very high | 75 Ų | 75 | 32.2 Ų | 32.2 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -141 | 143.3 | -176.2 | -166 | 179.7 | -1.7 | 0 | 0 | 111.1 | S185 D186 | S185-Q191 WeakPolarHBondContact CA-O 3.49Å; D186-Q191 PolarHBondContact N-O 3.33Å; D186-Q191 VanDerWaalsContact N-O 3.1Å |
| 192 | A | 93.7 | Very high | 93.8 | Very high | 43 Ų | 43 | 32 Ų | 32 | 36% | 0.355 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 121.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F44 L47 T183 L184 | F44-A192 HydrophobicContact CE2-CB 3.96Å; L47-A192 WeakPolarHBondContact CD1-O 3.35Å; T183-A192 HydrophobicContact CG2-CB 3.38Å; L184-A192 CarbonylContact O-C 3.46Å |
| 193 | V | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -11.4 | -171.5 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | V43 F44 L47 V51 F56 R58 L184 D186 | V43-V193 WeakPolarHBondContact CA-O 3.39Å; V43-V193 WeakPolarHBondContact CG1-O 3.47Å; F44-V193 PolarHBondContact N-O 3.4Å; L47-V193 HydrophobicContact CD1-CB 4.14Å; L47-V193 HydrophobicContact CD1-CG1 4Å; V51-V193 HydrophobicContact CG1-CB 4.1Å; V51-V193 HydrophobicContact CG1-CG2 4.26Å; V51-V193 HydrophobicContact CG2-CB 3.82Å; V51-V193 HydrophobicContact CG2-CG1 3.81Å; F56-V193 HydrophobicContact CB-CG2 3.89Å; F56-V193 HydrophobicContact CD1-CG2 4.28Å; R58-V193 HydrophobicContact CG-CG1 4.25Å; L184-V193 WeakPolarHBondContact O-CG2 3.48Å; L184-V193 PolarHBondContact O-N 2.92Å; D186-V193 HydrophobicContact CB-CG1 3.84Å |
| 194 | G | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | -174.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V42 F44 L184 | V42-G194 CarbonylContact O-C 3.55Å; V42-G194 WeakPolarHBondContact O-CA 3.24Å; F44-G194 VanDerWaalsContact CD2-N 3.33Å; F44-G194 VanDerWaalsContact CZ-C 3.49Å; F44-G194 VanDerWaalsContact CZ-O 3.24Å; F44-G194 WeakPolarHBondContact CZ-O 3.24Å; L184-G194 PolarHBondContact N-O 3.3Å; L184-G194 PolarHBondContact O-N 3.27Å |
| 195 | V | 98 | Very high | 94.1 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.2 | 178 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | A41 V42 F44 L106 F182 | A41-V195 CarbonylContact C-O 3.56Å; A41-V195 VanDerWaalsContact CA-O 3.27Å; A41-V195 WeakPolarHBondContact CA-O 3.38Å; V42-V195 HydrophobicContact CG2-CG1 3.73Å; V42-V195 PolarHBondContact N-O 2.96Å; V42-V195 PolarHBondContact O-N 3.32Å; F44-V195 HydrophobicContact CE1-CB 3.99Å; F44-V195 HydrophobicContact CE1-CG1 4.01Å; F44-V195 HydrophobicContact CZ-CB 4.36Å; L106-V195 HydrophobicContact CD2-CG1 4.01Å; L106-V195 HydrophobicContact CD2-CG2 4.23Å; F182-V195 WeakPolarHBondContact O-CA 3.45Å |
| 196 | G | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 159.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | S40 F182 | S40-G196 CarbonylContact O-C 3.58Å; S40-G196 WeakPolarHBondContact O-CA 3.3Å; F182-G196 PolarHBondContact N-O 3.41Å; F182-G196 PolarHBondContact O-N 2.94Å |
| 197 | I | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.5 | 175.8 | -61.1 | -62.7 | 0 | 0 | 0 | 109.3 | A38 Y39 S40 L106 I110 V129 L132 I177 N180 P199 | A38-I197 CarbonylContact C-O 3.58Å; Y39-I197 WeakPolarHBondContact CB-O 3.48Å; Y39-I197 PolarHBondContact N-O 3.42Å; S40-I197 PolarHBondContact O-N 2.99Å; L106-I197 HydrophobicContact CD2-CG1 4.19Å; I110-I197 HydrophobicContact CD1-CG1 3.92Å; V129-I197 HydrophobicContact CG2-CG2 4Å; L132-I197 HydrophobicContact CD1-CG2 3.93Å; I177-I197 HydrophobicContact CG1-CD1 4.44Å; N180-I197 HydrophobicContact CB-CD1 4.41Å; I197-P199 HydrophobicContact CG2-CG 4.43Å |
| 198 | F | 97.9 | Very high | 95 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | trans | -131.3 | 90 | -178.2 | -63.5 | -90.8 | 0 | 0 | 0 | 107.3 | E36 A38 F182 L184 N200 L201 G202 I234 | E36-F198 HydrophobicContact CG-CD1 4.2Å; E36-F198 WeakPolarHBondContact OE2-CB 3.44Å; A38-F198 HydrophobicContact CB-CD1 4.36Å; A38-F198 HydrophobicContact CB-CE1 3.67Å; A38-F198 HydrophobicContact CB-CE2 4.35Å; A38-F198 HydrophobicContact CB-CZ 3.66Å; A38-F198 VanDerWaalsContact N-CE1 3.25Å; F182-F198 HydrophobicContact CB-CD2 3.68Å; F182-F198 HydrophobicContact CB-CE2 3.89Å; F182-F198 HydrophobicContact CD1-CD2 4.26Å; F182-F198 AromaticContact CD1-CE2 3.83Å; F182-F198 HydrophobicContact CD1-CE2 3.83Å; F182-F198 HydrophobicContact CG-CD2 4.2Å; F182-F198 HydrophobicContact CG-CE2 4.2Å; L184-F198 HydrophobicContact CD2-CE2 3.89Å; L184-F198 HydrophobicContact CD2-CZ 3.85Å; F198-N200 VanDerWaalsContact C-N 3.31Å; F198-N200 PolarHBondContact O-N 2.87Å; F198-L201 HydrophobicContact CB-CB 3.78Å; F198-L201 HydrophobicContact CB-CD2 4.27Å; F198-L201 PolarHBondContact O-N 3.46Å; F198-L201 VanDerWaalsContact O-N 3.14Å; F198-G202 PolarHBondContact O-N 3.48Å; F198-I234 HydrophobicContact CB-CG1 4.39Å; F198-I234 HydrophobicContact CD1-CB 4.25Å; F198-I234 HydrophobicContact CD1-CD1 4.49Å; F198-I234 HydrophobicContact CD1-CG1 3.35Å; F198-I234 HydrophobicContact CD1-CG2 3.97Å; F198-I234 HydrophobicContact CD2-CG2 4.44Å; F198-I234 HydrophobicContact CE1-CB 4.08Å; F198-I234 HydrophobicContact CE1-CG1 3.66Å; F198-I234 HydrophobicContact CE1-CG2 3.45Å; F198-I234 VanDerWaalsContact CE1-CG2 3.45Å; F198-I234 HydrophobicContact CE2-CG2 4.01Å; F198-I234 HydrophobicContact CG-CG1 3.92Å; F198-I234 HydrophobicContact CG-CG2 4.42Å; F198-I234 HydrophobicContact CZ-CG1 4.46Å; F198-I234 HydrophobicContact CZ-CG2 3.48Å; F198-I234 VanDerWaalsContact CZ-CG2 3.48Å | ||
| 199 | P | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -41.6 | -169.2 | -29.7 | 35.7 | 0 | 0 | 0 | 114.4 | E36 Y39 V127 I197 G202 | E36-P199 VanDerWaalsContact OE1-CD 3.3Å; E36-P199 WeakPolarHBondContact OE1-CD 3.2Å; Y39-P199 HydrophobicContact CD2-CG 4.09Å; Y39-P199 HydrophobicContact CG-CG 4.18Å; V127-P199 HydrophobicContact CG1-CB 3.99Å; V127-P199 WeakPolarHBondContact CG1-O 3.24Å; I197-P199 HydrophobicContact CG2-CG 4.43Å; P199-G202 PolarHBondContact O-N 3.24Å |
| 200 | N | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -39.3 | -179.9 | -60.3 | -71.7 | 0 | 0 | 0 | 111.7 | M6 F34 E36 G124 C125 L126 F198 G202 L203 | M6-N200 HydrophobicContact CE-CB 3.51Å; M6-N200 WeakPolarHBondContact CE-ND2 3.43Å; M6-N200 HydrophobicContact SD-CB 4.06Å; F34-N200 HydrophobicContact CE2-CB 4.24Å; F34-N200 HydrophobicContact CZ-CB 4.39Å; E36-N200 WeakPolarHBondContact OE1-CB 3.46Å; E36-N200 PolarHBondContact OE1-N 2.69Å; E36-N200 PolarHBondContact OE1-ND2 3.47Å; E36-N200 WeakPolarHBondContact OE2-CB 3.25Å; E36-N200 PolarHBondContact OE2-N 3.21Å; G124-N200 PolarHBondContact O-ND2 3.41Å; C125-N200 WeakPolarHBondContact CA-OD1 3.47Å; L126-N200 WeakPolarHBondContact CB-OD1 3.33Å; L126-N200 WeakPolarHBondContact CG-OD1 3.35Å; L126-N200 PolarHBondContact N-OD1 3.12Å; F198-N200 VanDerWaalsContact C-N 3.31Å; F198-N200 PolarHBondContact O-N 2.87Å; N200-G202 PolarHBondContact O-N 3.24Å; N200-L203 WeakPolarHBondContact O-CB 3.43Å; N200-L203 PolarHBondContact O-N 3.07Å |
| 201 | L | 98.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 17.2 Ų | 17.2 | 8% | 0.079 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -61.4 | -33.4 | 171.6 | 179.5 | 62.4 | 0 | 0 | 0 | 112.4 | E36 F182 F198 L203 V204 V214 I234 L236 | E36-L201 PolarHBondContact OE2-N 3.24Å; E36-L201 VanDerWaalsContact OE2-N 3.11Å; F182-L201 HydrophobicContact CD2-CD2 3.73Å; F182-L201 HydrophobicContact CE2-CD2 4.17Å; F182-L201 HydrophobicContact CG-CD2 4.17Å; F198-L201 HydrophobicContact CB-CB 3.78Å; F198-L201 HydrophobicContact CB-CD2 4.27Å; F198-L201 PolarHBondContact O-N 3.46Å; F198-L201 VanDerWaalsContact O-N 3.14Å; L201-L203 PolarHBondContact O-N 3.44Å; L201-V204 HydrophobicContact CD1-CB 4.36Å; L201-V204 HydrophobicContact CD1-CG2 4.15Å; L201-V204 WeakPolarHBondContact O-CB 3.19Å; L201-V204 PolarHBondContact O-N 2.92Å; L201-V214 HydrophobicContact CD1-CG1 4.38Å; L201-V214 HydrophobicContact CD1-CG2 3.57Å; L201-V214 HydrophobicContact CD2-CG1 3.78Å; L201-V214 HydrophobicContact CD2-CG2 4.2Å; L201-I234 HydrophobicContact CB-CD1 4.42Å; L201-I234 HydrophobicContact CD2-CD1 4.41Å; L201-I234 HydrophobicContact CD2-CG1 4.49Å; L201-L236 HydrophobicContact CD1-CD1 4.32Å |
| 202 | G | 97.5 | Very high | 98 | Very high | 24 Ų | 24 | 13.7 Ų | 13.7 | 25% | 0.247 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -62.6 | -8.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F198 P199 N200 | F198-G202 PolarHBondContact O-N 3.48Å; P199-G202 PolarHBondContact O-N 3.24Å; N200-G202 PolarHBondContact O-N 3.24Å |
| 203 | L | 98.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 12.7 Ų | 12.7 | 3% | 0.026 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -94.7 | -6.5 | 174.3 | -61.2 | 169.5 | 0 | 0 | 0 | 113.3 | V11 R19 G20 L21 L126 V127 N200 L201 | V11-L203 HydrophobicContact CG2-CD1 3.95Å; R19-L203 HydrophobicContact CB-CD2 4.29Å; G20-L203 CarbonylContact C-O 3.58Å; G20-L203 VanDerWaalsContact CA-O 3.31Å; G20-L203 WeakPolarHBondContact CA-O 3.38Å; L21-L203 HydrophobicContact CD1-CB 4.29Å; L21-L203 HydrophobicContact CD2-CB 3.94Å; L21-L203 HydrophobicContact CD2-CD1 4.04Å; L21-L203 HydrophobicContact CG-CB 3.78Å; L21-L203 PolarHBondContact N-O 2.93Å; L126-L203 HydrophobicContact CB-CD1 3.68Å; L126-L203 HydrophobicContact CD1-CD1 4.35Å; V127-L203 HydrophobicContact CB-CD1 4.09Å; V127-L203 HydrophobicContact CB-CD2 4.11Å; V127-L203 HydrophobicContact CB-CG 4.39Å; V127-L203 HydrophobicContact CG1-CD1 3.84Å; V127-L203 HydrophobicContact CG1-CD2 4.01Å; V127-L203 HydrophobicContact CG1-CG 3.89Å; V127-L203 HydrophobicContact CG2-CD2 4.38Å; N200-L203 WeakPolarHBondContact O-CB 3.43Å; N200-L203 PolarHBondContact O-N 3.07Å; L201-L203 PolarHBondContact O-N 3.44Å |
| 204 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | trans | -88.2 | 114.8 | -176.8 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | L21 F34 L201 L236 L248 V250 Y252 | L21-V204 HydrophobicContact CD1-CG2 3.76Å; L21-V204 HydrophobicContact CG-CG2 4.31Å; F34-V204 HydrophobicContact CZ-CG2 4.43Å; L201-V204 HydrophobicContact CD1-CB 4.36Å; L201-V204 HydrophobicContact CD1-CG2 4.15Å; L201-V204 WeakPolarHBondContact O-CB 3.19Å; L201-V204 PolarHBondContact O-N 2.92Å; V204-L236 HydrophobicContact CG2-CD2 4.12Å; V204-L248 WeakPolarHBondContact CG1-O 3.13Å; V204-V250 HydrophobicContact CB-CG2 4.46Å; V204-V250 HydrophobicContact CG1-CB 4.38Å; V204-V250 HydrophobicContact CG1-CG1 3.87Å; V204-V250 HydrophobicContact CG1-CG2 3.95Å; V204-Y252 PolarHBondContact O-OH 3.47Å | ||
| 205 | N | 98.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 15 Ų | 15 | 11% | 0.112 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 166.3 | -176.4 | -77.2 | -40.6 | 0 | 0 | 0 | 114.1 | K17 R19 E247 T249 V250 | K17-N205 HydrophobicContact CD-CB 4.38Å; R19-N205 PolarHBondContact O-ND2 3.06Å; R19-N205 PolarHBondContact O-OD1 3.03Å; N205-E247 WeakPolarHBondContact CB-OE1 3.47Å; N205-E247 PolarHBondContact ND2-OE1 3.09Å; N205-T249 VanDerWaalsContact O-CA 3.25Å; N205-T249 WeakPolarHBondContact O-CA 3.16Å; N205-V250 PolarHBondContact O-N 3.38Å |
| 206 | H | 98.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 14.9 Ų | 14.9 | 5% | 0.051 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 138.1 | 176.3 | 179.9 | 58.5 | 0 | 0 | 0 | 113.6 | C208 V250 Y252 L266 F272 | H206-C208 PolarHBondContact NE2-N 2.75Å; H206-C208 PolarHBondContact NE2-SG 3.43Å; H206-V250 CarbonylContact C-O 3.58Å; H206-V250 VanDerWaalsContact CA-O 3.24Å; H206-V250 WeakPolarHBondContact CA-O 3.3Å; H206-V250 PolarHBondContact ND1-O 3.4Å; H206-Y252 HydrophobicContact CB-CD1 4.07Å; H206-Y252 HydrophobicContact CB-CD2 3.8Å; H206-Y252 HydrophobicContact CB-CE1 4.04Å; H206-Y252 HydrophobicContact CB-CE2 3.8Å; H206-Y252 HydrophobicContact CB-CG 3.94Å; H206-Y252 AromaticContact ND1-CG 3.87Å; H206-Y252 PolarHBondContact ND1-N 2.89Å; H206-L266 VanDerWaalsContact CD2-CD1 3.49Å; H206-L266 WeakPolarHBondContact CD2-CD1 3.47Å; H206-L266 VanDerWaalsContact NE2-CD1 3.29Å; H206-L266 WeakPolarHBondContact NE2-CD1 3.44Å; H206-F272 HydrophobicContact CB-CE1 4.4Å; H206-F272 HydrophobicContact CB-CE2 4.39Å; H206-F272 HydrophobicContact CB-CZ 3.64Å; H206-F272 AromaticContact CD2-CZ 3.64Å; H206-F272 AromaticContact CG-CZ 3.85Å |
| 207 | D | 98.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 15 Ų | 15 | 16% | 0.155 | 8% | 0.082 | C | C | . | . | trans | -137.1 | 145 | 152.1 | -159.9 | -56.3 | 0 | 0 | 0 | 109.8 | W209 T249 V250 S251 C276 | D207-W209 PolarHBondContact O-N 2.64Å; D207-W209 PolarHBondContact OD1-N 3.13Å; D207-T249 HydrophobicContact CB-CG2 4.1Å; D207-V250 PolarHBondContact N-O 3.08Å; D207-S251 WeakPolarHBondContact O-CA 3.28Å; D207-C276 WeakPolarHBondContact OD1-CB 3.46Å; D207-C276 WeakPolarHBondContact OD2-CB 3.29Å | ||
| 208 | C | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.02 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -69.8 | -23.9 | 175.8 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | H206 F255 R262 H278 | H206-C208 PolarHBondContact NE2-N 2.75Å; H206-C208 PolarHBondContact NE2-SG 3.43Å; C208-F255 HydrophobicContact CB-CD2 4.2Å; C208-F255 HydrophobicContact CB-CE2 4.3Å; C208-F255 WeakPolarHBondContact O-CD2 3.39Å; C208-R262 PolarHBondContact SG-NE 2.94Å; C208-R262 VanDerWaalsContact SG-NE 3.35Å; C208-H278 HydrophobicContact CB-CB 4.34Å |
| 209 | W | 98.6 | Very high | 97 | Very high | 70 Ų | 70 | 15 Ų | 15 | 27% | 0.265 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -123.7 | 73.1 | 174.6 | -165.3 | -93.5 | 0 | 0 | 0 | 109.8 | D207 F255 H278 H386 | D207-W209 PolarHBondContact O-N 2.64Å; D207-W209 PolarHBondContact OD1-N 3.13Å; W209-F255 HydrophobicContact CE3-CE1 4.09Å; W209-F255 HydrophobicContact CE3-CE2 4.04Å; W209-F255 AromaticContact CE3-CZ 3.81Å; W209-F255 HydrophobicContact CE3-CZ 3.81Å; W209-F255 HydrophobicContact CZ3-CD1 4.34Å; W209-F255 AromaticContact CZ3-CE1 3.8Å; W209-F255 HydrophobicContact CZ3-CE1 3.8Å; W209-F255 AromaticContact CZ3-CZ 3.94Å; W209-F255 HydrophobicContact CZ3-CZ 3.94Å; W209-H278 WeakPolarHBondContact CB-CD2 3.41Å; W209-H278 VanDerWaalsContact CB-NE2 3.27Å; W209-H278 WeakPolarHBondContact CB-NE2 3.06Å; W209-H278 AromaticContact CD1-NE2 3.81Å; W209-H278 AromaticContact CD2-CE1 3.51Å; W209-H278 AromaticContact CD2-NE2 3.41Å; W209-H278 AromaticContact CE3-CE1 3.39Å; W209-H278 AromaticContact CE3-NE2 3.8Å; W209-H278 AromaticContact CG-CD2 3.75Å; W209-H278 AromaticContact CG-CE1 3.77Å; W209-H278 AromaticContact CG-NE2 3.2Å; W209-H386 HydrophobicContact CD2-CB 4.39Å; W209-H386 AromaticContact CE2-CD2 3.58Å; W209-H386 HydrophobicContact CE3-CB 4.39Å; W209-H386 HydrophobicContact CH2-CB 3.73Å; W209-H386 HydrophobicContact CZ2-CB 3.67Å; W209-H386 AromaticContact CZ2-CD2 3.52Å; W209-H386 AromaticContact CZ2-CG 3.99Å; W209-H386 HydrophobicContact CZ3-CB 4.08Å; W209-H386 AromaticContact NE1-CD2 3.56Å |
| 210 | P | 98.7 | Very high | 96.2 | Very high | 18 Ų | 18 | 17.5 Ų | 17.5 | 12% | 0.117 | 10% | 0.097 | C | C | . | . | trans | -72.8 | 155.9 | -167 | 32 | -37.8 | 0 | 0 | 0 | 112.4 | C212 L239 T249 | P210-C212 WeakPolarHBondContact CB-O 3.43Å; P210-L239 HydrophobicContact CG-CD1 4.25Å; P210-T249 VanDerWaalsContact CB-O 3.27Å; P210-T249 WeakPolarHBondContact CB-O 3.3Å | ||
| 211 | N | 98.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 20.7 Ų | 20.7 | 13% | 0.134 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -86.9 | -10.8 | 168.8 | 60.3 | 8.2 | 0 | 0 | 0 | 112.7 | L239 I242 E246 E247 T249 | N211-L239 WeakPolarHBondContact O-CB 3.31Å; N211-L239 PolarHBondContact O-N 3.12Å; N211-I242 HydrophobicContact CB-CD1 4.07Å; N211-I242 HydrophobicContact CB-CG1 4.09Å; N211-E246 PolarHBondContact ND2-OE1 2.89Å; N211-E247 PolarHBondContact ND2-O 3.35Å; N211-T249 PolarHBondContact N-OG1 3.24Å; N211-T249 PolarHBondContact OD1-N 3.09Å; N211-T249 PolarHBondContact OD1-O 3.43Å; N211-T249 PolarHBondContact OD1-OG1 3.25Å |
| 212 | C | 98.8 | Very high | 93 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 160.8 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | I33 P210 L236 R237 T249 V250 | I33-C212 WeakPolarHBondContact CD1-SG 3.48Å; P210-C212 WeakPolarHBondContact CB-O 3.43Å; C212-L236 HydrophobicContact CB-CD1 3.72Å; C212-L236 HydrophobicContact CB-CG 4.07Å; C212-R237 CarbonylContact C-O 3.51Å; C212-R237 VanDerWaalsContact CA-O 3.24Å; C212-R237 WeakPolarHBondContact CA-O 3.4Å; C212-T249 WeakPolarHBondContact CA-O 3.44Å; C212-T249 VanDerWaalsContact CB-O 3.24Å; C212-T249 WeakPolarHBondContact CB-O 3.47Å; C212-T249 PolarHBondContact N-O 2.87Å; C212-V250 HydrophobicContact CB-CG1 3.93Å |
| 213 | T | 98.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 13% | 0.129 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152 | 168.7 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | R237 L239 T426 | T213-R237 HydrophobicContact CG2-CB 3.99Å; T213-R237 PolarHBondContact N-O 2.93Å; T213-R237 PolarHBondContact O-N 3.47Å; T213-L239 HydrophobicContact CG2-CD2 3.53Å; T213-L239 HydrophobicContact CG2-CG 4.19Å; T213-T426 HydrophobicContact CG2-CG2 4.15Å |
| 214 | V | 97.8 | Very high | 88.9 | Confident | 27 Ų | 27 | 34 Ų | 34 | 16% | 0.164 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.2 | 174.5 | -168.3 | 0 | 0 | 0 | 0 | 109 | F182 L201 I234 E235 L236 V250 | F182-V214 HydrophobicContact CD2-CG1 4.47Å; F182-V214 HydrophobicContact CE1-CG1 4.44Å; F182-V214 HydrophobicContact CE2-CB 3.9Å; F182-V214 HydrophobicContact CE2-CG1 3.62Å; F182-V214 HydrophobicContact CE2-CG2 4.46Å; F182-V214 HydrophobicContact CZ-CB 4.09Å; F182-V214 HydrophobicContact CZ-CG1 3.6Å; L201-V214 HydrophobicContact CD1-CG1 4.38Å; L201-V214 HydrophobicContact CD1-CG2 3.57Å; L201-V214 HydrophobicContact CD2-CG1 3.78Å; L201-V214 HydrophobicContact CD2-CG2 4.2Å; V214-I234 HydrophobicContact CG1-CB 4.09Å; V214-I234 HydrophobicContact CG1-CG2 4.42Å; V214-E235 WeakPolarHBondContact CA-O 3.45Å; V214-L236 HydrophobicContact CG2-CD1 3.92Å; V214-V250 HydrophobicContact CG2-CB 4.34Å; V214-V250 HydrophobicContact CG2-CG1 3.74Å |
| 215 | I | 96.1 | Very high | 86.8 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137 | 170.2 | -173.5 | 58 | 0 | 0 | 0 | 111 | I234 E235 T426 H427 | I215-I234 CarbonylContact O-C 3.47Å; I215-I234 WeakPolarHBondContact O-CA 3.43Å; I215-E235 HydrophobicContact CG2-CB 3.96Å; I215-E235 PolarHBondContact N-O 3.36Å; I215-E235 PolarHBondContact O-N 2.86Å; I215-T426 WeakPolarHBondContact CG2-O 3.44Å; I215-H427 WeakPolarHBondContact CD1-CD2 3.42Å; I215-H427 WeakPolarHBondContact CD1-NE2 3.48Å; I215-H427 HydrophobicContact CG1-CB 4.29Å |
| 216 | F | 95.8 | Very high | 85.1 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.1 | 171.3 | 176 | -119.4 | 0 | 0 | 0 | 110.6 | F56 F182 L184 N218 M232 I234 H431 | F56-F216 HydrophobicContact CB-CE1 4.03Å; F56-F216 HydrophobicContact CB-CZ 4.35Å; F56-F216 HydrophobicContact CD2-CE1 4.41Å; F56-F216 AromaticContact CD2-CZ 3.91Å; F56-F216 HydrophobicContact CD2-CZ 3.91Å; F56-F216 HydrophobicContact CG-CE1 4.43Å; F56-F216 HydrophobicContact CG-CZ 4.38Å; F182-F216 HydrophobicContact CE1-CB 4.15Å; L184-F216 HydrophobicContact CB-CD1 4.19Å; L184-F216 HydrophobicContact CB-CE1 4.06Å; L184-F216 HydrophobicContact CD1-CZ 4.44Å; L184-F216 HydrophobicContact CD2-CD1 4.12Å; L184-F216 HydrophobicContact CD2-CD2 3.76Å; L184-F216 HydrophobicContact CD2-CE1 4.19Å; L184-F216 HydrophobicContact CD2-CE2 3.86Å; L184-F216 HydrophobicContact CD2-CG 3.89Å; L184-F216 HydrophobicContact CD2-CZ 4.07Å; F216-N218 VanDerWaalsContact CE1-ND2 3.32Å; F216-N218 WeakPolarHBondContact CE1-ND2 3.22Å; F216-M232 HydrophobicContact CE2-CG 3.54Å; F216-M232 HydrophobicContact CE2-SD 4.04Å; F216-M232 HydrophobicContact CZ-CG 3.66Å; F216-M232 HydrophobicContact CZ-SD 3.73Å; F216-I234 HydrophobicContact CB-CG2 4.18Å; F216-I234 HydrophobicContact CD2-CG2 3.97Å; F216-H431 PolarHBondContact O-NE2 2.95Å; F216-H431 VanDerWaalsContact O-NE2 3.09Å |
| 217 | N | 93.4 | Very high | 83.8 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.2 | 174 | -169.8 | -38.5 | 0 | 0 | 0 | 109.2 | G219 M232 R233 | N217-G219 PolarHBondContact O-N 3.08Å; N217-G219 VanDerWaalsContact O-N 3.12Å; N217-G219 PolarHBondContact OD1-N 3.45Å; N217-M232 VanDerWaalsContact O-CA 3.25Å; N217-M232 WeakPolarHBondContact O-CA 3.47Å; N217-R233 HydrophobicContact CB-CG 4.48Å; N217-R233 PolarHBondContact N-O 2.89Å; N217-R233 PolarHBondContact O-N 3.14Å |
| 218 | N | 92.4 | Very high | 82.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -66.1 | -10.9 | 179.6 | -54.8 | 85.4 | 0 | 0 | 0 | 114 | C55 K57 S185 Q187 F216 | C55-N218 WeakPolarHBondContact O-CB 3.33Å; C55-N218 PolarHBondContact O-ND2 3.47Å; K57-N218 HydrophobicContact CG-CB 3.99Å; S185-N218 PolarHBondContact O-ND2 3.48Å; S185-N218 VanDerWaalsContact O-ND2 3.17Å; Q187-N218 VanDerWaalsContact CA-OD1 3.31Å; Q187-N218 WeakPolarHBondContact CA-OD1 3.29Å; F216-N218 VanDerWaalsContact CE1-ND2 3.32Å; F216-N218 WeakPolarHBondContact CE1-ND2 3.22Å | ||
| 219 | G | 86.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | 71.4 | 177.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K57 N217 T230 | K57-G219 WeakPolarHBondContact CE-O 3.39Å; K57-G219 PolarHBondContact NZ-O 2.86Å; N217-G219 PolarHBondContact O-N 3.08Å; N217-G219 VanDerWaalsContact O-N 3.12Å; N217-G219 PolarHBondContact OD1-N 3.45Å; G219-T230 CarbonylContact C-O 3.49Å; G219-T230 WeakPolarHBondContact CA-O 3.28Å | ||
| 220 | N | 79.7 | Confident | 79.8 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | trans | -142 | 139.5 | 171 | -165.5 | 3.3 | 0 | 0 | 0 | 109.8 | E222 T230 | N220-E222 PolarHBondContact ND2-OE1 2.98Å; N220-E222 PolarHBondContact ND2-OE2 3.36Å; N220-E222 PolarHBondContact OD1-N 2.87Å; N220-T230 PolarHBondContact N-O 3.1Å; N220-T230 VanDerWaalsContact O-CB 3.31Å; N220-T230 WeakPolarHBondContact O-CB 3.42Å; N220-T230 VanDerWaalsContact O-O 3.1Å | ||
| 221 | H | 66 | Low | 79.1 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 32% | 0.319 | 29% | 0.289 | S | S | . | . | trans | -97.6 | 16.1 | -179.8 | -67.2 | -80.8 | 0 | 0 | 0 | 113.2 | D81 | D81-H221 IonicContact OD2-CE1 3.32Å; D81-H221 PolarHBondContact OD2-CE1 3.22Å; D81-H221 IonicContact OD2-ND1 3.09Å | ||
| 222 | E | 62.3 | Low | 78.7 | Confident | 140 Ų | 140 | 54.4 Ų | 54.4 | 65% | 0.654 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -58 | 154.8 | 167.7 | -81.4 | 168.6 | -146.7 | 0 | 0 | 111.4 | N220 V224 | N220-E222 PolarHBondContact ND2-OE1 2.98Å; N220-E222 PolarHBondContact ND2-OE2 3.36Å; N220-E222 PolarHBondContact OD1-N 2.87Å; E222-V224 PolarHBondContact O-N 3.29Å |
| 223 | A | 51.8 | Low | 78.5 | Confident | 108 Ų | 108 | 54.4 Ų | 54.4 | 89% | 0.893 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -46.2 | -7 | -149.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||
| 224 | V | 59.2 | Low | 78.4 | Confident | 76 Ų | 76 | 53.4 Ų | 53.4 | 46% | 0.461 | 29% | 0.29 | S | S | . | . | trans | -113.8 | 80.4 | 180 | -158 | 0 | 0 | 0 | 0 | 110.8 | E222 S226 M227 T230 | E222-V224 PolarHBondContact O-N 3.29Å; V224-S226 PolarHBondContact O-N 2.9Å; V224-M227 HydrophobicContact CB-CG 4.06Å; V224-M227 HydrophobicContact CB-SD 4.17Å; V224-M227 HydrophobicContact CG1-CG 3.59Å; V224-M227 HydrophobicContact CG1-SD 4.03Å; V224-M227 PolarHBondContact O-N 3.46Å; V224-T230 PolarHBondContact O-OG1 3.39Å; V224-T230 VanDerWaalsContact O-OG1 3.13Å | ||
| 225 | K | 54.8 | Low | 78.4 | Confident | 137 Ų | 137 | 52.2 Ų | 52.2 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.7 | -175.1 | -71.1 | -176.1 | 171.8 | -173.3 | 0 | 115.6 | ||
| 226 | S | 62.2 | Low | 78.5 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 70% | 0.699 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -3 | -172.5 | 54.6 | 0 | 0 | 0 | 0 | 114.9 | V224 | V224-S226 PolarHBondContact O-N 2.9Š|
| 227 | M | 70 | Confident | 78.7 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 49% | 0.493 | 28% | 0.277 | S | S | . | . | trans | -73.8 | 137.5 | 179.6 | -63.4 | -168 | 87.5 | 0 | 0 | 111 | V224 H229 T230 | V224-M227 HydrophobicContact CB-CG 4.06Å; V224-M227 HydrophobicContact CB-SD 4.17Å; V224-M227 HydrophobicContact CG1-CG 3.59Å; V224-M227 HydrophobicContact CG1-SD 4.03Å; V224-M227 PolarHBondContact O-N 3.46Å; M227-H229 PolarHBondContact O-N 3.42Å; M227-H229 VanDerWaalsContact O-N 3.13Å; M227-T230 HydrophobicContact CB-CG2 4.21Å; M227-T230 PolarHBondContact O-N 3.21Å; M227-T230 PolarHBondContact O-OG1 3.04Å | ||
| 228 | F | 66.8 | Low | 78.9 | Confident | 39 Ų | 39 | 51 Ų | 51 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -48.6 | -43.1 | 175.9 | 176.6 | -93.3 | 0 | 0 | 0 | 112.1 | M1 I3 A35 T230 R233 | M1-F228 HydrophobicContact CG-CE2 4.36Å; M1-F228 VanDerWaalsContact O-CD2 3.31Å; M1-F228 WeakPolarHBondContact O-CD2 3.48Å; I3-F228 HydrophobicContact CB-CE2 4.49Å; I3-F228 HydrophobicContact CD1-CD2 4.4Å; I3-F228 HydrophobicContact CD1-CE2 4.49Å; I3-F228 HydrophobicContact CG1-CD2 3.59Å; I3-F228 HydrophobicContact CG1-CE2 3.47Å; I3-F228 VanDerWaalsContact CG1-CE2 3.47Å; I3-F228 HydrophobicContact CG1-CZ 4.46Å; A35-F228 HydrophobicContact CB-CE2 3.97Å; A35-F228 HydrophobicContact CB-CZ 3.68Å; F228-T230 VanDerWaalsContact C-N 3.31Å; F228-T230 PolarHBondContact O-N 2.88Å; F228-R233 VanDerWaalsContact O-CZ 3.24Å; F228-R233 PolarHBondContact O-NH1 2.83Å |
| 229 | H | 70.7 | Confident | 79.2 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -70.8 | -18.6 | -176.1 | -62.2 | -64.8 | 0 | 0 | 0 | 115.1 | M227 R233 S430 | M227-H229 PolarHBondContact O-N 3.42Å; M227-H229 VanDerWaalsContact O-N 3.13Å; H229-R233 PolarHBondContact O-NH1 3.43Å; H229-S430 PolarHBondContact ND1-OG 3.18Å; H229-S430 VanDerWaalsContact ND1-OG 3.15Å |
| 230 | T | 75.4 | Confident | 79.8 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 18% | 0.184 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -93.9 | -6.5 | -176.4 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | G219 N220 V224 M227 F228 | G219-T230 CarbonylContact C-O 3.49Å; G219-T230 WeakPolarHBondContact CA-O 3.28Å; N220-T230 PolarHBondContact N-O 3.1Å; N220-T230 VanDerWaalsContact O-CB 3.31Å; N220-T230 WeakPolarHBondContact O-CB 3.42Å; N220-T230 VanDerWaalsContact O-O 3.1Å; V224-T230 PolarHBondContact O-OG1 3.39Å; V224-T230 VanDerWaalsContact O-OG1 3.13Å; M227-T230 HydrophobicContact CB-CG2 4.21Å; M227-T230 PolarHBondContact O-N 3.21Å; M227-T230 PolarHBondContact O-OG1 3.04Å; F228-T230 VanDerWaalsContact C-N 3.31Å; F228-T230 PolarHBondContact O-N 2.88Å |
| 231 | Q | 84.1 | Confident | 80.7 | Confident | 47 Ų | 47 | 55 Ų | 55 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -91 | 139 | -175.2 | -66 | 176.9 | -18.5 | 0 | 0 | 112.2 | I3 R233 | I3-Q231 HydrophobicContact CD1-CB 3.73Å; I3-Q231 HydrophobicContact CD1-CG 4.49Å; Q231-R233 PolarHBondContact O-N 2.75Å; Q231-R233 PolarHBondContact O-NH1 3.01Å |
| 232 | M | 91.3 | Very high | 82.2 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 28% | 0.281 | 28% | 0.282 | S | S | . | . | trans | -64.2 | 125.5 | 172.3 | -177.7 | -176.5 | 68.9 | 0 | 0 | 110.4 | T54 F56 F216 N217 | T54-M232 WeakPolarHBondContact O-CE 3.4Å; F56-M232 HydrophobicContact CD2-SD 3.73Å; F56-M232 HydrophobicContact CE2-CE 4.4Å; F56-M232 HydrophobicContact CE2-SD 3.98Å; F216-M232 HydrophobicContact CE2-CG 3.54Å; F216-M232 HydrophobicContact CE2-SD 4.04Å; F216-M232 HydrophobicContact CZ-CG 3.66Å; F216-M232 HydrophobicContact CZ-SD 3.73Å; N217-M232 VanDerWaalsContact O-CA 3.25Å; N217-M232 WeakPolarHBondContact O-CA 3.47Å | ||
| 233 | R | 93.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 161.8 | -175 | 67.1 | -162 | -176.8 | -80.6 | 1 | 111.2 | I3 E36 N217 F228 H229 Q231 E235 | I3-R233 HydrophobicContact CD1-CB 4.17Å; I3-R233 VanDerWaalsContact CD1-CD 3.49Å; I3-R233 HydrophobicContact CD1-CG 4.44Å; E36-R233 CarbonylContact O-C 3.6Å; E36-R233 VanDerWaalsContact O-CA 3.26Å; E36-R233 WeakPolarHBondContact O-CA 3.3Å; E36-R233 WeakPolarHBondContact O-CB 3.49Å; N217-R233 HydrophobicContact CB-CG 4.48Å; N217-R233 PolarHBondContact N-O 2.89Å; N217-R233 PolarHBondContact O-N 3.14Å; F228-R233 VanDerWaalsContact O-CZ 3.24Å; F228-R233 PolarHBondContact O-NH1 2.83Å; H229-R233 PolarHBondContact O-NH1 3.43Å; Q231-R233 PolarHBondContact O-N 2.75Å; Q231-R233 PolarHBondContact O-NH1 3.01Å; R233-E235 HydrophobicContact CG-CG 4.21Å; R233-E235 IonicContact CZ-OE1 3.7Å; R233-E235 IonicContact NE-OE1 2.75Å; R233-E235 PolarHBondContact NE-OE1 3.41Å; R233-E235 IonicContact NH2-OE1 3.38Å; R233-E235 PolarHBondContact NH2-OE1 3.21Å |
| 234 | I | 96.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 156.2 | 154.5 | 62.6 | 83.3 | 0 | 0 | 0 | 110 | F34 A35 E36 F182 F198 L201 V214 I215 F216 | F34-I234 HydrophobicContact CE2-CD1 4.04Å; A35-I234 VanDerWaalsContact CA-O 3.27Å; A35-I234 WeakPolarHBondContact CA-O 3.39Å; E36-I234 HydrophobicContact CB-CD1 3.76Å; E36-I234 HydrophobicContact CB-CG1 4.05Å; E36-I234 PolarHBondContact N-O 2.72Å; E36-I234 PolarHBondContact O-N 3.06Å; F182-I234 HydrophobicContact CD1-CG2 4.17Å; F182-I234 HydrophobicContact CE1-CG2 3.95Å; F198-I234 HydrophobicContact CB-CG1 4.39Å; F198-I234 HydrophobicContact CD1-CB 4.25Å; F198-I234 HydrophobicContact CD1-CD1 4.49Å; F198-I234 HydrophobicContact CD1-CG1 3.35Å; F198-I234 HydrophobicContact CD1-CG2 3.97Å; F198-I234 HydrophobicContact CD2-CG2 4.44Å; F198-I234 HydrophobicContact CE1-CB 4.08Å; F198-I234 HydrophobicContact CE1-CG1 3.66Å; F198-I234 HydrophobicContact CE1-CG2 3.45Å; F198-I234 VanDerWaalsContact CE1-CG2 3.45Å; F198-I234 HydrophobicContact CE2-CG2 4.01Å; F198-I234 HydrophobicContact CG-CG1 3.92Å; F198-I234 HydrophobicContact CG-CG2 4.42Å; F198-I234 HydrophobicContact CZ-CG1 4.46Å; F198-I234 HydrophobicContact CZ-CG2 3.48Å; F198-I234 VanDerWaalsContact CZ-CG2 3.48Å; L201-I234 HydrophobicContact CB-CD1 4.42Å; L201-I234 HydrophobicContact CD2-CD1 4.41Å; L201-I234 HydrophobicContact CD2-CG1 4.49Å; V214-I234 HydrophobicContact CG1-CB 4.09Å; V214-I234 HydrophobicContact CG1-CG2 4.42Å; I215-I234 CarbonylContact O-C 3.47Å; I215-I234 WeakPolarHBondContact O-CA 3.43Å; F216-I234 HydrophobicContact CB-CG2 4.18Å; F216-I234 HydrophobicContact CD2-CG2 3.97Å |
| 235 | E | 97.4 | Very high | 88 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131 | 168.9 | -59.9 | -176.1 | 155.9 | 0 | 0 | 108.9 | V32 A35 V214 I215 R233 R237 | V32-E235 HydrophobicContact CG1-CB 4.29Å; V32-E235 HydrophobicContact CG1-CG 4.46Å; A35-E235 HydrophobicContact CB-CG 4.07Å; V214-E235 WeakPolarHBondContact CA-O 3.45Å; I215-E235 HydrophobicContact CG2-CB 3.96Å; I215-E235 PolarHBondContact N-O 3.36Å; I215-E235 PolarHBondContact O-N 2.86Å; R233-E235 HydrophobicContact CG-CG 4.21Å; R233-E235 IonicContact CZ-OE1 3.7Å; R233-E235 IonicContact NE-OE1 2.75Å; R233-E235 PolarHBondContact NE-OE1 3.41Å; R233-E235 IonicContact NH2-OE1 3.38Å; R233-E235 PolarHBondContact NH2-OE1 3.21Å; E235-R237 HydrophobicContact CB-CG 4.24Å; E235-R237 IonicContact OE2-CZ 3.13Å; E235-R237 IonicContact OE2-NE 2.68Å; E235-R237 PolarHBondContact OE2-NE 3.16Å; E235-R237 IonicContact OE2-NH2 3.66Å; E235-R237 PolarHBondContact OE2-NH2 2.91Å |
| 236 | L | 98.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.3 | 165.6 | -172.5 | 73.2 | 0 | 0 | 0 | 107.8 | I33 F34 L201 V204 C212 V214 L248 V250 | I33-L236 HydrophobicContact CB-CB 4.47Å; I33-L236 HydrophobicContact CB-CD2 4.29Å; I33-L236 HydrophobicContact CB-CG 4.46Å; I33-L236 HydrophobicContact CD1-CD2 4.11Å; I33-L236 HydrophobicContact CD1-CG 4.26Å; I33-L236 HydrophobicContact CG2-CD2 4.25Å; I33-L236 PolarHBondContact N-O 3.28Å; F34-L236 HydrophobicContact CD1-CB 4.16Å; F34-L236 HydrophobicContact CD1-CD2 3.97Å; F34-L236 HydrophobicContact CE1-CB 3.89Å; F34-L236 HydrophobicContact CE1-CD2 3.33Å; F34-L236 HydrophobicContact CE1-CG 4.23Å; F34-L236 HydrophobicContact CE2-CB 4.25Å; F34-L236 HydrophobicContact CG-CB 4.46Å; F34-L236 HydrophobicContact CZ-CB 3.93Å; F34-L236 HydrophobicContact CZ-CD2 3.91Å; F34-L236 HydrophobicContact CZ-CG 4.49Å; F34-L236 PolarHBondContact O-N 3.33Å; L201-L236 HydrophobicContact CD1-CD1 4.32Å; V204-L236 HydrophobicContact CG2-CD2 4.12Å; C212-L236 HydrophobicContact CB-CD1 3.72Å; C212-L236 HydrophobicContact CB-CG 4.07Å; V214-L236 HydrophobicContact CG2-CD1 3.92Å; L236-L248 HydrophobicContact CD2-CD1 4.24Å; L236-V250 HydrophobicContact CD1-CG1 3.5Å; L236-V250 VanDerWaalsContact CD1-CG1 3.5Å |
| 237 | R | 98.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.2 | -173.4 | -71.8 | 170.5 | 162.2 | -78.7 | -10.4 | 111.1 | A30 D31 V32 C212 T213 E235 T426 H427 | A30-R237 PolarHBondContact O-NH1 2.83Å; D31-R237 VanDerWaalsContact O-CA 3.29Å; D31-R237 WeakPolarHBondContact O-CA 3.4Å; V32-R237 HydrophobicContact CG2-CG 4.32Å; V32-R237 VanDerWaalsContact CG2-NH2 3.34Å; C212-R237 CarbonylContact C-O 3.51Å; C212-R237 VanDerWaalsContact CA-O 3.24Å; C212-R237 WeakPolarHBondContact CA-O 3.4Å; T213-R237 HydrophobicContact CG2-CB 3.99Å; T213-R237 PolarHBondContact N-O 2.93Å; T213-R237 PolarHBondContact O-N 3.47Å; E235-R237 HydrophobicContact CB-CG 4.24Å; E235-R237 IonicContact OE2-CZ 3.13Å; E235-R237 IonicContact OE2-NE 2.68Å; E235-R237 PolarHBondContact OE2-NE 3.16Å; E235-R237 IonicContact OE2-NH2 3.66Å; E235-R237 PolarHBondContact OE2-NH2 2.91Å; R237-T426 WeakPolarHBondContact CD-O 3.36Å; R237-H427 PolarHBondContact NE-O 3.45Å |
| 238 | A | 98.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | F27 W28 A30 D31 I33 I242 | F27-A238 HydrophobicContact CB-CB 4.15Å; W28-A238 WeakPolarHBondContact O-CB 3.35Å; A30-A238 PolarHBondContact N-O 3.4Å; D31-A238 PolarHBondContact O-N 3.06Å; I33-A238 HydrophobicContact CD1-CB 4.36Å; I33-A238 HydrophobicContact CG1-CB 4.48Å; A238-I242 HydrophobicContact CB-CD1 3.78Å; A238-I242 HydrophobicContact CB-CG1 4.39Å |
| 239 | L | 98.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -88.1 | -13.8 | 177.6 | -69.8 | -178.7 | 0 | 0 | 0 | 113.2 | P210 N211 T213 N388 V425 T426 | P210-L239 HydrophobicContact CG-CD1 4.25Å; N211-L239 WeakPolarHBondContact O-CB 3.31Å; N211-L239 PolarHBondContact O-N 3.12Å; T213-L239 HydrophobicContact CG2-CD2 3.53Å; T213-L239 HydrophobicContact CG2-CG 4.19Å; L239-N388 HydrophobicContact CD2-CB 4.02Å; L239-N388 WeakPolarHBondContact CD2-O 3.27Å; L239-N388 PolarHBondContact O-ND2 3.23Å; L239-V425 HydrophobicContact CD2-CG1 4.37Å; L239-T426 HydrophobicContact CD2-CG2 4Å |
| 240 | G | 97.9 | Very high | 96.1 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 26% | 0.258 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -164.3 | -162.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | W28 A29 | W28-G240 CarbonylContact C-O 3.58Å; A29-G240 PolarHBondContact N-O 2.9Å |
| 241 | K | 98.6 | Very high | 97.2 | Very high | 111 Ų | 111 | 32.3 Ų | 32.3 | 48% | 0.483 | 18% | 0.179 | S | C | . | . | trans | -70.8 | 133.4 | 171.7 | -174.4 | 179.6 | 178.4 | 167.6 | 0 | 109.6 | E26 F27 W28 | E26-K241 WeakPolarHBondContact OE1-CE 3.47Å; E26-K241 IonicContact OE1-NZ 3.89Å; E26-K241 PolarHBondContact OE1-NZ 3Å; F27-K241 WeakPolarHBondContact O-CA 3.28Å; W28-K241 HydrophobicContact CE3-CB 4.33Å; W28-K241 HydrophobicContact CE3-CG 4.44Å; W28-K241 HydrophobicContact CH2-CD 3.96Å; W28-K241 HydrophobicContact CH2-CG 4.44Å; W28-K241 HydrophobicContact CZ2-CD 4.47Å; W28-K241 HydrophobicContact CZ3-CB 4.3Å; W28-K241 HydrophobicContact CZ3-CD 4.1Å; W28-K241 HydrophobicContact CZ3-CG 4.27Å | ||
| 242 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -127.4 | 127.9 | 173.1 | -55.8 | 177.6 | 0 | 0 | 0 | 107.6 | A23 E26 F27 I33 N211 A238 E246 L248 | A23-I242 HydrophobicContact CB-CG2 4.11Å; E26-I242 WeakPolarHBondContact CA-O 3.48Å; F27-I242 HydrophobicContact CB-CB 4.22Å; F27-I242 PolarHBondContact N-O 3.28Å; F27-I242 PolarHBondContact O-N 3.21Å; I33-I242 HydrophobicContact CD1-CD1 4.07Å; N211-I242 HydrophobicContact CB-CD1 4.07Å; N211-I242 HydrophobicContact CB-CG1 4.09Å; A238-I242 HydrophobicContact CB-CD1 3.78Å; A238-I242 HydrophobicContact CB-CG1 4.39Å; I242-E246 HydrophobicContact CG2-CB 3.89Å; I242-E246 HydrophobicContact CG2-CG 4.27Å; I242-L248 HydrophobicContact CD1-CD2 3.85Å; I242-L248 HydrophobicContact CG2-CD2 3.88Å |
| 243 | S | 98.8 | Very high | 98 | Very high | 56 Ų | 56 | 32.1 Ų | 32.1 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | trans | -82.9 | 155.3 | -179.7 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | G245 E246 | S243-G245 PolarHBondContact O-N 2.83Å; S243-E246 PolarHBondContact N-OE2 2.98Å; S243-E246 WeakPolarHBondContact O-CB 3.45Å; S243-E246 PolarHBondContact O-N 2.84Å; S243-E246 VanDerWaalsContact O-N 3.13Å | ||
| 244 | E | 98.6 | Very high | 98 | Very high | 147 Ų | 147 | 34.9 Ų | 34.9 | 69% | 0.687 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 135.8 | 168.8 | -177.7 | 178.1 | 178.6 | 0 | 0 | 110.5 | E246 | E244-E246 VanDerWaalsContact C-N 3.27Å; E244-E246 PolarHBondContact O-N 3.05Å |
| 245 | G | 98.4 | Very high | 98.1 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -8.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A23 S243 | A23-G245 WeakPolarHBondContact O-CA 3.31Å; A23-G245 PolarHBondContact O-N 3.39Å; S243-G245 PolarHBondContact O-N 2.83Å |
| 246 | E | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 138.8 | 178.8 | -165.6 | -178.1 | 138.5 | 0 | 0 | 111.6 | K22 A23 N211 I242 S243 E244 | K22-E246 CarbonylContact C-O 3.53Å; K22-E246 WeakPolarHBondContact CA-O 3.34Å; K22-E246 WeakPolarHBondContact CB-O 3.37Å; A23-E246 PolarHBondContact N-O 3.22Å; N211-E246 PolarHBondContact ND2-OE1 2.89Å; I242-E246 HydrophobicContact CG2-CB 3.89Å; I242-E246 HydrophobicContact CG2-CG 4.27Å; S243-E246 PolarHBondContact N-OE2 2.98Å; S243-E246 WeakPolarHBondContact O-CB 3.45Å; S243-E246 PolarHBondContact O-N 2.84Å; S243-E246 VanDerWaalsContact O-N 3.13Å; E244-E246 VanDerWaalsContact C-N 3.27Å; E244-E246 PolarHBondContact O-N 3.05Å |
| 247 | E | 98.7 | Very high | 98 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 132.4 | 174.5 | -178.5 | 175.9 | -155.3 | 0 | 0 | 110.3 | F12 K17 N205 N211 T249 | F12-E247 HydrophobicContact CE1-CB 4.28Å; F12-E247 HydrophobicContact CE1-CG 4Å; F12-E247 HydrophobicContact CZ-CB 3.86Å; F12-E247 HydrophobicContact CZ-CG 3.72Å; K17-E247 IonicContact NZ-OE1 2.66Å; K17-E247 IonicContact NZ-OE2 3.14Å; K17-E247 PolarHBondContact NZ-OE2 3.02Å; N205-E247 WeakPolarHBondContact CB-OE1 3.47Å; N205-E247 PolarHBondContact ND2-OE1 3.09Å; N211-E247 PolarHBondContact ND2-O 3.35Å; E247-T249 HydrophobicContact CG-CG2 3.96Å |
| 248 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 130.3 | 172.9 | -58.2 | -179.2 | 0 | 0 | 0 | 109.4 | V9 L21 A23 I33 V204 L236 I242 | V9-L248 HydrophobicContact CB-CD1 4.46Å; V9-L248 HydrophobicContact CG1-CD1 3.45Å; V9-L248 VanDerWaalsContact CG1-CD1 3.45Å; L21-L248 HydrophobicContact CB-CB 4.45Å; L21-L248 HydrophobicContact CB-CD1 4.34Å; L21-L248 PolarHBondContact O-N 2.95Å; A23-L248 HydrophobicContact CB-CD2 4.2Å; I33-L248 HydrophobicContact CD1-CD1 4.15Å; I33-L248 HydrophobicContact CD1-CD2 3.89Å; I33-L248 HydrophobicContact CG2-CD1 3.77Å; V204-L248 WeakPolarHBondContact CG1-O 3.13Å; L236-L248 HydrophobicContact CD2-CD1 4.24Å; I242-L248 HydrophobicContact CD1-CD2 3.85Å; I242-L248 HydrophobicContact CG2-CD2 3.88Å |
| 249 | T | 98.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.3 | -175.9 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | N205 D207 P210 N211 C212 E247 | N205-T249 VanDerWaalsContact O-CA 3.25Å; N205-T249 WeakPolarHBondContact O-CA 3.16Å; D207-T249 HydrophobicContact CB-CG2 4.1Å; P210-T249 VanDerWaalsContact CB-O 3.27Å; P210-T249 WeakPolarHBondContact CB-O 3.3Å; N211-T249 PolarHBondContact N-OG1 3.24Å; N211-T249 PolarHBondContact OD1-N 3.09Å; N211-T249 PolarHBondContact OD1-O 3.43Å; N211-T249 PolarHBondContact OD1-OG1 3.25Å; C212-T249 WeakPolarHBondContact CA-O 3.44Å; C212-T249 VanDerWaalsContact CB-O 3.24Å; C212-T249 WeakPolarHBondContact CB-O 3.47Å; C212-T249 PolarHBondContact N-O 2.87Å; E247-T249 HydrophobicContact CG-CG2 3.96Å |
| 250 | V | 98.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 161.3 | 173.2 | -65 | 0 | 0 | 0 | 0 | 110.1 | V204 N205 H206 D207 C212 V214 L236 Y252 | V204-V250 HydrophobicContact CB-CG2 4.46Å; V204-V250 HydrophobicContact CG1-CB 4.38Å; V204-V250 HydrophobicContact CG1-CG1 3.87Å; V204-V250 HydrophobicContact CG1-CG2 3.95Å; N205-V250 PolarHBondContact O-N 3.38Å; H206-V250 CarbonylContact C-O 3.58Å; H206-V250 VanDerWaalsContact CA-O 3.24Å; H206-V250 WeakPolarHBondContact CA-O 3.3Å; H206-V250 PolarHBondContact ND1-O 3.4Å; D207-V250 PolarHBondContact N-O 3.08Å; C212-V250 HydrophobicContact CB-CG1 3.93Å; V214-V250 HydrophobicContact CG2-CB 4.34Å; V214-V250 HydrophobicContact CG2-CG1 3.74Å; L236-V250 HydrophobicContact CD1-CG1 3.5Å; L236-V250 VanDerWaalsContact CD1-CG1 3.5Å; V250-Y252 HydrophobicContact CG2-CD1 3.93Å; V250-Y252 HydrophobicContact CG2-CE1 3.7Å |
| 251 | S | 98.1 | Very high | 97.8 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | trans | -89.1 | 127.4 | 171.1 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | D207 I253 | D207-S251 WeakPolarHBondContact O-CA 3.28Å; S251-I253 VanDerWaalsContact C-N 3.34Å; S251-I253 PolarHBondContact OG-O 2.89Å | ||
| 252 | Y | 97 | Very high | 97.8 | Very high | 72 Ų | 72 | 42 Ų | 42 | 28% | 0.282 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -84.9 | -15.2 | 177.5 | -66.6 | -0.3 | 0 | 0 | 0 | 112.5 | V204 H206 V250 Y270 F272 | V204-Y252 PolarHBondContact O-OH 3.47Å; H206-Y252 HydrophobicContact CB-CD1 4.07Å; H206-Y252 HydrophobicContact CB-CD2 3.8Å; H206-Y252 HydrophobicContact CB-CE1 4.04Å; H206-Y252 HydrophobicContact CB-CE2 3.8Å; H206-Y252 HydrophobicContact CB-CG 3.94Å; H206-Y252 AromaticContact ND1-CG 3.87Å; H206-Y252 PolarHBondContact ND1-N 2.89Å; V250-Y252 HydrophobicContact CG2-CD1 3.93Å; V250-Y252 HydrophobicContact CG2-CE1 3.7Å; Y252-Y270 AromaticContact CD2-CD1 3.84Å; Y252-Y270 HydrophobicContact CD2-CD1 3.84Å; Y252-Y270 AromaticContact CD2-CD2 3.85Å; Y252-Y270 HydrophobicContact CD2-CD2 3.85Å; Y252-Y270 AromaticContact CD2-CE1 3.84Å; Y252-Y270 HydrophobicContact CD2-CE1 3.84Å; Y252-Y270 AromaticContact CD2-CE2 3.86Å; Y252-Y270 HydrophobicContact CD2-CE2 3.86Å; Y252-Y270 AromaticContact CD2-CG 3.84Å; Y252-Y270 HydrophobicContact CD2-CG 3.84Å; Y252-Y270 AromaticContact CD2-CZ 3.85Å; Y252-Y270 HydrophobicContact CE2-CD1 4.16Å; Y252-Y270 HydrophobicContact CE2-CE1 4.38Å; Y252-Y270 HydrophobicContact CE2-CG 4.38Å; Y252-Y270 HydrophobicContact CG-CE1 4.45Å; Y252-Y270 HydrophobicContact CG-CE2 4.21Å; Y252-F272 HydrophobicContact CD2-CE1 4.38Å; Y252-F272 HydrophobicContact CE2-CE1 4.43Å |
| 253 | I | 95.9 | Very high | 97.8 | Very high | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -133.8 | 168.3 | -177.5 | 58.1 | 165.3 | 0 | 0 | 0 | 109.9 | S251 R262 Q265 L266 Y270 | S251-I253 VanDerWaalsContact C-N 3.34Å; S251-I253 PolarHBondContact OG-O 2.89Å; I253-R262 HydrophobicContact CD1-CB 3.64Å; I253-R262 HydrophobicContact CD1-CG 3.87Å; I253-Q265 HydrophobicContact CD1-CB 4.43Å; I253-Q265 HydrophobicContact CG2-CB 4.42Å; I253-L266 HydrophobicContact CD1-CD1 4.05Å; I253-L266 HydrophobicContact CD1-CD2 4.16Å; I253-L266 HydrophobicContact CD1-CG 3.8Å; I253-L266 HydrophobicContact CG1-CD2 4.07Å; I253-L266 HydrophobicContact CG1-CG 4.27Å; I253-L266 HydrophobicContact CG2-CD2 4Å; I253-Y270 HydrophobicContact CG2-CE2 4.45Å |
| 254 | D | 94.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | trans | -72.2 | 145 | 171.4 | -174.8 | -96.9 | 0 | 0 | 0 | 111.6 | L256 Y385 | D254-L256 WeakPolarHBondContact OD1-CA 2.97Å; D254-L256 VanDerWaalsContact OD1-CB 3.25Å; D254-L256 WeakPolarHBondContact OD1-CB 3.29Å; D254-L256 PolarHBondContact OD1-N 2.88Å; D254-Y385 PolarHBondContact OD1-OH 2.86Å; D254-Y385 PolarHBondContact OD2-OH 3.45Å | ||
| 255 | F | 97.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -78 | -22.7 | -176.2 | -177.4 | -108.1 | 0 | 0 | 0 | 113.9 | C208 W209 N257 H278 K284 F288 L384 Y385 | C208-F255 HydrophobicContact CB-CD2 4.2Å; C208-F255 HydrophobicContact CB-CE2 4.3Å; C208-F255 WeakPolarHBondContact O-CD2 3.39Å; W209-F255 HydrophobicContact CE3-CE1 4.09Å; W209-F255 HydrophobicContact CE3-CE2 4.04Å; W209-F255 AromaticContact CE3-CZ 3.81Å; W209-F255 HydrophobicContact CE3-CZ 3.81Å; W209-F255 HydrophobicContact CZ3-CD1 4.34Å; W209-F255 AromaticContact CZ3-CE1 3.8Å; W209-F255 HydrophobicContact CZ3-CE1 3.8Å; W209-F255 AromaticContact CZ3-CZ 3.94Å; W209-F255 HydrophobicContact CZ3-CZ 3.94Å; F255-N257 PolarHBondContact O-N 3.48Å; F255-H278 HydrophobicContact CE2-CB 4.44Å; F255-H278 AromaticContact CE2-ND1 3.67Å; F255-H278 AromaticContact CZ-ND1 3.52Å; F255-K284 HydrophobicContact CE1-CG 4.18Å; F255-K284 HydrophobicContact CZ-CB 4.42Å; F255-K284 HydrophobicContact CZ-CG 4.03Å; F255-F288 AromaticContact CD1-CZ 3.87Å; F255-F288 HydrophobicContact CD1-CZ 3.87Å; F255-F288 HydrophobicContact CE1-CE2 4.29Å; F255-F288 AromaticContact CE1-CZ 3.58Å; F255-F288 HydrophobicContact CE1-CZ 3.58Å; F255-F288 HydrophobicContact CZ-CE2 4.41Å; F255-F288 HydrophobicContact CZ-CZ 4.14Å; F255-F288 WeakPolarHBondContact O-CZ 3.34Å; F255-L384 WeakPolarHBondContact CE1-O 3.45Å; F255-Y385 HydrophobicContact CB-CD1 4.17Å; F255-Y385 HydrophobicContact CB-CE1 4.02Å; F255-Y385 HydrophobicContact CD1-CD1 4.32Å |
| 256 | L | 96.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | trans | -77.5 | 60.5 | -174.1 | -61.7 | -179.3 | 0 | 0 | 0 | 113.1 | D254 F288 Y381 L384 Y385 | D254-L256 WeakPolarHBondContact OD1-CA 2.97Å; D254-L256 VanDerWaalsContact OD1-CB 3.25Å; D254-L256 WeakPolarHBondContact OD1-CB 3.29Å; D254-L256 PolarHBondContact OD1-N 2.88Å; L256-F288 HydrophobicContact CD2-CE1 3.81Å; L256-Y381 HydrophobicContact CD1-CD1 3.86Å; L256-Y381 HydrophobicContact CD1-CE1 3.32Å; L256-Y381 HydrophobicContact CD1-CE2 4.49Å; L256-L384 HydrophobicContact CD2-CB 3.83Å; L256-L384 HydrophobicContact CD2-CD1 3.88Å; L256-Y385 HydrophobicContact CD1-CD2 4.47Å; L256-Y385 HydrophobicContact CD1-CE1 4.44Å; L256-Y385 HydrophobicContact CD1-CE2 3.47Å; L256-Y385 VanDerWaalsContact CD1-CE2 3.47Å; L256-Y385 VanDerWaalsContact CD1-CZ 3.47Å; L256-Y385 WeakPolarHBondContact CD1-OH 3.42Å; L256-Y385 HydrophobicContact CD2-CD1 4.46Å; L256-Y385 HydrophobicContact CD2-CD2 4.16Å; L256-Y385 HydrophobicContact CD2-CE1 4.17Å; L256-Y385 HydrophobicContact CD2-CE2 3.86Å; L256-Y385 HydrophobicContact CD2-CG 4.47Å; L256-Y385 HydrophobicContact CG-CD2 4.45Å; L256-Y385 HydrophobicContact CG-CE1 3.83Å; L256-Y385 HydrophobicContact CG-CE2 3.67Å; L256-Y385 VanDerWaalsContact CG-OH 3.3Å; L256-Y385 WeakPolarHBondContact CG-OH 3.34Å | ||
| 257 | N | 96.9 | Very high | 97.6 | Very high | 42 Ų | 42 | 43.6 Ų | 43.6 | 23% | 0.225 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -147.7 | 156 | 170.4 | -78.5 | -67.7 | 0 | 0 | 0 | 108.4 | F255 E261 R262 F288 | F255-N257 PolarHBondContact O-N 3.48Å; N257-E261 HydrophobicContact CB-CB 4.19Å; N257-E261 HydrophobicContact CB-CG 3.96Å; N257-R262 HydrophobicContact CB-CG 3.82Å; N257-R262 PolarHBondContact O-NH1 3.42Å; N257-F288 WeakPolarHBondContact O-CE2 3.11Å |
| 258 | V | 97.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 17% | 0.17 | 23% | 0.228 | C | C | . | . | trans | -63.3 | 153.8 | 171.6 | -65 | 0 | 0 | 0 | 0 | 111.2 | E260 E261 R262 D285 F288 L289 | V258-E260 PolarHBondContact O-N 3.05Å; V258-E260 VanDerWaalsContact O-N 3.16Å; V258-E261 HydrophobicContact CG2-CB 3.87Å; V258-E261 PolarHBondContact O-N 3.03Å; V258-R262 PolarHBondContact O-N 3.14Å; V258-D285 WeakPolarHBondContact CA-OD1 3.49Å; V258-F288 HydrophobicContact CG1-CB 4.07Å; V258-L289 HydrophobicContact CG1-CD1 4.02Å; V258-L289 HydrophobicContact CG1-CD2 4.14Å; V258-L289 HydrophobicContact CG1-CG 3.82Å | ||
| 259 | S | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.7 | -37.1 | -176.1 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | R262 K263 D285 | S259-R262 PolarHBondContact O-N 3.14Å; S259-K263 WeakPolarHBondContact O-CG 3.41Å; S259-K263 PolarHBondContact O-N 3.5Å; S259-D285 VanDerWaalsContact CB-OD2 3.3Å; S259-D285 WeakPolarHBondContact CB-OD2 3.3Å; S259-D285 PolarHBondContact N-OD1 3Å; S259-D285 PolarHBondContact N-OD2 2.8Å; S259-D285 PolarHBondContact OG-OD2 2.98Å |
| 260 | E | 97.9 | Very high | 96.8 | Very high | 150 Ų | 150 | 55.3 Ų | 55.3 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63 | -46.2 | 176.5 | -175.1 | 180 | 167.1 | 0 | 0 | 112.1 | V258 K263 R264 | V258-E260 PolarHBondContact O-N 3.05Å; V258-E260 VanDerWaalsContact O-N 3.16Å; E260-K263 PolarHBondContact O-N 2.93Å; E260-R264 WeakPolarHBondContact O-CB 3.29Å; E260-R264 PolarHBondContact O-N 2.99Å |
| 261 | E | 97.6 | Very high | 96.7 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | 179.2 | 175.9 | 54 | -153 | 0 | 0 | 111.2 | N257 V258 R264 Q265 | N257-E261 HydrophobicContact CB-CB 4.19Å; N257-E261 HydrophobicContact CB-CG 3.96Å; V258-E261 HydrophobicContact CG2-CB 3.87Å; V258-E261 PolarHBondContact O-N 3.03Å; E261-R264 WeakPolarHBondContact O-CB 3.16Å; E261-R264 PolarHBondContact O-N 3.13Å; E261-R264 IonicContact OE1-CZ 2.69Å; E261-R264 IonicContact OE1-NE 3.76Å; E261-R264 PolarHBondContact OE1-NE 2.92Å; E261-R264 IonicContact OE1-NH2 3.77Å; E261-R264 PolarHBondContact OE1-NH2 3.1Å; E261-R264 IonicContact OE2-CZ 3.82Å; E261-R264 IonicContact OE2-NE 3.66Å; E261-R264 PolarHBondContact OE2-NE 3.36Å; E261-R264 IonicContact OE2-NH2 2.79Å; E261-Q265 WeakPolarHBondContact O-CG 3.31Å; E261-Q265 PolarHBondContact O-N 3.46Å; E261-Q265 WeakPolarHBondContact OE1-CG 3.33Å; E261-Q265 PolarHBondContact OE1-NE2 3.5Å |
| 262 | R | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 172.4 | -66.8 | -162.7 | -47.6 | -90.2 | 0.2 | 111.5 | C208 I253 N257 V258 S259 R264 Q265 L266 D285 | C208-R262 PolarHBondContact SG-NE 2.94Å; C208-R262 VanDerWaalsContact SG-NE 3.35Å; I253-R262 HydrophobicContact CD1-CB 3.64Å; I253-R262 HydrophobicContact CD1-CG 3.87Å; N257-R262 HydrophobicContact CB-CG 3.82Å; N257-R262 PolarHBondContact O-NH1 3.42Å; V258-R262 PolarHBondContact O-N 3.14Å; S259-R262 PolarHBondContact O-N 3.14Å; R262-R264 VanDerWaalsContact C-N 3.34Å; R262-R264 PolarHBondContact O-N 3.48Å; R262-Q265 PolarHBondContact O-N 2.68Å; R262-L266 WeakPolarHBondContact O-CB 3.3Å; R262-L266 VanDerWaalsContact O-CG 3.26Å; R262-L266 WeakPolarHBondContact O-CG 3.49Å; R262-L266 PolarHBondContact O-N 3.27Å; R262-D285 IonicContact NH1-OD1 2.7Å |
| 263 | K | 98.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 27% | 0.27 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 175.3 | -74.7 | 175 | -175.6 | 178.8 | 0 | 112 | S259 E260 Q265 L266 K267 C274 C279 | S259-K263 WeakPolarHBondContact O-CG 3.41Å; S259-K263 PolarHBondContact O-N 3.5Å; E260-K263 PolarHBondContact O-N 2.93Å; K263-Q265 PolarHBondContact O-N 3.4Å; K263-L266 PolarHBondContact O-N 3.46Å; K263-K267 VanDerWaalsContact O-CB 3.24Å; K263-K267 WeakPolarHBondContact O-CB 3.42Å; K263-K267 PolarHBondContact O-N 3.34Å; K263-C274 VanDerWaalsContact CE-O 3.27Å; K263-C274 WeakPolarHBondContact CE-O 3.22Å; K263-C274 HydrophobicContact CG-CB 4.33Å; K263-C279 VanDerWaalsContact CE-CB 3.49Å; K263-C279 WeakPolarHBondContact CE-O 3.35Å; K263-C279 PolarHBondContact NZ-O 3.16Å |
| 264 | R | 98.2 | Very high | 96.7 | Very high | 128 Ų | 128 | 58.1 Ų | 58.1 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 177.5 | -168.8 | -164.3 | 68 | 74.6 | 2 | 111.7 | E260 E261 R262 K268 | E260-R264 WeakPolarHBondContact O-CB 3.29Å; E260-R264 PolarHBondContact O-N 2.99Å; E261-R264 WeakPolarHBondContact O-CB 3.16Å; E261-R264 PolarHBondContact O-N 3.13Å; E261-R264 IonicContact OE1-CZ 2.69Å; E261-R264 IonicContact OE1-NE 3.76Å; E261-R264 PolarHBondContact OE1-NE 2.92Å; E261-R264 IonicContact OE1-NH2 3.77Å; E261-R264 PolarHBondContact OE1-NH2 3.1Å; E261-R264 IonicContact OE2-CZ 3.82Å; E261-R264 IonicContact OE2-NE 3.66Å; E261-R264 PolarHBondContact OE2-NE 3.36Å; E261-R264 IonicContact OE2-NH2 2.79Å; R262-R264 VanDerWaalsContact C-N 3.34Å; R262-R264 PolarHBondContact O-N 3.48Å; R264-K268 WeakPolarHBondContact O-CB 3.3Å; R264-K268 PolarHBondContact O-N 3.49Å |
| 265 | Q | 97.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 176.9 | -69.8 | 175.8 | 28.1 | 0 | 0 | 111.6 | I253 E261 R262 K263 K268 Q269 | I253-Q265 HydrophobicContact CD1-CB 4.43Å; I253-Q265 HydrophobicContact CG2-CB 4.42Å; E261-Q265 WeakPolarHBondContact O-CG 3.31Å; E261-Q265 PolarHBondContact O-N 3.46Å; E261-Q265 WeakPolarHBondContact OE1-CG 3.33Å; E261-Q265 PolarHBondContact OE1-NE2 3.5Å; R262-Q265 PolarHBondContact O-N 2.68Å; K263-Q265 PolarHBondContact O-N 3.4Å; Q265-K268 PolarHBondContact O-N 3.49Å; Q265-Q269 WeakPolarHBondContact O-CB 3.43Å; Q265-Q269 PolarHBondContact O-N 3.18Å |
| 266 | L | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 179.3 | -69 | 166.1 | 0 | 0 | 0 | 112.2 | H206 I253 R262 K263 K268 Q269 Y270 Y271 F272 C274 | H206-L266 VanDerWaalsContact CD2-CD1 3.49Å; H206-L266 WeakPolarHBondContact CD2-CD1 3.47Å; H206-L266 VanDerWaalsContact NE2-CD1 3.29Å; H206-L266 WeakPolarHBondContact NE2-CD1 3.44Å; I253-L266 HydrophobicContact CD1-CD1 4.05Å; I253-L266 HydrophobicContact CD1-CD2 4.16Å; I253-L266 HydrophobicContact CD1-CG 3.8Å; I253-L266 HydrophobicContact CG1-CD2 4.07Å; I253-L266 HydrophobicContact CG1-CG 4.27Å; I253-L266 HydrophobicContact CG2-CD2 4Å; R262-L266 WeakPolarHBondContact O-CB 3.3Å; R262-L266 VanDerWaalsContact O-CG 3.26Å; R262-L266 WeakPolarHBondContact O-CG 3.49Å; R262-L266 PolarHBondContact O-N 3.27Å; K263-L266 PolarHBondContact O-N 3.46Å; L266-K268 VanDerWaalsContact C-N 3.35Å; L266-K268 PolarHBondContact O-N 2.82Å; L266-Q269 PolarHBondContact O-N 3.05Å; L266-Y270 HydrophobicContact CD2-CD2 3.9Å; L266-Y270 HydrophobicContact CD2-CE2 4.29Å; L266-Y270 CarbonylContact O-C 3.58Å; L266-Y270 VanDerWaalsContact O-CA 3.31Å; L266-Y270 WeakPolarHBondContact O-CA 3.45Å; L266-Y270 WeakPolarHBondContact O-CB 3.25Å; L266-Y270 PolarHBondContact O-N 2.75Å; L266-Y271 PolarHBondContact O-N 2.93Å; L266-F272 HydrophobicContact CB-CE1 4.18Å; L266-F272 HydrophobicContact CB-CZ 4.05Å; L266-F272 HydrophobicContact CD1-CE2 4.41Å; L266-F272 HydrophobicContact CD1-CZ 4.08Å; L266-F272 HydrophobicContact CD2-CE1 4.09Å; L266-F272 HydrophobicContact CD2-CZ 3.83Å; L266-F272 HydrophobicContact CG-CZ 4.2Å; L266-C274 HydrophobicContact CD1-CB 3.59Å |
| 267 | K | 96.7 | Very high | 97 | Very high | 106 Ų | 106 | 63.2 Ų | 63.2 | 46% | 0.461 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 177 | -170.7 | 175.6 | -163.4 | 130.7 | 0 | 111.9 | K263 Y271 F272 D273 | K263-K267 VanDerWaalsContact O-CB 3.24Å; K263-K267 WeakPolarHBondContact O-CB 3.42Å; K263-K267 PolarHBondContact O-N 3.34Å; K267-Y271 VanDerWaalsContact O-CA 3.3Å; K267-Y271 WeakPolarHBondContact O-CA 3.31Å; K267-Y271 PolarHBondContact O-N 3.23Å; K267-Y271 VanDerWaalsContact O-N 3.13Å; K267-F272 WeakPolarHBondContact CA-O 3.38Å; K267-F272 PolarHBondContact N-O 3.16Å; K267-D273 WeakPolarHBondContact CD-OD1 3.43Å; K267-D273 VanDerWaalsContact NZ-CG 3.31Å; K267-D273 IonicContact NZ-OD1 2.85Å; K267-D273 PolarHBondContact NZ-OD1 2.95Å; K267-D273 IonicContact NZ-OD2 3.93Å; K267-D273 PolarHBondContact NZ-OD2 3.48Å |
| 268 | K | 93.8 | Very high | 97.1 | Very high | 152 Ų | 152 | 62 Ų | 62 | 66% | 0.661 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.4 | -45.1 | 178.8 | -175.8 | 179.2 | 177.6 | -177.6 | 0 | 112.2 | R264 Q265 L266 | R264-K268 WeakPolarHBondContact O-CB 3.3Å; R264-K268 PolarHBondContact O-N 3.49Å; Q265-K268 PolarHBondContact O-N 3.49Å; L266-K268 VanDerWaalsContact C-N 3.35Å; L266-K268 PolarHBondContact O-N 2.82Å |
| 269 | Q | 92.1 | Very high | 97.1 | Very high | 96 Ų | 96 | 60.7 Ų | 60.7 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -89.7 | -36.1 | -172.8 | -177.1 | 63.7 | 36.3 | 0 | 0 | 113.4 | N178 Q265 L266 | N178-Q269 PolarHBondContact O-NE2 3.17Å; Q265-Q269 WeakPolarHBondContact O-CB 3.43Å; Q265-Q269 PolarHBondContact O-N 3.18Å; L266-Q269 PolarHBondContact O-N 3.05Å |
| 270 | Y | 94.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 66.7 Ų | 66.7 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -123.9 | 5.2 | -168.6 | -56 | -77.5 | 0 | 0 | 0 | 113.2 | Y252 I253 L266 F272 | Y252-Y270 AromaticContact CD2-CD1 3.84Å; Y252-Y270 HydrophobicContact CD2-CD1 3.84Å; Y252-Y270 AromaticContact CD2-CD2 3.85Å; Y252-Y270 HydrophobicContact CD2-CD2 3.85Å; Y252-Y270 AromaticContact CD2-CE1 3.84Å; Y252-Y270 HydrophobicContact CD2-CE1 3.84Å; Y252-Y270 AromaticContact CD2-CE2 3.86Å; Y252-Y270 HydrophobicContact CD2-CE2 3.86Å; Y252-Y270 AromaticContact CD2-CG 3.84Å; Y252-Y270 HydrophobicContact CD2-CG 3.84Å; Y252-Y270 AromaticContact CD2-CZ 3.85Å; Y252-Y270 HydrophobicContact CE2-CD1 4.16Å; Y252-Y270 HydrophobicContact CE2-CE1 4.38Å; Y252-Y270 HydrophobicContact CE2-CG 4.38Å; Y252-Y270 HydrophobicContact CG-CE1 4.45Å; Y252-Y270 HydrophobicContact CG-CE2 4.21Å; I253-Y270 HydrophobicContact CG2-CE2 4.45Å; L266-Y270 HydrophobicContact CD2-CD2 3.9Å; L266-Y270 HydrophobicContact CD2-CE2 4.29Å; L266-Y270 CarbonylContact O-C 3.58Å; L266-Y270 VanDerWaalsContact O-CA 3.31Å; L266-Y270 WeakPolarHBondContact O-CA 3.45Å; L266-Y270 WeakPolarHBondContact O-CB 3.25Å; L266-Y270 PolarHBondContact O-N 2.75Å; Y270-F272 VanDerWaalsContact C-N 3.27Å; Y270-F272 HydrophobicContact CG-CE1 4.32Å; Y270-F272 WeakPolarHBondContact O-CD1 3.37Å; Y270-F272 PolarHBondContact O-N 3.08Å; Y270-F272 VanDerWaalsContact O-N 3.17Å |
| 271 | Y | 95.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 65.8 Ų | 65.8 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 60.8 | 28 | 167.9 | -56.3 | -89.4 | 0 | 0 | 0 | 115.6 | H135 H138 F139 E143 L266 K267 | H135-Y271 HydrophobicContact CB-CD1 4.42Å; H135-Y271 HydrophobicContact CB-CD2 3.36Å; H135-Y271 HydrophobicContact CB-CE2 3.76Å; H135-Y271 HydrophobicContact CB-CG 3.74Å; H135-Y271 AromaticContact CD2-CD2 3.83Å; H135-Y271 AromaticContact CG-CD2 3.67Å; H135-Y271 AromaticContact CG-CG 3.91Å; H138-Y271 HydrophobicContact CB-CD1 3.44Å; H138-Y271 VanDerWaalsContact CB-CD1 3.44Å; H138-Y271 HydrophobicContact CB-CE1 3.63Å; H138-Y271 HydrophobicContact CB-CG 4.2Å; H138-Y271 WeakPolarHBondContact O-CE1 3.38Å; F139-Y271 HydrophobicContact CD1-CE2 4.35Å; F139-Y271 AromaticContact CD1-CZ 3.83Å; F139-Y271 WeakPolarHBondContact CD1-OH 3.44Å; F139-Y271 HydrophobicContact CE1-CE2 4.18Å; E143-Y271 PolarHBondContact OE1-OH 2.86Å; E143-Y271 PolarHBondContact OE2-OH 3.43Å; L266-Y271 PolarHBondContact O-N 2.93Å; K267-Y271 VanDerWaalsContact O-CA 3.3Å; K267-Y271 WeakPolarHBondContact O-CA 3.31Å; K267-Y271 PolarHBondContact O-N 3.23Å; K267-Y271 VanDerWaalsContact O-N 3.13Å |
| 272 | F | 96.3 | Very high | 97.2 | Very high | 65 Ų | 65 | 69.5 Ų | 69.5 | 29% | 0.285 | 32% | 0.316 | S | S | . | . | trans | -135.4 | 156.1 | 175.6 | 78.6 | -85.8 | 0 | 0 | 0 | 112.8 | H206 Y252 L266 K267 Y270 C274 | H206-F272 HydrophobicContact CB-CE1 4.4Å; H206-F272 HydrophobicContact CB-CE2 4.39Å; H206-F272 HydrophobicContact CB-CZ 3.64Å; H206-F272 AromaticContact CD2-CZ 3.64Å; H206-F272 AromaticContact CG-CZ 3.85Å; Y252-F272 HydrophobicContact CD2-CE1 4.38Å; Y252-F272 HydrophobicContact CE2-CE1 4.43Å; L266-F272 HydrophobicContact CB-CE1 4.18Å; L266-F272 HydrophobicContact CB-CZ 4.05Å; L266-F272 HydrophobicContact CD1-CE2 4.41Å; L266-F272 HydrophobicContact CD1-CZ 4.08Å; L266-F272 HydrophobicContact CD2-CE1 4.09Å; L266-F272 HydrophobicContact CD2-CZ 3.83Å; L266-F272 HydrophobicContact CG-CZ 4.2Å; K267-F272 WeakPolarHBondContact CA-O 3.38Å; K267-F272 PolarHBondContact N-O 3.16Å; Y270-F272 VanDerWaalsContact C-N 3.27Å; Y270-F272 HydrophobicContact CG-CE1 4.32Å; Y270-F272 WeakPolarHBondContact O-CD1 3.37Å; Y270-F272 PolarHBondContact O-N 3.08Å; Y270-F272 VanDerWaalsContact O-N 3.17Å; F272-C274 HydrophobicContact CD2-CB 4.49Å; F272-C274 HydrophobicContact CE2-CB 3.82Å | ||
| 273 | D | 96.9 | Very high | 97.2 | Very high | 92 Ų | 92 | 72.2 Ų | 72.2 | 49% | 0.492 | 33% | 0.33 | S | S | . | . | trans | -96.8 | 114.7 | 172.9 | -71.4 | -62.1 | 0 | 0 | 0 | 109.7 | K267 T275 | K267-D273 WeakPolarHBondContact CD-OD1 3.43Å; K267-D273 VanDerWaalsContact NZ-CG 3.31Å; K267-D273 IonicContact NZ-OD1 2.85Å; K267-D273 PolarHBondContact NZ-OD1 2.95Å; K267-D273 IonicContact NZ-OD2 3.93Å; K267-D273 PolarHBondContact NZ-OD2 3.48Å; D273-T275 PolarHBondContact O-N 3.27Å | ||
| 274 | C | 98.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | trans | -68.3 | 128.6 | -176.4 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | K263 L266 F272 | K263-C274 VanDerWaalsContact CE-O 3.27Å; K263-C274 WeakPolarHBondContact CE-O 3.22Å; K263-C274 HydrophobicContact CG-CB 4.33Å; L266-C274 HydrophobicContact CD1-CB 3.59Å; F272-C274 HydrophobicContact CD2-CB 4.49Å; F272-C274 HydrophobicContact CE2-CB 3.82Å | ||
| 275 | T | 97.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 66.4 Ų | 66.4 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | trans | -114 | 13.4 | -177.3 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | D273 Q280 | D273-T275 PolarHBondContact O-N 3.27Å; T275-Q280 WeakPolarHBondContact O-CG 3.29Å; T275-Q280 PolarHBondContact O-NE2 2.77Å | ||
| 276 | C | 98.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.074 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -60.4 | 160.7 | 176.3 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | D207 H278 C279 Q280 | D207-C276 WeakPolarHBondContact OD1-CB 3.46Å; D207-C276 WeakPolarHBondContact OD2-CB 3.29Å; C276-H278 VanDerWaalsContact C-N 3.26Å; C276-H278 PolarHBondContact O-N 3.35Å; C276-C279 PolarHBondContact O-N 2.84Å; C276-C279 VanDerWaalsContact SG-CB 3.57Å; C276-C279 PolarHBondContact SG-N 3.19Å; C276-Q280 PolarHBondContact O-N 2.68Å |
| 277 | E | 98.5 | Very high | 97.2 | Very high | 101 Ų | 101 | 72.1 Ų | 72.1 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.3 | -43.1 | -178.4 | -175 | 177.2 | -155.8 | 0 | 0 | 112.2 | C279 Q280 K281 L283 | E277-C279 VanDerWaalsContact C-N 3.26Å; E277-C279 PolarHBondContact O-N 3.09Å; E277-Q280 PolarHBondContact O-N 3.22Å; E277-K281 HydrophobicContact CG-CD 3.75Å; E277-K281 HydrophobicContact CG-CG 4.32Å; E277-K281 WeakPolarHBondContact O-CB 3.29Å; E277-K281 PolarHBondContact O-N 3.2Å; E277-K281 WeakPolarHBondContact OE1-CE 3.47Å; E277-K281 IonicContact OE1-NZ 2.79Å; E277-K281 PolarHBondContact OE1-NZ 3.26Å; E277-L283 HydrophobicContact CG-CD1 4.02Å |
| 278 | H | 98.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 67.1 Ų | 67.1 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -32.2 | 178.8 | -79.7 | -105.3 | 0 | 0 | 0 | 113.3 | C208 W209 F255 C276 K282 L283 | C208-H278 HydrophobicContact CB-CB 4.34Å; W209-H278 WeakPolarHBondContact CB-CD2 3.41Å; W209-H278 VanDerWaalsContact CB-NE2 3.27Å; W209-H278 WeakPolarHBondContact CB-NE2 3.06Å; W209-H278 AromaticContact CD1-NE2 3.81Å; W209-H278 AromaticContact CD2-CE1 3.51Å; W209-H278 AromaticContact CD2-NE2 3.41Å; W209-H278 AromaticContact CE3-CE1 3.39Å; W209-H278 AromaticContact CE3-NE2 3.8Å; W209-H278 AromaticContact CG-CD2 3.75Å; W209-H278 AromaticContact CG-CE1 3.77Å; W209-H278 AromaticContact CG-NE2 3.2Å; F255-H278 HydrophobicContact CE2-CB 4.44Å; F255-H278 AromaticContact CE2-ND1 3.67Å; F255-H278 AromaticContact CZ-ND1 3.52Å; C276-H278 VanDerWaalsContact C-N 3.26Å; C276-H278 PolarHBondContact O-N 3.35Å; H278-K282 CarbonylContact O-C 3.51Å; H278-K282 WeakPolarHBondContact O-CA 3.3Å; H278-K282 PolarHBondContact O-N 2.85Å; H278-L283 HydrophobicContact CB-CB 4.46Å; H278-L283 PolarHBondContact O-N 3.45Å; H278-L283 VanDerWaalsContact O-N 3.1Å |
| 279 | C | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -86.2 | -30 | 179.2 | -87.3 | 0 | 0 | 0 | 0 | 113.3 | K263 C276 E277 | K263-C279 VanDerWaalsContact CE-CB 3.49Å; K263-C279 WeakPolarHBondContact CE-O 3.35Å; K263-C279 PolarHBondContact NZ-O 3.16Å; C276-C279 PolarHBondContact O-N 2.84Å; C276-C279 VanDerWaalsContact SG-CB 3.57Å; C276-C279 PolarHBondContact SG-N 3.19Å; E277-C279 VanDerWaalsContact C-N 3.26Å; E277-C279 PolarHBondContact O-N 3.09Å |
| 280 | Q | 98.3 | Very high | 97.6 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 60% | 0.603 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -79.1 | -46.2 | 177 | -72.7 | -176.1 | -17.8 | 0 | 0 | 111.8 | T275 C276 E277 K282 | T275-Q280 WeakPolarHBondContact O-CG 3.29Å; T275-Q280 PolarHBondContact O-NE2 2.77Å; C276-Q280 PolarHBondContact O-N 2.68Å; E277-Q280 PolarHBondContact O-N 3.22Å; Q280-K282 VanDerWaalsContact C-N 3.34Å |
| 281 | K | 98.4 | Very high | 97.8 | Very high | 131 Ų | 131 | 58.8 Ų | 58.8 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 0.3 | -178.7 | -60.5 | -177.4 | -175.7 | 173.7 | 0 | 113.5 | E277 L283 | E277-K281 HydrophobicContact CG-CD 3.75Å; E277-K281 HydrophobicContact CG-CG 4.32Å; E277-K281 WeakPolarHBondContact O-CB 3.29Å; E277-K281 PolarHBondContact O-N 3.2Å; E277-K281 WeakPolarHBondContact OE1-CE 3.47Å; E277-K281 IonicContact OE1-NZ 2.79Å; E277-K281 PolarHBondContact OE1-NZ 3.26Å; K281-L283 HydrophobicContact CB-CD2 3.78Å; K281-L283 HydrophobicContact CB-CG 3.91Å; K281-L283 PolarHBondContact O-N 3.34Å |
| 282 | K | 98.3 | Very high | 97.7 | Very high | 129 Ų | 129 | 59.8 Ų | 59.8 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 38.3 | -176.9 | -58.2 | -170.3 | 176.7 | -173.5 | 0 | 112.7 | H278 Q280 K284 D285 | H278-K282 CarbonylContact O-C 3.51Å; H278-K282 WeakPolarHBondContact O-CA 3.3Å; H278-K282 PolarHBondContact O-N 2.85Å; Q280-K282 VanDerWaalsContact C-N 3.34Å; K282-K284 PolarHBondContact O-N 3.11Å; K282-D285 HydrophobicContact CB-CB 4.22Å; K282-D285 WeakPolarHBondContact CB-OD2 3.48Å; K282-D285 WeakPolarHBondContact O-CB 3.5Å; K282-D285 PolarHBondContact O-N 2.73Å |
| 283 | L | 98.4 | Very high | 97.4 | Very high | 57 Ų | 57 | 62.3 Ų | 62.3 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 133.8 | -177.2 | -58.5 | -179.1 | 0 | 0 | 0 | 110 | E277 H278 K281 D285 | E277-L283 HydrophobicContact CG-CD1 4.02Å; H278-L283 HydrophobicContact CB-CB 4.46Å; H278-L283 PolarHBondContact O-N 3.45Å; H278-L283 VanDerWaalsContact O-N 3.1Å; K281-L283 HydrophobicContact CB-CD2 3.78Å; K281-L283 HydrophobicContact CB-CG 3.91Å; K281-L283 PolarHBondContact O-N 3.34Å; L283-D285 VanDerWaalsContact C-N 3.25Å; L283-D285 PolarHBondContact O-N 3.37Å |
| 284 | K | 98 | Very high | 97 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -6.6 | -176.8 | -49.4 | -66.8 | -173.9 | 89.8 | 0 | 115.5 | F255 K282 D286 L287 F288 K383 L384 | F255-K284 HydrophobicContact CE1-CG 4.18Å; F255-K284 HydrophobicContact CZ-CB 4.42Å; F255-K284 HydrophobicContact CZ-CG 4.03Å; K282-K284 PolarHBondContact O-N 3.11Å; K284-D286 PolarHBondContact O-N 3.43Å; K284-L287 HydrophobicContact CD-CD1 3.82Å; K284-L287 PolarHBondContact O-N 3.41Å; K284-F288 HydrophobicContact CB-CD2 4.14Å; K284-F288 HydrophobicContact CB-CE2 3.78Å; K284-F288 HydrophobicContact CB-CZ 4.07Å; K284-F288 VanDerWaalsContact O-CD2 3.23Å; K284-F288 WeakPolarHBondContact O-CD2 3.12Å; K284-F288 VanDerWaalsContact O-CG 3.29Å; K284-F288 WeakPolarHBondContact O-CG 3.49Å; K284-F288 PolarHBondContact O-N 3.26Å; K284-K383 PolarHBondContact NZ-O 3.07Å; K284-L384 PolarHBondContact NZ-O 3.06Å |
| 285 | D | 98.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -34.3 | -179.9 | -74.9 | 0.9 | 0 | 0 | 0 | 112.1 | V258 S259 R262 K282 L283 F288 L289 | V258-D285 WeakPolarHBondContact CA-OD1 3.49Å; S259-D285 VanDerWaalsContact CB-OD2 3.3Å; S259-D285 WeakPolarHBondContact CB-OD2 3.3Å; S259-D285 PolarHBondContact N-OD1 3Å; S259-D285 PolarHBondContact N-OD2 2.8Å; S259-D285 PolarHBondContact OG-OD2 2.98Å; R262-D285 IonicContact NH1-OD1 2.7Å; K282-D285 HydrophobicContact CB-CB 4.22Å; K282-D285 WeakPolarHBondContact CB-OD2 3.48Å; K282-D285 WeakPolarHBondContact O-CB 3.5Å; K282-D285 PolarHBondContact O-N 2.73Å; L283-D285 VanDerWaalsContact C-N 3.25Å; L283-D285 PolarHBondContact O-N 3.37Å; D285-F288 PolarHBondContact O-N 3.37Å; D285-L289 PolarHBondContact O-N 3.26Å |
| 286 | D | 97 | Very high | 96.3 | Very high | 114 Ų | 114 | 73.4 Ų | 73.4 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.5 | -40.3 | 172.4 | 63.2 | -47.8 | 0 | 0 | 0 | 112.5 | K284 L289 G290 | K284-D286 PolarHBondContact O-N 3.43Å; D286-L289 CarbonylContact O-C 3.53Å; D286-G290 VanDerWaalsContact O-CA 3.28Å; D286-G290 WeakPolarHBondContact O-CA 3.45Å; D286-G290 PolarHBondContact O-N 3.01Å |
| 287 | L | 97.9 | Very high | 96.2 | Very high | 59 Ų | 59 | 74 Ų | 74 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.2 | -40.4 | 175.3 | -62.9 | -178 | 0 | 0 | 0 | 111.8 | K284 L289 G290 T346 L384 | K284-L287 HydrophobicContact CD-CD1 3.82Å; K284-L287 PolarHBondContact O-N 3.41Å; L287-L289 VanDerWaalsContact C-N 3.28Å; L287-L289 PolarHBondContact O-N 2.98Å; L287-G290 PolarHBondContact O-N 2.99Å; L287-T346 CarbonylContact O-C 3.59Å; L287-T346 WeakPolarHBondContact O-CB 3.28Å; L287-T346 VanDerWaalsContact O-O 3.11Å; L287-T346 PolarHBondContact O-OG1 2.78Å; L287-L384 HydrophobicContact CB-CD2 3.69Å; L287-L384 HydrophobicContact CD1-CD2 4.33Å |
| 288 | F | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 178.6 | -71.7 | -38.9 | 0 | 0 | 0 | 112.7 | F255 L256 N257 V258 K284 D285 N347 I348 L384 | F255-F288 AromaticContact CD1-CZ 3.87Å; F255-F288 HydrophobicContact CD1-CZ 3.87Å; F255-F288 HydrophobicContact CE1-CE2 4.29Å; F255-F288 AromaticContact CE1-CZ 3.58Å; F255-F288 HydrophobicContact CE1-CZ 3.58Å; F255-F288 HydrophobicContact CZ-CE2 4.41Å; F255-F288 HydrophobicContact CZ-CZ 4.14Å; F255-F288 WeakPolarHBondContact O-CZ 3.34Å; L256-F288 HydrophobicContact CD2-CE1 3.81Å; N257-F288 WeakPolarHBondContact O-CE2 3.11Å; V258-F288 HydrophobicContact CG1-CB 4.07Å; K284-F288 HydrophobicContact CB-CD2 4.14Å; K284-F288 HydrophobicContact CB-CE2 3.78Å; K284-F288 HydrophobicContact CB-CZ 4.07Å; K284-F288 VanDerWaalsContact O-CD2 3.23Å; K284-F288 WeakPolarHBondContact O-CD2 3.12Å; K284-F288 VanDerWaalsContact O-CG 3.29Å; K284-F288 WeakPolarHBondContact O-CG 3.49Å; K284-F288 PolarHBondContact O-N 3.26Å; D285-F288 PolarHBondContact O-N 3.37Å; F288-N347 CarbonylContact O-C 3.33Å; F288-N347 VanDerWaalsContact O-CA 3.29Å; F288-N347 WeakPolarHBondContact O-CA 3.42Å; F288-I348 HydrophobicContact CB-CG2 3.67Å; F288-I348 HydrophobicContact CD1-CG2 3.28Å; F288-I348 HydrophobicContact CE1-CG2 4.1Å; F288-I348 HydrophobicContact CG-CG2 3.73Å; F288-I348 PolarHBondContact O-N 3.38Å; F288-L384 HydrophobicContact CD1-CD1 3.88Å; F288-L384 HydrophobicContact CD1-CD2 3.66Å; F288-L384 HydrophobicContact CD1-CG 4.27Å; F288-L384 HydrophobicContact CE1-CB 4.01Å; F288-L384 HydrophobicContact CE1-CD1 3.84Å; F288-L384 HydrophobicContact CE1-CD2 3.68Å; F288-L384 HydrophobicContact CE1-CG 4.03Å |
| 289 | L | 97.4 | Very high | 95.9 | Very high | 74 Ų | 74 | 79.1 Ų | 79.1 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 22.3 | 173.6 | -60 | -179.8 | 0 | 0 | 0 | 112.1 | V258 D285 D286 L287 V291 I306 Y349 | V258-L289 HydrophobicContact CG1-CD1 4.02Å; V258-L289 HydrophobicContact CG1-CD2 4.14Å; V258-L289 HydrophobicContact CG1-CG 3.82Å; D285-L289 PolarHBondContact O-N 3.26Å; D286-L289 CarbonylContact O-C 3.53Å; L287-L289 VanDerWaalsContact C-N 3.28Å; L287-L289 PolarHBondContact O-N 2.98Å; L289-V291 PolarHBondContact O-N 3.41Å; L289-I306 HydrophobicContact CD2-CD1 4.44Å; L289-Y349 HydrophobicContact CD2-CE2 4.32Å |
| 290 | G | 96.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 83.9 Ų | 83.9 | 11% | 0.113 | 43% | 0.426 | C | S | . | . | trans | -55.8 | 137.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D286 L287 A344 N347 | D286-G290 VanDerWaalsContact O-CA 3.28Å; D286-G290 WeakPolarHBondContact O-CA 3.45Å; D286-G290 PolarHBondContact O-N 3.01Å; L287-G290 PolarHBondContact O-N 2.99Å; G290-A344 PolarHBondContact O-N 2.73Å; G290-N347 PolarHBondContact O-ND2 2.87Å; G290-N347 VanDerWaalsContact O-ND2 3.09Å | ||
| 291 | V | 97.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 80.6 Ų | 80.6 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 161 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | L289 P297 V302 V342 | L289-V291 PolarHBondContact O-N 3.41Å; V291-P297 HydrophobicContact CB-CG 3.88Å; V291-P297 HydrophobicContact CG1-CG 4.28Å; V291-P297 HydrophobicContact CG2-CG 4.37Å; V291-V302 HydrophobicContact CG1-CG1 4.13Å; V291-V302 HydrophobicContact CG1-CG2 3.71Å; V291-V342 CarbonylContact C-O 3.51Å; V291-V342 VanDerWaalsContact CA-O 3.23Å; V291-V342 WeakPolarHBondContact CA-O 3.48Å; V291-V342 WeakPolarHBondContact CB-O 3.44Å |
| 292 | K | 95.3 | Very high | 95.7 | Very high | 70 Ų | 70 | 75.6 Ų | 75.6 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | trans | -64.6 | 140.8 | 172.5 | -69.8 | -75.3 | -175.1 | 175 | 0 | 110 | K296 P297 E340 V342 F343 | K292-K296 WeakPolarHBondContact O-CA 3.31Å; K292-P297 WeakPolarHBondContact O-CD 3.43Å; K292-E340 WeakPolarHBondContact CE-O 3.36Å; K292-V342 PolarHBondContact N-O 3.23Å; K292-F343 WeakPolarHBondContact CE-O 3.33Å | ||
| 293 | D | 90 | Very high | 95.6 | Very high | 118 Ų | 118 | 75 Ų | 75 | 63% | 0.631 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -86.9 | -26.2 | 175.8 | -70.4 | -46.5 | 0 | 0 | 0 | 112.8 | K296 | D293-K296 WeakPolarHBondContact O-CB 3.37Å; D293-K296 PolarHBondContact O-N 3.32Å |
| 294 | N | 87.8 | Confident | 95.6 | Very high | 153 Ų | 153 | 78.6 Ų | 78.6 | 82% | 0.818 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.3 | 109.7 | -177.4 | -77.3 | -43.4 | 0 | 0 | 0 | 111.4 | ||
| 295 | P | 88.3 | Confident | 95.6 | Very high | 102 Ų | 102 | 77.1 Ų | 77.1 | 66% | 0.662 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -69.2 | 142.3 | -10.8 | 30.9 | -33.6 | 0 | 0 | 0 | 111.1 | P297 | P295-P297 WeakPolarHBondContact O-CD 3.34Š|
| 296 | K | 93.1 | Very high | 95.6 | Very high | 157 Ų | 157 | 77.6 Ų | 77.6 | 68% | 0.683 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 119.4 | 175.5 | -171.4 | 168.9 | -176.4 | 167 | 0 | 110.5 | K292 D293 | K292-K296 WeakPolarHBondContact O-CA 3.31Å; D293-K296 WeakPolarHBondContact O-CB 3.37Å; D293-K296 PolarHBondContact O-N 3.32Å |
| 297 | P | 95.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 76.7 Ų | 76.7 | 16% | 0.156 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 150 | 178.1 | 29.8 | -34.4 | 0 | 0 | 0 | 111.2 | V291 K292 P295 V301 V302 V342 | V291-P297 HydrophobicContact CB-CG 3.88Å; V291-P297 HydrophobicContact CG1-CG 4.28Å; V291-P297 HydrophobicContact CG2-CG 4.37Å; K292-P297 WeakPolarHBondContact O-CD 3.43Å; P295-P297 WeakPolarHBondContact O-CD 3.34Å; P297-V301 HydrophobicContact CB-CB 4.46Å; P297-V301 HydrophobicContact CB-CG1 4.12Å; P297-V302 HydrophobicContact CB-CG2 4.04Å; P297-V302 HydrophobicContact CG-CG2 3.79Å; P297-V342 HydrophobicContact CB-CG1 3.99Å; P297-V342 HydrophobicContact CG-CG1 3.96Å |
| 298 | S | 96.2 | Very high | 95.7 | Very high | 68 Ų | 68 | 77.2 Ų | 77.2 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 158.5 | 173.4 | 73.2 | 0 | 0 | 0 | 0 | 111 | E300 V301 V302 | S298-E300 VanDerWaalsContact C-N 3.26Å; S298-E300 PolarHBondContact O-N 3.49Å; S298-V301 PolarHBondContact O-N 2.99Å; S298-V301 VanDerWaalsContact OG-CG2 3.31Å; S298-V301 WeakPolarHBondContact OG-CG2 3.26Å; S298-V301 PolarHBondContact OG-N 3.45Å; S298-V302 WeakPolarHBondContact O-CG2 3.44Å; S298-V302 PolarHBondContact O-N 3.18Å |
| 299 | Q | 94.4 | Very high | 95.7 | Very high | 157 Ų | 157 | 77.2 Ų | 77.2 | 73% | 0.734 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.7 | -35.7 | 179.8 | -70.4 | -178.7 | -11.4 | 0 | 0 | 113 | V302 K303 | Q299-V302 PolarHBondContact O-N 3.24Å; Q299-K303 WeakPolarHBondContact O-CG 3.49Å; Q299-K303 PolarHBondContact O-N 3.23Å |
| 300 | E | 96.8 | Very high | 95.7 | Very high | 102 Ų | 102 | 77.9 Ų | 77.9 | 48% | 0.477 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 177.4 | -63.6 | -52 | 127.3 | 0 | 0 | 111.5 | S298 V302 K303 E304 | S298-E300 VanDerWaalsContact C-N 3.26Å; S298-E300 PolarHBondContact O-N 3.49Å; E300-V302 VanDerWaalsContact C-N 3.26Å; E300-V302 PolarHBondContact O-N 3.04Å; E300-K303 PolarHBondContact O-N 3.01Å; E300-K303 VanDerWaalsContact O-N 3.16Å; E300-K303 IonicContact OE1-NZ 3.38Å; E300-K303 PolarHBondContact OE1-NZ 2.89Å; E300-K303 IonicContact OE2-NZ 2.66Å; E300-E304 WeakPolarHBondContact O-CG 3.42Å; E300-E304 PolarHBondContact O-N 3.06Å |
| 301 | V | 97.4 | Very high | 95.8 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | P297 S298 M305 V342 | P297-V301 HydrophobicContact CB-CB 4.46Å; P297-V301 HydrophobicContact CB-CG1 4.12Å; S298-V301 PolarHBondContact O-N 2.99Å; S298-V301 VanDerWaalsContact OG-CG2 3.31Å; S298-V301 WeakPolarHBondContact OG-CG2 3.26Å; S298-V301 PolarHBondContact OG-N 3.45Å; V301-M305 VanDerWaalsContact O-CB 3.27Å; V301-M305 WeakPolarHBondContact O-CB 3.45Å; V301-M305 PolarHBondContact O-N 2.95Å; V301-V342 HydrophobicContact CG1-CG1 4.31Å; V301-V342 HydrophobicContact CG1-CG2 3.88Å |
| 302 | V | 97.2 | Very high | 95.8 | Very high | 26 Ų | 26 | 78.7 Ų | 78.7 | 16% | 0.158 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 177.2 | 175 | 0 | 0 | 0 | 0 | 111.3 | V291 P297 S298 Q299 E300 M305 I306 V342 F343 | V291-V302 HydrophobicContact CG1-CG1 4.13Å; V291-V302 HydrophobicContact CG1-CG2 3.71Å; P297-V302 HydrophobicContact CB-CG2 4.04Å; P297-V302 HydrophobicContact CG-CG2 3.79Å; S298-V302 WeakPolarHBondContact O-CG2 3.44Å; S298-V302 PolarHBondContact O-N 3.18Å; Q299-V302 PolarHBondContact O-N 3.24Å; E300-V302 VanDerWaalsContact C-N 3.26Å; E300-V302 PolarHBondContact O-N 3.04Å; V302-M305 PolarHBondContact O-N 3.2Å; V302-I306 HydrophobicContact CG1-CD1 4.03Å; V302-I306 WeakPolarHBondContact O-CG1 3.14Å; V302-I306 PolarHBondContact O-N 3.22Å; V302-V342 HydrophobicContact CG2-CG1 4.06Å; V302-F343 HydrophobicContact CG1-CE1 4.42Å |
| 303 | K | 96.9 | Very high | 96 | Very high | 116 Ų | 116 | 76.5 Ų | 76.5 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 177.7 | -72.4 | 173.5 | -171.8 | 164.7 | 0 | 112 | Q299 E300 M305 I306 Q307 | Q299-K303 WeakPolarHBondContact O-CG 3.49Å; Q299-K303 PolarHBondContact O-N 3.23Å; E300-K303 PolarHBondContact O-N 3.01Å; E300-K303 VanDerWaalsContact O-N 3.16Å; E300-K303 IonicContact OE1-NZ 3.38Å; E300-K303 PolarHBondContact OE1-NZ 2.89Å; E300-K303 IonicContact OE2-NZ 2.66Å; K303-M305 VanDerWaalsContact C-N 3.31Å; K303-M305 PolarHBondContact O-N 2.95Å; K303-I306 PolarHBondContact O-N 3.42Å; K303-Q307 PolarHBondContact O-N 2.92Å |
| 304 | E | 98.1 | Very high | 96.4 | Very high | 133 Ų | 133 | 77.4 Ų | 77.4 | 62% | 0.621 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.9 | -42.8 | 176.6 | -72.4 | 177.7 | -170.9 | 0 | 0 | 111.2 | E300 Q307 F308 | E300-E304 WeakPolarHBondContact O-CG 3.42Å; E300-E304 PolarHBondContact O-N 3.06Å; E304-Q307 PolarHBondContact O-N 3.45Å; E304-F308 WeakPolarHBondContact O-CB 3.46Å; E304-F308 PolarHBondContact O-N 3.45Å |
| 305 | M | 98.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 75.9 Ų | 75.9 | 7% | 0.069 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.2 | -170 | 68.4 | -99.4 | 0 | 0 | 112.2 | V301 V302 K303 F308 S309 K338 Q339 V342 F343 | V301-M305 VanDerWaalsContact O-CB 3.27Å; V301-M305 WeakPolarHBondContact O-CB 3.45Å; V301-M305 PolarHBondContact O-N 2.95Å; V302-M305 PolarHBondContact O-N 3.2Å; K303-M305 VanDerWaalsContact C-N 3.31Å; K303-M305 PolarHBondContact O-N 2.95Å; M305-F308 HydrophobicContact CE-CB 4.03Å; M305-F308 HydrophobicContact CE-CD1 3.15Å; M305-F308 HydrophobicContact CE-CE1 3.89Å; M305-F308 HydrophobicContact CE-CG 3.91Å; M305-S309 WeakPolarHBondContact CE-OG 3.14Å; M305-S309 WeakPolarHBondContact O-CB 3.5Å; M305-S309 PolarHBondContact O-N 3.07Å; M305-S309 PolarHBondContact O-OG 3.07Å; M305-K338 HydrophobicContact CE-CB 4.27Å; M305-K338 HydrophobicContact SD-CB 4.22Å; M305-K338 VanDerWaalsContact SD-O 3.37Å; M305-Q339 HydrophobicContact CE-CG 3.63Å; M305-Q339 HydrophobicContact CG-CG 4.33Å; M305-Q339 HydrophobicContact SD-CG 4.02Å; M305-V342 HydrophobicContact CB-CG1 4.07Å; M305-V342 HydrophobicContact CG-CB 4.09Å; M305-V342 HydrophobicContact CG-CG1 4.09Å; M305-V342 HydrophobicContact CG-CG2 4.24Å; M305-V342 HydrophobicContact SD-CG2 4.4Å; M305-F343 HydrophobicContact CB-CE1 4.05Å; M305-F343 HydrophobicContact CB-CE2 4.43Å; M305-F343 HydrophobicContact CB-CZ 3.74Å; M305-F343 HydrophobicContact CG-CD1 4.41Å; M305-F343 HydrophobicContact CG-CD2 4.18Å; M305-F343 HydrophobicContact CG-CE1 3.8Å; M305-F343 HydrophobicContact CG-CE2 3.54Å; M305-F343 HydrophobicContact CG-CZ 3.31Å |
| 306 | I | 97.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 71 Ų | 71 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 173.7 | -72.2 | 170.6 | 0 | 0 | 0 | 110.1 | L289 V302 K303 S309 K310 F343 Y349 | L289-I306 HydrophobicContact CD2-CD1 4.44Å; V302-I306 HydrophobicContact CG1-CD1 4.03Å; V302-I306 WeakPolarHBondContact O-CG1 3.14Å; V302-I306 PolarHBondContact O-N 3.22Å; K303-I306 PolarHBondContact O-N 3.42Å; I306-S309 WeakPolarHBondContact O-CB 3.39Å; I306-S309 PolarHBondContact O-N 3.44Å; I306-K310 HydrophobicContact CG2-CD 4.41Å; I306-K310 WeakPolarHBondContact O-CG 3.5Å; I306-K310 PolarHBondContact O-N 2.83Å; I306-F343 HydrophobicContact CG1-CE1 4.16Å; I306-F343 HydrophobicContact CG1-CZ 3.8Å; I306-Y349 HydrophobicContact CB-CE2 4.25Å; I306-Y349 HydrophobicContact CD1-CE2 4.36Å; I306-Y349 HydrophobicContact CG1-CD2 4.1Å; I306-Y349 HydrophobicContact CG1-CE2 3.84Å; I306-Y349 HydrophobicContact CG2-CD2 4.47Å; I306-Y349 HydrophobicContact CG2-CE2 3.67Å |
| 307 | Q | 98.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 67.7 Ų | 67.7 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 179.8 | -172.7 | 58.9 | 46.9 | 0 | 0 | 111.5 | K303 E304 S309 K310 D311 | K303-Q307 PolarHBondContact O-N 2.92Å; E304-Q307 PolarHBondContact O-N 3.45Å; Q307-S309 PolarHBondContact O-N 3.38Å; Q307-K310 WeakPolarHBondContact O-CB 3.5Å; Q307-K310 PolarHBondContact O-N 3.32Å; Q307-K310 VanDerWaalsContact O-N 3.12Å; Q307-D311 PolarHBondContact NE2-OD1 2.96Å; Q307-D311 VanDerWaalsContact O-CG 3.27Å; Q307-D311 PolarHBondContact O-N 3.31Å |
| 308 | F | 98.6 | Very high | 97.6 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 30% | 0.303 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.6 | -38.5 | 175.8 | 172.8 | -85.1 | 0 | 0 | 0 | 112 | E304 M305 T312 C335 K338 | E304-F308 WeakPolarHBondContact O-CB 3.46Å; E304-F308 PolarHBondContact O-N 3.45Å; M305-F308 HydrophobicContact CE-CB 4.03Å; M305-F308 HydrophobicContact CE-CD1 3.15Å; M305-F308 HydrophobicContact CE-CE1 3.89Å; M305-F308 HydrophobicContact CE-CG 3.91Å; F308-T312 WeakPolarHBondContact CE1-OG1 3.42Å; F308-T312 WeakPolarHBondContact O-CB 3.27Å; F308-T312 PolarHBondContact O-N 2.81Å; F308-T312 PolarHBondContact O-OG1 3Å; F308-C335 HydrophobicContact CE1-CB 4.28Å; F308-K338 HydrophobicContact CE1-CB 4.42Å; F308-K338 HydrophobicContact CE1-CD 3.74Å; F308-K338 HydrophobicContact CE2-CD 4Å; F308-K338 HydrophobicContact CZ-CD 3.4Å; F308-K338 VanDerWaalsContact CZ-CD 3.4Å |
| 309 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 178.4 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | M305 I306 Q307 T312 L313 Q339 | M305-S309 WeakPolarHBondContact CE-OG 3.14Å; M305-S309 WeakPolarHBondContact O-CB 3.5Å; M305-S309 PolarHBondContact O-N 3.07Å; M305-S309 PolarHBondContact O-OG 3.07Å; I306-S309 WeakPolarHBondContact O-CB 3.39Å; I306-S309 PolarHBondContact O-N 3.44Å; Q307-S309 PolarHBondContact O-N 3.38Å; S309-T312 PolarHBondContact O-N 3.21Å; S309-L313 WeakPolarHBondContact O-CG 3.22Å; S309-L313 PolarHBondContact O-N 2.99Å; S309-Q339 PolarHBondContact OG-NE2 3.41Å |
| 310 | K | 97.7 | Very high | 97.7 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -50 | 174.7 | -70.4 | 176.2 | 178.7 | -179.4 | 0 | 111.4 | I306 Q307 T312 L313 E314 Y349 | I306-K310 HydrophobicContact CG2-CD 4.41Å; I306-K310 WeakPolarHBondContact O-CG 3.5Å; I306-K310 PolarHBondContact O-N 2.83Å; Q307-K310 WeakPolarHBondContact O-CB 3.5Å; Q307-K310 PolarHBondContact O-N 3.32Å; Q307-K310 VanDerWaalsContact O-N 3.12Å; K310-T312 PolarHBondContact O-N 2.76Å; K310-L313 WeakPolarHBondContact O-CB 3.46Å; K310-L313 PolarHBondContact O-N 2.85Å; K310-L313 VanDerWaalsContact O-N 3.11Å; K310-E314 PolarHBondContact O-N 3.05Å; K310-E314 VanDerWaalsContact O-N 3.09Å; K310-Y349 WeakPolarHBondContact CE-OH 3.49Å; K310-Y349 HydrophobicContact CG-CE1 3.87Å |
| 311 | D | 98.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.5 | -34.6 | 178.8 | -60.5 | -10.1 | 0 | 0 | 0 | 111.6 | Q307 K315 | Q307-D311 PolarHBondContact NE2-OD1 2.96Å; Q307-D311 VanDerWaalsContact O-CG 3.27Å; Q307-D311 PolarHBondContact O-N 3.31Å; D311-K315 WeakPolarHBondContact O-CG 3.48Å; D311-K315 PolarHBondContact O-N 3.22Å |
| 312 | T | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.1 | -38.7 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | F308 S309 K310 E314 K315 I316 L331 C335 | F308-T312 WeakPolarHBondContact CE1-OG1 3.42Å; F308-T312 WeakPolarHBondContact O-CB 3.27Å; F308-T312 PolarHBondContact O-N 2.81Å; F308-T312 PolarHBondContact O-OG1 3Å; S309-T312 PolarHBondContact O-N 3.21Å; K310-T312 PolarHBondContact O-N 2.76Å; T312-E314 VanDerWaalsContact C-N 3.33Å; T312-E314 PolarHBondContact O-N 2.66Å; T312-K315 PolarHBondContact O-N 3.29Å; T312-I316 HydrophobicContact CG2-CD1 3.85Å; T312-I316 HydrophobicContact CG2-CG1 4.35Å; T312-I316 WeakPolarHBondContact O-CB 3.49Å; T312-I316 VanDerWaalsContact O-CG1 3.31Å; T312-I316 WeakPolarHBondContact O-CG1 3.47Å; T312-I316 PolarHBondContact O-N 2.85Å; T312-L331 HydrophobicContact CG2-CB 4.34Å; T312-C335 HydrophobicContact CG2-CB 3.87Å |
| 313 | L | 98.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 69.3 Ų | 69.3 | 13% | 0.131 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 174.4 | -75.7 | 167.5 | 0 | 0 | 0 | 111.7 | S309 K310 K315 I316 D317 Y349 R352 I353 I356 | S309-L313 WeakPolarHBondContact O-CG 3.22Å; S309-L313 PolarHBondContact O-N 2.99Å; K310-L313 WeakPolarHBondContact O-CB 3.46Å; K310-L313 PolarHBondContact O-N 2.85Å; K310-L313 VanDerWaalsContact O-N 3.11Å; L313-K315 VanDerWaalsContact C-N 3.34Å; L313-K315 PolarHBondContact O-N 3.29Å; L313-I316 WeakPolarHBondContact O-CB 3.46Å; L313-I316 PolarHBondContact O-N 3.47Å; L313-D317 PolarHBondContact O-N 2.71Å; L313-Y349 HydrophobicContact CD1-CD1 4.29Å; L313-R352 HydrophobicContact CD1-CG 4.17Å; L313-R352 HydrophobicContact CD2-CB 4.36Å; L313-R352 HydrophobicContact CD2-CG 3.62Å; L313-I353 HydrophobicContact CD2-CD1 3.56Å; L313-I353 HydrophobicContact CD2-CG1 4.44Å; L313-I353 HydrophobicContact CG-CD1 4.04Å; L313-I356 HydrophobicContact CD2-CD1 3.75Å |
| 314 | E | 97.9 | Very high | 97.5 | Very high | 136 Ų | 136 | 68 Ų | 68 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.1 | -41.8 | 175.5 | -68.2 | 177.2 | -170 | 0 | 0 | 112.2 | K310 T312 D317 K318 | K310-E314 PolarHBondContact O-N 3.05Å; K310-E314 VanDerWaalsContact O-N 3.09Å; T312-E314 VanDerWaalsContact C-N 3.33Å; T312-E314 PolarHBondContact O-N 2.66Å; E314-D317 PolarHBondContact O-N 2.84Å; E314-K318 PolarHBondContact O-N 2.98Å; E314-K318 VanDerWaalsContact O-N 3.08Å |
| 315 | K | 98.5 | Very high | 97.4 | Very high | 122 Ų | 122 | 65.1 Ų | 65.1 | 53% | 0.53 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 175 | -68.5 | 170.6 | -171.7 | 172.4 | 0 | 112.1 | D311 T312 L313 K318 A319 L331 | D311-K315 WeakPolarHBondContact O-CG 3.48Å; D311-K315 PolarHBondContact O-N 3.22Å; T312-K315 PolarHBondContact O-N 3.29Å; L313-K315 VanDerWaalsContact C-N 3.34Å; L313-K315 PolarHBondContact O-N 3.29Å; K315-K318 PolarHBondContact O-N 3.47Å; K315-A319 WeakPolarHBondContact O-CB 3.42Å; K315-A319 PolarHBondContact O-N 3.35Å; K315-L331 HydrophobicContact CB-CD1 4.04Å |
| 316 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 175.9 | -77.3 | 164.8 | 0 | 0 | 0 | 110.2 | T312 L313 K318 A319 R320 V328 L331 C332 I353 I356 | T312-I316 HydrophobicContact CG2-CD1 3.85Å; T312-I316 HydrophobicContact CG2-CG1 4.35Å; T312-I316 WeakPolarHBondContact O-CB 3.49Å; T312-I316 VanDerWaalsContact O-CG1 3.31Å; T312-I316 WeakPolarHBondContact O-CG1 3.47Å; T312-I316 PolarHBondContact O-N 2.85Å; L313-I316 WeakPolarHBondContact O-CB 3.46Å; L313-I316 PolarHBondContact O-N 3.47Å; I316-K318 VanDerWaalsContact C-N 3.34Å; I316-K318 PolarHBondContact O-N 2.99Å; I316-A319 PolarHBondContact O-N 3.14Å; I316-R320 VanDerWaalsContact O-CB 3.26Å; I316-R320 WeakPolarHBondContact O-CB 3.2Å; I316-R320 PolarHBondContact O-N 3.15Å; I316-V328 HydrophobicContact CG2-CG1 3.95Å; I316-L331 HydrophobicContact CD1-CB 4.22Å; I316-L331 HydrophobicContact CG1-CB 3.69Å; I316-L331 HydrophobicContact CG1-CD1 3.98Å; I316-C332 VanDerWaalsContact CD1-SG 3.57Å; I316-I353 HydrophobicContact CD1-CD1 3.5Å; I316-I356 HydrophobicContact CG2-CD1 4.07Å; I316-I356 HydrophobicContact CG2-CG2 3.87Å |
| 317 | D | 96.4 | Very high | 97.5 | Very high | 86 Ų | 86 | 73.7 Ų | 73.7 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | -179.6 | -74.7 | -23.3 | 0 | 0 | 0 | 111.1 | L313 E314 R320 S321 | L313-D317 PolarHBondContact O-N 2.71Å; E314-D317 PolarHBondContact O-N 2.84Å; D317-R320 PolarHBondContact O-N 3.24Å; D317-S321 WeakPolarHBondContact O-CB 3.49Å; D317-S321 PolarHBondContact O-N 3.2Å |
| 318 | K | 97.4 | Very high | 97.5 | Very high | 133 Ų | 133 | 69.1 Ų | 69.1 | 58% | 0.578 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.4 | -54 | 173.7 | -173.5 | -178.4 | 177.7 | -176.4 | 0 | 111.7 | E314 K315 I316 R320 S321 E322 | E314-K318 PolarHBondContact O-N 2.98Å; E314-K318 VanDerWaalsContact O-N 3.08Å; K315-K318 PolarHBondContact O-N 3.47Å; I316-K318 VanDerWaalsContact C-N 3.34Å; I316-K318 PolarHBondContact O-N 2.99Å; K318-R320 VanDerWaalsContact C-N 3.28Å; K318-R320 PolarHBondContact O-N 3.29Å; K318-S321 PolarHBondContact O-N 3.07Å; K318-S321 VanDerWaalsContact O-N 3.15Å; K318-S321 PolarHBondContact O-OG 2.95Å; K318-E322 WeakPolarHBondContact CE-OE1 3.43Å; K318-E322 PolarHBondContact O-N 3.26Å; K318-E322 VanDerWaalsContact O-N 3.16Å |
| 319 | A | 97.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 66 Ų | 66 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.2 | -38.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K315 I316 E322 G323 L324 E327 V328 | K315-A319 WeakPolarHBondContact O-CB 3.42Å; K315-A319 PolarHBondContact O-N 3.35Å; I316-A319 PolarHBondContact O-N 3.14Å; A319-E322 PolarHBondContact O-N 3.41Å; A319-G323 PolarHBondContact O-N 2.94Å; A319-L324 HydrophobicContact CB-CB 4.27Å; A319-L324 WeakPolarHBondContact O-CB 3.44Å; A319-L324 PolarHBondContact O-N 3.31Å; A319-E327 HydrophobicContact CB-CG 4.39Å; A319-V328 HydrophobicContact CB-CG2 3.75Å |
| 320 | R | 95.2 | Very high | 97.5 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 176.9 | -167.1 | 176 | -169.7 | 173.7 | 5.1 | 111.4 | I316 D317 K318 E322 G323 V328 E359 | I316-R320 VanDerWaalsContact O-CB 3.26Å; I316-R320 WeakPolarHBondContact O-CB 3.2Å; I316-R320 PolarHBondContact O-N 3.15Å; D317-R320 PolarHBondContact O-N 3.24Å; K318-R320 VanDerWaalsContact C-N 3.28Å; K318-R320 PolarHBondContact O-N 3.29Å; R320-E322 VanDerWaalsContact C-N 3.25Å; R320-E322 PolarHBondContact O-N 3.26Å; R320-G323 PolarHBondContact O-N 3.42Å; R320-G323 VanDerWaalsContact O-N 3.12Å; R320-V328 HydrophobicContact CB-CG2 3.94Å; R320-E359 IonicContact CZ-OE2 2.91Å; R320-E359 IonicContact NH1-OE2 3.92Å; R320-E359 PolarHBondContact NH1-OE2 3.27Å; R320-E359 IonicContact NH2-OE2 3.55Å; R320-E359 PolarHBondContact NH2-OE2 3.1Å |
| 321 | S | 92.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 67.5 Ų | 67.5 | 70% | 0.699 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.8 | -29.4 | 177 | 76.7 | 0 | 0 | 0 | 0 | 113.2 | D317 K318 G323 | D317-S321 WeakPolarHBondContact O-CB 3.49Å; D317-S321 PolarHBondContact O-N 3.2Å; K318-S321 PolarHBondContact O-N 3.07Å; K318-S321 VanDerWaalsContact O-N 3.15Å; K318-S321 PolarHBondContact O-OG 2.95Å; S321-G323 VanDerWaalsContact C-N 3.33Å |
| 322 | E | 96.4 | Very high | 97.6 | Very high | 111 Ų | 111 | 64.6 Ų | 64.6 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.3 | 176.5 | -65.8 | 171.7 | -172.9 | 0 | 0 | 112.8 | K318 A319 R320 L324 | K318-E322 WeakPolarHBondContact CE-OE1 3.43Å; K318-E322 PolarHBondContact O-N 3.26Å; K318-E322 VanDerWaalsContact O-N 3.16Å; A319-E322 PolarHBondContact O-N 3.41Å; R320-E322 VanDerWaalsContact C-N 3.25Å; R320-E322 PolarHBondContact O-N 3.26Å; E322-L324 VanDerWaalsContact C-N 3.3Å; E322-L324 HydrophobicContact CB-CD1 4.1Å; E322-L324 HydrophobicContact CB-CG 3.99Å; E322-L324 PolarHBondContact O-N 3.23Å; E322-L324 WeakPolarHBondContact OE2-CD1 3.34Å |
| 323 | G | 95.2 | Very high | 97.6 | Very high | 33 Ų | 33 | 69.4 Ų | 69.4 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 16.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A319 R320 S321 Y325 | A319-G323 PolarHBondContact O-N 2.94Å; R320-G323 PolarHBondContact O-N 3.42Å; R320-G323 VanDerWaalsContact O-N 3.12Å; S321-G323 VanDerWaalsContact C-N 3.33Å; G323-Y325 WeakPolarHBondContact O-CD2 3.21Å; G323-Y325 PolarHBondContact O-N 3.11Å |
| 324 | L | 97.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 72.3 Ų | 72.3 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | trans | -83.1 | 60.7 | -178.1 | -57.7 | 175.1 | 0 | 0 | 0 | 111.5 | A319 E322 H326 E327 V328 | A319-L324 HydrophobicContact CB-CB 4.27Å; A319-L324 WeakPolarHBondContact O-CB 3.44Å; A319-L324 PolarHBondContact O-N 3.31Å; E322-L324 VanDerWaalsContact C-N 3.3Å; E322-L324 HydrophobicContact CB-CD1 4.1Å; E322-L324 HydrophobicContact CB-CG 3.99Å; E322-L324 PolarHBondContact O-N 3.23Å; E322-L324 WeakPolarHBondContact OE2-CD1 3.34Å; L324-H326 VanDerWaalsContact C-N 3.31Å; L324-H326 PolarHBondContact O-N 3.14Å; L324-E327 HydrophobicContact CB-CB 4.15Å; L324-E327 WeakPolarHBondContact O-CB 3.43Å; L324-E327 PolarHBondContact O-N 3.03Å; L324-V328 PolarHBondContact O-N 3.22Å | ||
| 325 | Y | 97.8 | Very high | 97.6 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 29% | 0.29 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.3 | -33.6 | -169.8 | -59.2 | -56.6 | 0 | 0 | 0 | 114.8 | G323 V328 V329 V360 Y363 | G323-Y325 WeakPolarHBondContact O-CD2 3.21Å; G323-Y325 PolarHBondContact O-N 3.11Å; Y325-V328 WeakPolarHBondContact O-CB 3.45Å; Y325-V328 PolarHBondContact O-N 3.34Å; Y325-V329 WeakPolarHBondContact O-CG2 3.31Å; Y325-V329 PolarHBondContact O-N 2.88Å; Y325-V329 VanDerWaalsContact O-N 3.07Å; Y325-V360 HydrophobicContact CD1-CG1 4.19Å; Y325-V360 HydrophobicContact CG-CG1 4.37Å; Y325-Y363 HydrophobicContact CD2-CD1 4.13Å; Y325-Y363 AromaticContact CD2-CE1 3.61Å; Y325-Y363 HydrophobicContact CD2-CE1 3.61Å; Y325-Y363 HydrophobicContact CE2-CD1 4.26Å; Y325-Y363 AromaticContact CE2-CE1 3.49Å; Y325-Y363 HydrophobicContact CE2-CE1 3.49Å; Y325-Y363 VanDerWaalsContact CE2-CE1 3.49Å; Y325-Y363 HydrophobicContact CG-CD1 4.36Å; Y325-Y363 HydrophobicContact CG-CE1 4.28Å |
| 326 | H | 98.2 | Very high | 97.6 | Very high | 147 Ų | 147 | 60.4 Ų | 60.4 | 68% | 0.681 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.5 | -35.4 | 177.1 | -68.4 | 75 | 0 | 0 | 0 | 111.9 | L324 V329 K330 | L324-H326 VanDerWaalsContact C-N 3.31Å; L324-H326 PolarHBondContact O-N 3.14Å; H326-V329 PolarHBondContact O-N 3.24Å; H326-K330 PolarHBondContact O-N 3.43Å |
| 327 | E | 98.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 67.1 Ų | 67.1 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 174.2 | -175.6 | 61.9 | -166.9 | 0 | 0 | 110.7 | A319 L324 V329 K330 L331 | A319-E327 HydrophobicContact CB-CG 4.39Å; L324-E327 HydrophobicContact CB-CB 4.15Å; L324-E327 WeakPolarHBondContact O-CB 3.43Å; L324-E327 PolarHBondContact O-N 3.03Å; E327-V329 VanDerWaalsContact C-N 3.33Å; E327-V329 PolarHBondContact O-N 2.89Å; E327-K330 WeakPolarHBondContact O-CB 3.24Å; E327-K330 PolarHBondContact O-N 3.09Å; E327-K330 IonicContact OE2-NZ 3.4Å; E327-L331 HydrophobicContact CG-CD1 4.21Å; E327-L331 HydrophobicContact CG-CG 4.45Å; E327-L331 WeakPolarHBondContact O-CG 3.34Å; E327-L331 PolarHBondContact O-N 2.94Å |
| 328 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.4 | -48.5 | 173.3 | 173 | 0 | 0 | 0 | 0 | 111.1 | I316 A319 R320 L324 Y325 K330 L331 C332 I356 V360 | I316-V328 HydrophobicContact CG2-CG1 3.95Å; A319-V328 HydrophobicContact CB-CG2 3.75Å; R320-V328 HydrophobicContact CB-CG2 3.94Å; L324-V328 PolarHBondContact O-N 3.22Å; Y325-V328 WeakPolarHBondContact O-CB 3.45Å; Y325-V328 PolarHBondContact O-N 3.34Å; V328-K330 VanDerWaalsContact C-N 3.34Å; V328-K330 PolarHBondContact O-N 3.08Å; V328-L331 PolarHBondContact O-N 3.42Å; V328-C332 PolarHBondContact O-N 3.47Å; V328-C332 PolarHBondContact O-SG 3.47Å; V328-I356 HydrophobicContact CG1-CG2 3.86Å; V328-V360 HydrophobicContact CG1-CG2 3.92Å |
| 329 | V | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Y325 H326 E327 C332 R333 V357 V360 L361 L364 | Y325-V329 WeakPolarHBondContact O-CG2 3.31Å; Y325-V329 PolarHBondContact O-N 2.88Å; Y325-V329 VanDerWaalsContact O-N 3.07Å; H326-V329 PolarHBondContact O-N 3.24Å; E327-V329 VanDerWaalsContact C-N 3.33Å; E327-V329 PolarHBondContact O-N 2.89Å; V329-C332 PolarHBondContact O-N 3.15Å; V329-R333 HydrophobicContact CG1-CG 4.42Å; V329-R333 WeakPolarHBondContact O-CG 3.41Å; V329-R333 PolarHBondContact O-N 2.83Å; V329-V357 HydrophobicContact CG1-CG2 4.37Å; V329-V360 HydrophobicContact CG2-CB 4.22Å; V329-V360 HydrophobicContact CG2-CG1 3.66Å; V329-L361 HydrophobicContact CG1-CD2 3.88Å; V329-L361 HydrophobicContact CG1-CG 4.38Å; V329-L361 HydrophobicContact CG2-CD2 3.96Å; V329-L361 HydrophobicContact CG2-CG 4.1Å; V329-L364 HydrophobicContact CG2-CD1 4.2Å |
| 330 | K | 98.7 | Very high | 97.7 | Very high | 97 Ų | 97 | 67.1 Ų | 67.1 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.2 | -51.2 | 177.3 | -179 | -171.1 | 167.8 | -161 | 0 | 111.7 | H326 E327 V328 C332 R333 E334 | H326-K330 PolarHBondContact O-N 3.43Å; E327-K330 WeakPolarHBondContact O-CB 3.24Å; E327-K330 PolarHBondContact O-N 3.09Å; E327-K330 IonicContact OE2-NZ 3.4Å; V328-K330 VanDerWaalsContact C-N 3.34Å; V328-K330 PolarHBondContact O-N 3.08Å; K330-C332 VanDerWaalsContact C-N 3.29Å; K330-C332 PolarHBondContact O-N 3.07Å; K330-R333 PolarHBondContact O-N 3.35Å; K330-E334 WeakPolarHBondContact CE-OE1 3.45Å; K330-E334 WeakPolarHBondContact O-CG 3.47Å; K330-E334 PolarHBondContact O-N 3.03Å |
| 331 | L | 98.8 | Very high | 97.8 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.12 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 177.4 | -70.6 | 169.6 | 0 | 0 | 0 | 111.7 | T312 K315 I316 E327 V328 C335 | T312-L331 HydrophobicContact CG2-CB 4.34Å; K315-L331 HydrophobicContact CB-CD1 4.04Å; I316-L331 HydrophobicContact CD1-CB 4.22Å; I316-L331 HydrophobicContact CG1-CB 3.69Å; I316-L331 HydrophobicContact CG1-CD1 3.98Å; E327-L331 HydrophobicContact CG-CD1 4.21Å; E327-L331 HydrophobicContact CG-CG 4.45Å; E327-L331 WeakPolarHBondContact O-CG 3.34Å; E327-L331 PolarHBondContact O-N 2.94Å; V328-L331 PolarHBondContact O-N 3.42Å; L331-C335 VanDerWaalsContact O-CB 3.24Å; L331-C335 WeakPolarHBondContact O-CB 3.5Å; L331-C335 PolarHBondContact O-N 3.31Å |
| 332 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 178 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | I316 V328 V329 K330 C335 L336 I353 V357 | I316-C332 VanDerWaalsContact CD1-SG 3.57Å; V328-C332 PolarHBondContact O-N 3.47Å; V328-C332 PolarHBondContact O-SG 3.47Å; V329-C332 PolarHBondContact O-N 3.15Å; K330-C332 VanDerWaalsContact C-N 3.29Å; K330-C332 PolarHBondContact O-N 3.07Å; C332-C335 PolarHBondContact O-N 3.43Å; C332-L336 WeakPolarHBondContact O-CB 3.49Å; C332-L336 WeakPolarHBondContact O-CG 3.4Å; C332-L336 PolarHBondContact O-N 3.04Å; C332-I353 HydrophobicContact CB-CG2 3.62Å; C332-V357 HydrophobicContact CB-CB 3.61Å; C332-V357 HydrophobicContact CB-CG2 3.7Å |
| 333 | R | 98.7 | Very high | 98.1 | Very high | 106 Ų | 106 | 57 Ų | 57 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 179.2 | -72.7 | 179.5 | -175.1 | 141.5 | -1.6 | 111.6 | V329 K330 C335 L336 Q337 E369 | V329-R333 HydrophobicContact CG1-CG 4.42Å; V329-R333 WeakPolarHBondContact O-CG 3.41Å; V329-R333 PolarHBondContact O-N 2.83Å; K330-R333 PolarHBondContact O-N 3.35Å; R333-C335 VanDerWaalsContact C-N 3.27Å; R333-C335 PolarHBondContact O-N 3.08Å; R333-L336 PolarHBondContact O-N 2.65Å; R333-Q337 WeakPolarHBondContact O-CB 3.49Å; R333-Q337 PolarHBondContact O-N 3.36Å; R333-E369 IonicContact CZ-OE1 3.38Å; R333-E369 IonicContact CZ-OE2 3.2Å; R333-E369 IonicContact NE-OE1 2.6Å; R333-E369 PolarHBondContact NE-OE1 3.04Å; R333-E369 IonicContact NE-OE2 3.35Å; R333-E369 VanDerWaalsContact NH2-CD 3.26Å; R333-E369 IonicContact NH2-OE1 3.67Å; R333-E369 PolarHBondContact NH2-OE1 2.98Å; R333-E369 VanDerWaalsContact NH2-OE1 3.09Å; R333-E369 IonicContact NH2-OE2 3.75Å; R333-E369 PolarHBondContact NH2-OE2 3.36Å |
| 334 | E | 98.6 | Very high | 98.2 | Very high | 86 Ų | 86 | 56.5 Ų | 56.5 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 178 | -70.6 | 177.8 | -172.5 | 0 | 0 | 111.7 | K330 K338 | K330-E334 WeakPolarHBondContact CE-OE1 3.45Å; K330-E334 WeakPolarHBondContact O-CG 3.47Å; K330-E334 PolarHBondContact O-N 3.03Å; E334-K338 WeakPolarHBondContact O-CG 3.34Å; E334-K338 PolarHBondContact O-N 2.79Å |
| 335 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -50.1 | 176.9 | -161.9 | 0 | 0 | 0 | 0 | 112 | F308 T312 L331 C332 R333 Q337 K338 Q339 I353 | F308-C335 HydrophobicContact CE1-CB 4.28Å; T312-C335 HydrophobicContact CG2-CB 3.87Å; L331-C335 VanDerWaalsContact O-CB 3.24Å; L331-C335 WeakPolarHBondContact O-CB 3.5Å; L331-C335 PolarHBondContact O-N 3.31Å; C332-C335 PolarHBondContact O-N 3.43Å; R333-C335 VanDerWaalsContact C-N 3.27Å; R333-C335 PolarHBondContact O-N 3.08Å; C335-Q337 VanDerWaalsContact C-N 3.3Å; C335-Q337 PolarHBondContact O-N 2.95Å; C335-K338 PolarHBondContact O-N 3.41Å; C335-K338 VanDerWaalsContact O-N 3.11Å; C335-Q339 VanDerWaalsContact O-CG 3.3Å; C335-Q339 WeakPolarHBondContact O-CG 3.31Å; C335-Q339 PolarHBondContact O-N 3.4Å; C335-I353 HydrophobicContact CB-CD1 4.42Å; C335-I353 HydrophobicContact CB-CG2 4.48Å |
| 336 | L | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 179.4 | -73.6 | 169.1 | 0 | 0 | 0 | 111.7 | C332 R333 K338 Q339 E340 M350 I353 L354 V357 Y373 | C332-L336 WeakPolarHBondContact O-CB 3.49Å; C332-L336 WeakPolarHBondContact O-CG 3.4Å; C332-L336 PolarHBondContact O-N 3.04Å; R333-L336 PolarHBondContact O-N 2.65Å; L336-K338 VanDerWaalsContact C-N 3.27Å; L336-K338 PolarHBondContact O-N 3.31Å; L336-Q339 PolarHBondContact O-N 2.88Å; L336-E340 WeakPolarHBondContact O-CB 3.21Å; L336-E340 PolarHBondContact O-N 3.28Å; L336-M350 HydrophobicContact CD2-CG 3.86Å; L336-I353 HydrophobicContact CD1-CG2 3.91Å; L336-I353 HydrophobicContact CD2-CB 4.01Å; L336-I353 HydrophobicContact CD2-CG2 3.91Å; L336-I353 HydrophobicContact CG-CB 4.23Å; L336-I353 HydrophobicContact CG-CG2 3.55Å; L336-L354 HydrophobicContact CD1-CD2 3.92Å; L336-L354 HydrophobicContact CD2-CD2 3.91Å; L336-L354 HydrophobicContact CD2-CG 3.92Å; L336-V357 HydrophobicContact CD1-CG1 4.15Å; L336-Y373 HydrophobicContact CD1-CD1 3.99Å; L336-Y373 HydrophobicContact CD1-CE1 3.66Å |
| 337 | Q | 98.3 | Very high | 98.1 | Very high | 141 Ų | 141 | 45.1 Ų | 45.1 | 66% | 0.659 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.9 | -38.3 | 177.2 | -171.6 | -177.9 | 17 | 0 | 0 | 112 | R333 C335 P341 | R333-Q337 WeakPolarHBondContact O-CB 3.49Å; R333-Q337 PolarHBondContact O-N 3.36Å; C335-Q337 VanDerWaalsContact C-N 3.3Å; C335-Q337 PolarHBondContact O-N 2.95Å; Q337-P341 WeakPolarHBondContact O-CD 3.4Å |
| 338 | K | 98.1 | Very high | 98.1 | Very high | 118 Ų | 118 | 42.3 Ų | 42.3 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -75.7 | -32.9 | 176.4 | -73.7 | 171.1 | 175.3 | -76.5 | 0 | 112.8 | M305 F308 E334 C335 L336 P341 | M305-K338 HydrophobicContact CE-CB 4.27Å; M305-K338 HydrophobicContact SD-CB 4.22Å; M305-K338 VanDerWaalsContact SD-O 3.37Å; F308-K338 HydrophobicContact CE1-CB 4.42Å; F308-K338 HydrophobicContact CE1-CD 3.74Å; F308-K338 HydrophobicContact CE2-CD 4Å; F308-K338 HydrophobicContact CZ-CD 3.4Å; F308-K338 VanDerWaalsContact CZ-CD 3.4Å; E334-K338 WeakPolarHBondContact O-CG 3.34Å; E334-K338 PolarHBondContact O-N 2.79Å; C335-K338 PolarHBondContact O-N 3.41Å; C335-K338 VanDerWaalsContact O-N 3.11Å; L336-K338 VanDerWaalsContact C-N 3.27Å; L336-K338 PolarHBondContact O-N 3.31Å; K338-P341 WeakPolarHBondContact O-CD 3.5Å |
| 339 | Q | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.2 | -33.1 | 178.4 | -72.9 | 175.3 | -18 | 0 | 0 | 113 | M305 S309 C335 L336 V342 F343 M350 | M305-Q339 HydrophobicContact CE-CG 3.63Å; M305-Q339 HydrophobicContact CG-CG 4.33Å; M305-Q339 HydrophobicContact SD-CG 4.02Å; S309-Q339 PolarHBondContact OG-NE2 3.41Å; C335-Q339 VanDerWaalsContact O-CG 3.3Å; C335-Q339 WeakPolarHBondContact O-CG 3.31Å; C335-Q339 PolarHBondContact O-N 3.4Å; L336-Q339 PolarHBondContact O-N 2.88Å; Q339-V342 PolarHBondContact O-N 2.85Å; Q339-F343 HydrophobicContact CB-CD2 3.83Å; Q339-F343 HydrophobicContact CB-CE2 4.46Å; Q339-F343 HydrophobicContact CG-CD2 3.64Å; Q339-F343 HydrophobicContact CG-CE2 3.82Å; Q339-F343 PolarHBondContact O-N 3.34Å; Q339-M350 HydrophobicContact CB-CE 3.84Å |
| 340 | E | 96.4 | Very high | 98.1 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -44.7 | -174.1 | -175.4 | 169.7 | -168.1 | 0 | 0 | 115.6 | K292 L336 V342 | K292-E340 WeakPolarHBondContact CE-O 3.36Å; L336-E340 WeakPolarHBondContact O-CB 3.21Å; L336-E340 PolarHBondContact O-N 3.28Å; E340-V342 VanDerWaalsContact C-N 3.26Å; E340-V342 PolarHBondContact O-N 3.31Å |
| 341 | P | 96.9 | Very high | 98.1 | Very high | 75 Ų | 75 | 39.6 Ų | 39.6 | 49% | 0.487 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.7 | 176.5 | 28.6 | -35.5 | 0 | 0 | 0 | 114.2 | Q337 K338 | Q337-P341 WeakPolarHBondContact O-CD 3.4Å; K338-P341 WeakPolarHBondContact O-CD 3.5Å |
| 342 | V | 98.1 | Very high | 98 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -52.3 | -172.5 | -174 | 0 | 0 | 0 | 0 | 111.8 | V291 K292 P297 V301 V302 M305 Q339 E340 | V291-V342 CarbonylContact C-O 3.51Å; V291-V342 VanDerWaalsContact CA-O 3.23Å; V291-V342 WeakPolarHBondContact CA-O 3.48Å; V291-V342 WeakPolarHBondContact CB-O 3.44Å; K292-V342 PolarHBondContact N-O 3.23Å; P297-V342 HydrophobicContact CB-CG1 3.99Å; P297-V342 HydrophobicContact CG-CG1 3.96Å; V301-V342 HydrophobicContact CG1-CG1 4.31Å; V301-V342 HydrophobicContact CG1-CG2 3.88Å; V302-V342 HydrophobicContact CG2-CG1 4.06Å; M305-V342 HydrophobicContact CB-CG1 4.07Å; M305-V342 HydrophobicContact CG-CB 4.09Å; M305-V342 HydrophobicContact CG-CG1 4.09Å; M305-V342 HydrophobicContact CG-CG2 4.24Å; M305-V342 HydrophobicContact SD-CG2 4.4Å; Q339-V342 PolarHBondContact O-N 2.85Å; E340-V342 VanDerWaalsContact C-N 3.26Å; E340-V342 PolarHBondContact O-N 3.31Å |
| 343 | F | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -94.9 | 144.4 | -169.9 | -67 | -22 | 0 | 0 | 0 | 112.5 | K292 V302 M305 I306 Q339 N347 M350 | K292-F343 WeakPolarHBondContact CE-O 3.33Å; V302-F343 HydrophobicContact CG1-CE1 4.42Å; M305-F343 HydrophobicContact CB-CE1 4.05Å; M305-F343 HydrophobicContact CB-CE2 4.43Å; M305-F343 HydrophobicContact CB-CZ 3.74Å; M305-F343 HydrophobicContact CG-CD1 4.41Å; M305-F343 HydrophobicContact CG-CD2 4.18Å; M305-F343 HydrophobicContact CG-CE1 3.8Å; M305-F343 HydrophobicContact CG-CE2 3.54Å; M305-F343 HydrophobicContact CG-CZ 3.31Å; I306-F343 HydrophobicContact CG1-CE1 4.16Å; I306-F343 HydrophobicContact CG1-CZ 3.8Å; Q339-F343 HydrophobicContact CB-CD2 3.83Å; Q339-F343 HydrophobicContact CB-CE2 4.46Å; Q339-F343 HydrophobicContact CG-CD2 3.64Å; Q339-F343 HydrophobicContact CG-CE2 3.82Å; Q339-F343 PolarHBondContact O-N 3.34Å; F343-N347 HydrophobicContact CB-CB 3.71Å; F343-N347 VanDerWaalsContact CD1-ND2 3.33Å; F343-N347 WeakPolarHBondContact CD1-ND2 3.46Å; F343-N347 HydrophobicContact CD2-CB 4.37Å; F343-N347 HydrophobicContact CG-CB 4.02Å; F343-M350 HydrophobicContact CB-CE 3.9Å |
| 344 | A | 97.4 | Very high | 98 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 19% | 0.19 | 19% | 0.193 | C | C | . | . | trans | -76.5 | 162.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | G290 T346 N347 | G290-A344 PolarHBondContact O-N 2.73Å; A344-T346 PolarHBondContact O-N 3.27Å; A344-N347 WeakPolarHBondContact O-CB 3.41Å; A344-N347 PolarHBondContact O-N 3.42Å | ||
| 345 | D | 96 | Very high | 98 | Very high | 55 Ų | 55 | 36.7 Ų | 36.7 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -6.8 | -179.1 | -61.8 | -63.9 | 0 | 0 | 0 | 113.9 | L351 R376 | D345-L351 WeakPolarHBondContact O-CD2 3.41Å; D345-R376 IonicContact OD1-NE 2.71Å; D345-R376 IonicContact OD1-NH2 3.2Å; D345-R376 PolarHBondContact OD1-NH2 2.89Å |
| 346 | T | 97.9 | Very high | 98 | Very high | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.08 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -5 | 170.9 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | L287 A344 I348 K383 | L287-T346 CarbonylContact O-C 3.59Å; L287-T346 WeakPolarHBondContact O-CB 3.28Å; L287-T346 VanDerWaalsContact O-O 3.11Å; L287-T346 PolarHBondContact O-OG1 2.78Å; A344-T346 PolarHBondContact O-N 3.27Å; T346-I348 PolarHBondContact O-N 3.48Å; T346-K383 HydrophobicContact CG2-CB 4.03Å; T346-K383 HydrophobicContact CG2-CD 3.58Å; T346-K383 HydrophobicContact CG2-CG 4.45Å |
| 347 | N | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -65.4 | 128.5 | -177.9 | -169.9 | -71.2 | 0 | 0 | 0 | 110.8 | F288 G290 F343 A344 Y349 M350 L351 | F288-N347 CarbonylContact O-C 3.33Å; F288-N347 VanDerWaalsContact O-CA 3.29Å; F288-N347 WeakPolarHBondContact O-CA 3.42Å; G290-N347 PolarHBondContact O-ND2 2.87Å; G290-N347 VanDerWaalsContact O-ND2 3.09Å; F343-N347 HydrophobicContact CB-CB 3.71Å; F343-N347 VanDerWaalsContact CD1-ND2 3.33Å; F343-N347 WeakPolarHBondContact CD1-ND2 3.46Å; F343-N347 HydrophobicContact CD2-CB 4.37Å; F343-N347 HydrophobicContact CG-CB 4.02Å; A344-N347 WeakPolarHBondContact O-CB 3.41Å; A344-N347 PolarHBondContact O-N 3.42Å; N347-Y349 VanDerWaalsContact C-N 3.27Å; N347-Y349 PolarHBondContact O-N 3.36Å; N347-Y349 WeakPolarHBondContact OD1-CB 3.31Å; N347-Y349 PolarHBondContact OD1-N 3.38Å; N347-M350 HydrophobicContact CB-CB 4.33Å; N347-M350 PolarHBondContact O-N 3.15Å; N347-L351 WeakPolarHBondContact O-CG 3.31Å; N347-L351 PolarHBondContact O-N 3.1Å | ||
| 348 | I | 97.8 | Very high | 98 | Very high | 20 Ų | 20 | 30.2 Ų | 30.2 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.8 | -33.4 | -173.8 | 58.2 | 178.7 | 0 | 0 | 0 | 113 | F288 T346 R352 | F288-I348 HydrophobicContact CB-CG2 3.67Å; F288-I348 HydrophobicContact CD1-CG2 3.28Å; F288-I348 HydrophobicContact CE1-CG2 4.1Å; F288-I348 HydrophobicContact CG-CG2 3.73Å; F288-I348 PolarHBondContact O-N 3.38Å; T346-I348 PolarHBondContact O-N 3.48Å; I348-R352 WeakPolarHBondContact O-CB 3.37Å; I348-R352 PolarHBondContact O-N 2.92Å |
| 349 | Y | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 27.9 Ų | 27.9 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.4 | -41.1 | 178.9 | -64.1 | -70.4 | 0 | 0 | 0 | 111.2 | L289 I306 K310 L313 N347 R352 I353 | L289-Y349 HydrophobicContact CD2-CE2 4.32Å; I306-Y349 HydrophobicContact CB-CE2 4.25Å; I306-Y349 HydrophobicContact CD1-CE2 4.36Å; I306-Y349 HydrophobicContact CG1-CD2 4.1Å; I306-Y349 HydrophobicContact CG1-CE2 3.84Å; I306-Y349 HydrophobicContact CG2-CD2 4.47Å; I306-Y349 HydrophobicContact CG2-CE2 3.67Å; K310-Y349 WeakPolarHBondContact CE-OH 3.49Å; K310-Y349 HydrophobicContact CG-CE1 3.87Å; L313-Y349 HydrophobicContact CD1-CD1 4.29Å; N347-Y349 VanDerWaalsContact C-N 3.27Å; N347-Y349 PolarHBondContact O-N 3.36Å; N347-Y349 WeakPolarHBondContact OD1-CB 3.31Å; N347-Y349 PolarHBondContact OD1-N 3.38Å; Y349-R352 PolarHBondContact O-N 3.45Å; Y349-I353 WeakPolarHBondContact O-CG1 3.3Å; Y349-I353 PolarHBondContact O-N 2.83Å |
| 350 | M | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | 174.3 | -177.6 | 178 | -76.1 | 0 | 0 | 110.9 | L336 Q339 F343 N347 R352 I353 L354 | L336-M350 HydrophobicContact CD2-CG 3.86Å; Q339-M350 HydrophobicContact CB-CE 3.84Å; F343-M350 HydrophobicContact CB-CE 3.9Å; N347-M350 HydrophobicContact CB-CB 4.33Å; N347-M350 PolarHBondContact O-N 3.15Å; M350-R352 VanDerWaalsContact C-N 3.28Å; M350-R352 PolarHBondContact O-N 3.49Å; M350-I353 PolarHBondContact O-N 3.48Å; M350-I353 VanDerWaalsContact O-N 3.16Å; M350-L354 HydrophobicContact CG-CD1 3.96Å; M350-L354 HydrophobicContact CG-CG 4.28Å; M350-L354 WeakPolarHBondContact O-CG 3.45Å; M350-L354 PolarHBondContact O-N 2.93Å |
| 351 | L | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 179.1 | -71.4 | 171.6 | 0 | 0 | 0 | 112.8 | D345 N347 L354 S355 Y381 L384 | D345-L351 WeakPolarHBondContact O-CD2 3.41Å; N347-L351 WeakPolarHBondContact O-CG 3.31Å; N347-L351 PolarHBondContact O-N 3.1Å; L351-L354 HydrophobicContact CD2-CD1 4.24Å; L351-L354 PolarHBondContact O-N 3.22Å; L351-S355 WeakPolarHBondContact O-CB 3.35Å; L351-S355 PolarHBondContact O-N 2.95Å; L351-Y381 HydrophobicContact CB-CE1 3.89Å; L351-Y381 HydrophobicContact CD1-CD1 3.97Å; L351-Y381 HydrophobicContact CD1-CE1 4.07Å; L351-Y381 HydrophobicContact CD2-CD1 4.15Å; L351-Y381 HydrophobicContact CD2-CE1 4.22Å; L351-Y381 HydrophobicContact CG-CD1 4.47Å; L351-Y381 HydrophobicContact CG-CE1 4.3Å; L351-L384 HydrophobicContact CD1-CD1 3.4Å |
| 352 | R | 98.1 | Very high | 97.9 | Very high | 141 Ų | 141 | 20.6 Ų | 20.6 | 53% | 0.532 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 175 | -169.2 | 66.8 | 174.9 | -172.1 | 0.3 | 111.6 | L313 I348 Y349 M350 S355 I356 | L313-R352 HydrophobicContact CD1-CG 4.17Å; L313-R352 HydrophobicContact CD2-CB 4.36Å; L313-R352 HydrophobicContact CD2-CG 3.62Å; I348-R352 WeakPolarHBondContact O-CB 3.37Å; I348-R352 PolarHBondContact O-N 2.92Å; Y349-R352 PolarHBondContact O-N 3.45Å; M350-R352 VanDerWaalsContact C-N 3.28Å; M350-R352 PolarHBondContact O-N 3.49Å; R352-S355 PolarHBondContact O-N 3.3Å; R352-I356 HydrophobicContact CG-CD1 4.17Å; R352-I356 WeakPolarHBondContact O-CD1 3.49Å; R352-I356 VanDerWaalsContact O-CG1 3.3Å; R352-I356 WeakPolarHBondContact O-CG1 3.49Å; R352-I356 PolarHBondContact O-N 3.1Å; R352-I356 VanDerWaalsContact O-N 3.12Å |
| 353 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.2 | -43.4 | 177.6 | -58.2 | -69.4 | 0 | 0 | 0 | 111 | L313 I316 C332 C335 L336 Y349 M350 S355 I356 V357 | L313-I353 HydrophobicContact CD2-CD1 3.56Å; L313-I353 HydrophobicContact CD2-CG1 4.44Å; L313-I353 HydrophobicContact CG-CD1 4.04Å; I316-I353 HydrophobicContact CD1-CD1 3.5Å; C332-I353 HydrophobicContact CB-CG2 3.62Å; C335-I353 HydrophobicContact CB-CD1 4.42Å; C335-I353 HydrophobicContact CB-CG2 4.48Å; L336-I353 HydrophobicContact CD1-CG2 3.91Å; L336-I353 HydrophobicContact CD2-CB 4.01Å; L336-I353 HydrophobicContact CD2-CG2 3.91Å; L336-I353 HydrophobicContact CG-CB 4.23Å; L336-I353 HydrophobicContact CG-CG2 3.55Å; Y349-I353 WeakPolarHBondContact O-CG1 3.3Å; Y349-I353 PolarHBondContact O-N 2.83Å; M350-I353 PolarHBondContact O-N 3.48Å; M350-I353 VanDerWaalsContact O-N 3.16Å; I353-S355 VanDerWaalsContact C-N 3.32Å; I353-S355 PolarHBondContact O-N 2.89Å; I353-I356 PolarHBondContact O-N 2.88Å; I353-V357 WeakPolarHBondContact O-CG1 3.38Å; I353-V357 PolarHBondContact O-N 2.89Å |
| 354 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.1 | -43.5 | 175.7 | -71.3 | 171.2 | 0 | 0 | 0 | 112 | L336 M350 L351 V357 S358 Y373 R376 M377 | L336-L354 HydrophobicContact CD1-CD2 3.92Å; L336-L354 HydrophobicContact CD2-CD2 3.91Å; L336-L354 HydrophobicContact CD2-CG 3.92Å; M350-L354 HydrophobicContact CG-CD1 3.96Å; M350-L354 HydrophobicContact CG-CG 4.28Å; M350-L354 WeakPolarHBondContact O-CG 3.45Å; M350-L354 PolarHBondContact O-N 2.93Å; L351-L354 HydrophobicContact CD2-CD1 4.24Å; L351-L354 PolarHBondContact O-N 3.22Å; L354-V357 WeakPolarHBondContact O-CG1 3.31Å; L354-S358 WeakPolarHBondContact O-CB 3.21Å; L354-S358 PolarHBondContact O-N 3.41Å; L354-Y373 HydrophobicContact CD2-CD1 3.47Å; L354-Y373 VanDerWaalsContact CD2-CD1 3.47Å; L354-Y373 HydrophobicContact CD2-CE1 4.37Å; L354-Y373 HydrophobicContact CD2-CG 4.14Å; L354-R376 HydrophobicContact CD1-CB 3.98Å; L354-R376 HydrophobicContact CD2-CB 4.34Å; L354-M377 HydrophobicContact CB-CB 4.04Å |
| 355 | S | 98.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -50.2 | 176 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | L351 R352 I353 S358 E359 M377 | L351-S355 WeakPolarHBondContact O-CB 3.35Å; L351-S355 PolarHBondContact O-N 2.95Å; R352-S355 PolarHBondContact O-N 3.3Å; I353-S355 VanDerWaalsContact C-N 3.32Å; I353-S355 PolarHBondContact O-N 2.89Å; S355-S358 PolarHBondContact O-N 2.99Å; S355-E359 VanDerWaalsContact O-CG 3.3Å; S355-E359 WeakPolarHBondContact O-CG 3.28Å; S355-E359 PolarHBondContact O-N 2.94Å; S355-E359 PolarHBondContact OG-OE1 3.32Å; S355-M377 VanDerWaalsContact CA-SD 3.53Å; S355-M377 VanDerWaalsContact CB-SD 3.56Å |
| 356 | I | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | -176.9 | -65.4 | 163.4 | 0 | 0 | 0 | 110.9 | L313 I316 V328 R352 I353 S358 E359 V360 | L313-I356 HydrophobicContact CD2-CD1 3.75Å; I316-I356 HydrophobicContact CG2-CD1 4.07Å; I316-I356 HydrophobicContact CG2-CG2 3.87Å; V328-I356 HydrophobicContact CG1-CG2 3.86Å; R352-I356 HydrophobicContact CG-CD1 4.17Å; R352-I356 WeakPolarHBondContact O-CD1 3.49Å; R352-I356 VanDerWaalsContact O-CG1 3.3Å; R352-I356 WeakPolarHBondContact O-CG1 3.49Å; R352-I356 PolarHBondContact O-N 3.1Å; R352-I356 VanDerWaalsContact O-N 3.12Å; I353-I356 PolarHBondContact O-N 2.88Å; I356-S358 VanDerWaalsContact C-N 3.33Å; I356-S358 PolarHBondContact O-N 3.32Å; I356-E359 PolarHBondContact O-N 3.03Å; I356-V360 HydrophobicContact CG2-CG2 4.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.35Å; I356-V360 PolarHBondContact O-N 3.43Å |
| 357 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | -177.4 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | V329 C332 L336 I353 L354 V360 L361 Y373 | V329-V357 HydrophobicContact CG1-CG2 4.37Å; C332-V357 HydrophobicContact CB-CB 3.61Å; C332-V357 HydrophobicContact CB-CG2 3.7Å; L336-V357 HydrophobicContact CD1-CG1 4.15Å; I353-V357 WeakPolarHBondContact O-CG1 3.38Å; I353-V357 PolarHBondContact O-N 2.89Å; L354-V357 WeakPolarHBondContact O-CG1 3.31Å; V357-V360 PolarHBondContact O-N 3.26Å; V357-L361 HydrophobicContact CG2-CD1 3.81Å; V357-L361 HydrophobicContact CG2-CG 4.21Å; V357-L361 VanDerWaalsContact O-CB 3.28Å; V357-L361 WeakPolarHBondContact O-CB 3.32Å; V357-L361 VanDerWaalsContact O-CG 3.27Å; V357-L361 WeakPolarHBondContact O-CG 3.47Å; V357-L361 PolarHBondContact O-N 3.48Å; V357-Y373 HydrophobicContact CB-CD2 4.45Å; V357-Y373 HydrophobicContact CG1-CD1 4.12Å; V357-Y373 HydrophobicContact CG1-CD2 3.48Å; V357-Y373 VanDerWaalsContact CG1-CD2 3.48Å; V357-Y373 HydrophobicContact CG1-CE2 3.95Å; V357-Y373 HydrophobicContact CG1-CG 3.56Å; V357-Y373 HydrophobicContact CG2-CD2 4.18Å; V357-Y373 HydrophobicContact CG2-CE2 4Å |
| 358 | S | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.8 | -175 | 0 | 0 | 0 | 0 | 111.9 | L354 S355 I356 S362 A370 A374 | L354-S358 WeakPolarHBondContact O-CB 3.21Å; L354-S358 PolarHBondContact O-N 3.41Å; S355-S358 PolarHBondContact O-N 2.99Å; I356-S358 VanDerWaalsContact C-N 3.33Å; I356-S358 PolarHBondContact O-N 3.32Å; S358-S362 VanDerWaalsContact O-CB 3.28Å; S358-S362 WeakPolarHBondContact O-CB 3.17Å; S358-S362 PolarHBondContact O-N 3.41Å; S358-S362 PolarHBondContact O-OG 2.68Å; S358-A370 PolarHBondContact OG-O 2.91Å; S358-A374 WeakPolarHBondContact OG-CB 3.38Å |
| 359 | E | 96.3 | Very high | 97.6 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 32% | 0.318 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.9 | -48 | 175.3 | -75 | 169.5 | -159 | 0 | 0 | 112 | R320 S355 I356 S362 Y363 | R320-E359 IonicContact CZ-OE2 2.91Å; R320-E359 IonicContact NH1-OE2 3.92Å; R320-E359 PolarHBondContact NH1-OE2 3.27Å; R320-E359 IonicContact NH2-OE2 3.55Å; R320-E359 PolarHBondContact NH2-OE2 3.1Å; S355-E359 VanDerWaalsContact O-CG 3.3Å; S355-E359 WeakPolarHBondContact O-CG 3.28Å; S355-E359 PolarHBondContact O-N 2.94Å; S355-E359 PolarHBondContact OG-OE1 3.32Å; I356-E359 PolarHBondContact O-N 3.03Å; E359-S362 PolarHBondContact O-N 3.05Å; E359-Y363 PolarHBondContact O-N 3.2Å |
| 360 | V | 97.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.7 | -41.2 | -176.2 | 178 | 0 | 0 | 0 | 0 | 111.4 | Y325 V328 V329 I356 V357 S362 Y363 L364 | Y325-V360 HydrophobicContact CD1-CG1 4.19Å; Y325-V360 HydrophobicContact CG-CG1 4.37Å; V328-V360 HydrophobicContact CG1-CG2 3.92Å; V329-V360 HydrophobicContact CG2-CB 4.22Å; V329-V360 HydrophobicContact CG2-CG1 3.66Å; I356-V360 HydrophobicContact CG2-CG2 4.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.35Å; I356-V360 PolarHBondContact O-N 3.43Å; V357-V360 PolarHBondContact O-N 3.26Å; V360-S362 VanDerWaalsContact C-N 3.34Å; V360-S362 PolarHBondContact O-N 3.12Å; V360-Y363 WeakPolarHBondContact O-CB 3.42Å; V360-Y363 PolarHBondContact O-N 2.87Å; V360-L364 HydrophobicContact CG1-CD1 4.22Å; V360-L364 WeakPolarHBondContact O-CG 3.38Å; V360-L364 PolarHBondContact O-N 3.37Å |
| 361 | L | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 174.4 | -73.5 | 169.8 | 0 | 0 | 0 | 111.8 | V329 V357 Y363 L364 Q365 A366 E369 A370 Y373 | V329-L361 HydrophobicContact CG1-CD2 3.88Å; V329-L361 HydrophobicContact CG1-CG 4.38Å; V329-L361 HydrophobicContact CG2-CD2 3.96Å; V329-L361 HydrophobicContact CG2-CG 4.1Å; V357-L361 HydrophobicContact CG2-CD1 3.81Å; V357-L361 HydrophobicContact CG2-CG 4.21Å; V357-L361 VanDerWaalsContact O-CB 3.28Å; V357-L361 WeakPolarHBondContact O-CB 3.32Å; V357-L361 VanDerWaalsContact O-CG 3.27Å; V357-L361 WeakPolarHBondContact O-CG 3.47Å; V357-L361 PolarHBondContact O-N 3.48Å; L361-Y363 VanDerWaalsContact C-N 3.31Å; L361-Y363 PolarHBondContact O-N 2.9Å; L361-L364 CarbonylContact O-C 3.57Å; L361-L364 PolarHBondContact O-N 3.42Å; L361-Q365 PolarHBondContact O-N 3.06Å; L361-A366 HydrophobicContact CB-CB 4.26Å; L361-A366 HydrophobicContact CD2-CB 3.82Å; L361-A366 PolarHBondContact O-N 3.08Å; L361-E369 HydrophobicContact CD1-CB 4.13Å; L361-E369 HydrophobicContact CD1-CG 3.77Å; L361-A370 HydrophobicContact CB-CB 3.63Å; L361-Y373 HydrophobicContact CD1-CD2 3.76Å; L361-Y373 HydrophobicContact CD1-CE2 3.73Å |
| 362 | S | 96.7 | Very high | 97.6 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 18% | 0.175 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 174.2 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | S358 E359 V360 L364 Q365 F367 T402 | S358-S362 VanDerWaalsContact O-CB 3.28Å; S358-S362 WeakPolarHBondContact O-CB 3.17Å; S358-S362 PolarHBondContact O-N 3.41Å; S358-S362 PolarHBondContact O-OG 2.68Å; E359-S362 PolarHBondContact O-N 3.05Å; V360-S362 VanDerWaalsContact C-N 3.34Å; V360-S362 PolarHBondContact O-N 3.12Å; S362-L364 VanDerWaalsContact C-N 3.34Å; S362-Q365 PolarHBondContact O-N 3.39Å; S362-Q365 VanDerWaalsContact O-N 3.1Å; S362-F367 WeakPolarHBondContact O-CE1 3.3Å; S362-T402 WeakPolarHBondContact OG-CG2 3.19Å; S362-T402 PolarHBondContact OG-OG1 2.93Å; S362-T402 VanDerWaalsContact OG-OG1 3.07Å |
| 363 | Y | 95.1 | Very high | 97.6 | Very high | 151 Ų | 151 | 40.3 Ų | 40.3 | 59% | 0.592 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -62.8 | -39.9 | 173.7 | 173.1 | -96.4 | 0 | 0 | 0 | 112.4 | Y325 E359 V360 L361 Q365 | Y325-Y363 HydrophobicContact CD2-CD1 4.13Å; Y325-Y363 AromaticContact CD2-CE1 3.61Å; Y325-Y363 HydrophobicContact CD2-CE1 3.61Å; Y325-Y363 HydrophobicContact CE2-CD1 4.26Å; Y325-Y363 AromaticContact CE2-CE1 3.49Å; Y325-Y363 HydrophobicContact CE2-CE1 3.49Å; Y325-Y363 VanDerWaalsContact CE2-CE1 3.49Å; Y325-Y363 HydrophobicContact CG-CD1 4.36Å; Y325-Y363 HydrophobicContact CG-CE1 4.28Å; E359-Y363 PolarHBondContact O-N 3.2Å; V360-Y363 WeakPolarHBondContact O-CB 3.42Å; V360-Y363 PolarHBondContact O-N 2.87Å; L361-Y363 VanDerWaalsContact C-N 3.31Å; L361-Y363 PolarHBondContact O-N 2.9Å; Y363-Q365 PolarHBondContact O-N 3.24Å |
| 364 | L | 96.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 5 | 174.4 | -64.2 | 176.1 | 0 | 0 | 0 | 113.6 | V329 V360 L361 S362 A366 | V329-L364 HydrophobicContact CG2-CD1 4.2Å; V360-L364 HydrophobicContact CG1-CD1 4.22Å; V360-L364 WeakPolarHBondContact O-CG 3.38Å; V360-L364 PolarHBondContact O-N 3.37Å; L361-L364 CarbonylContact O-C 3.57Å; L361-L364 PolarHBondContact O-N 3.42Å; S362-L364 VanDerWaalsContact C-N 3.34Å; L364-A366 PolarHBondContact O-N 3.46Å |
| 365 | Q | 96.1 | Very high | 97.6 | Very high | 150 Ų | 150 | 43.7 Ų | 43.7 | 70% | 0.701 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 19.3 | -178 | -52.3 | -179.3 | 23.2 | 0 | 0 | 114.6 | L361 S362 Y363 F367 | L361-Q365 PolarHBondContact O-N 3.06Å; S362-Q365 PolarHBondContact O-N 3.39Å; S362-Q365 VanDerWaalsContact O-N 3.1Å; Y363-Q365 PolarHBondContact O-N 3.24Å; Q365-F367 HydrophobicContact CB-CD2 4.47Å; Q365-F367 HydrophobicContact CB-CE2 3.87Å; Q365-F367 HydrophobicContact CB-CZ 4.23Å; Q365-F367 HydrophobicContact CG-CE2 4.29Å; Q365-F367 HydrophobicContact CG-CZ 4.3Å; Q365-F367 WeakPolarHBondContact O-CD2 3.33Å; Q365-F367 PolarHBondContact O-N 3.32Å |
| 366 | A | 97.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | trans | -84.5 | 61 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L361 L364 E368 A370 | L361-A366 HydrophobicContact CB-CB 4.26Å; L361-A366 HydrophobicContact CD2-CB 3.82Å; L361-A366 PolarHBondContact O-N 3.08Å; L364-A366 PolarHBondContact O-N 3.46Å; A366-E368 PolarHBondContact O-N 3.15Å; A366-A370 VanDerWaalsContact O-CB 3.31Å; A366-A370 WeakPolarHBondContact O-CB 3.26Å; A366-A370 PolarHBondContact O-N 3.25Å; A366-A370 VanDerWaalsContact O-N 3.08Å | ||
| 367 | F | 97.1 | Very high | 97.7 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 23% | 0.228 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.1 | -34 | -167.5 | -63.7 | -63.5 | 0 | 0 | 0 | 114.4 | S362 Q365 A370 S371 T402 H405 A406 | S362-F367 WeakPolarHBondContact O-CE1 3.3Å; Q365-F367 HydrophobicContact CB-CD2 4.47Å; Q365-F367 HydrophobicContact CB-CE2 3.87Å; Q365-F367 HydrophobicContact CB-CZ 4.23Å; Q365-F367 HydrophobicContact CG-CE2 4.29Å; Q365-F367 HydrophobicContact CG-CZ 4.3Å; Q365-F367 WeakPolarHBondContact O-CD2 3.33Å; Q365-F367 PolarHBondContact O-N 3.32Å; F367-A370 PolarHBondContact O-N 3.16Å; F367-S371 VanDerWaalsContact O-CB 3.28Å; F367-S371 WeakPolarHBondContact O-CB 3.25Å; F367-S371 PolarHBondContact O-N 3.43Å; F367-T402 HydrophobicContact CD1-CG2 4.46Å; F367-H405 HydrophobicContact CB-CB 4.16Å; F367-H405 HydrophobicContact CD1-CB 3.64Å; F367-H405 HydrophobicContact CD2-CB 3.78Å; F367-H405 HydrophobicContact CE1-CB 3.9Å; F367-H405 HydrophobicContact CE2-CB 4.02Å; F367-H405 HydrophobicContact CG-CB 3.58Å; F367-H405 HydrophobicContact CZ-CB 4.07Å; F367-A406 HydrophobicContact CB-CB 4.05Å |
| 368 | E | 96.8 | Very high | 97.7 | Very high | 115 Ų | 115 | 47 Ų | 47 | 54% | 0.537 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.4 | -59.4 | -179.5 | -170.9 | 64.6 | -169.1 | 0 | 0 | 110.8 | A366 A370 S371 | A366-E368 PolarHBondContact O-N 3.15Å; E368-A370 PolarHBondContact O-N 2.9Å; E368-S371 WeakPolarHBondContact O-CB 3.42Å; E368-S371 PolarHBondContact O-N 3.15Å; E368-S371 PolarHBondContact O-OG 2.76Å |
| 369 | E | 98.1 | Very high | 97.7 | Very high | 53 Ų | 53 | 51 Ų | 51 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 177.9 | -171.4 | -172.3 | 173 | 0 | 0 | 112.1 | R333 L361 S371 D372 Y373 | R333-E369 IonicContact CZ-OE1 3.38Å; R333-E369 IonicContact CZ-OE2 3.2Å; R333-E369 IonicContact NE-OE1 2.6Å; R333-E369 PolarHBondContact NE-OE1 3.04Å; R333-E369 IonicContact NE-OE2 3.35Å; R333-E369 VanDerWaalsContact NH2-CD 3.26Å; R333-E369 IonicContact NH2-OE1 3.67Å; R333-E369 PolarHBondContact NH2-OE1 2.98Å; R333-E369 VanDerWaalsContact NH2-OE1 3.09Å; R333-E369 IonicContact NH2-OE2 3.75Å; R333-E369 PolarHBondContact NH2-OE2 3.36Å; L361-E369 HydrophobicContact CD1-CB 4.13Å; L361-E369 HydrophobicContact CD1-CG 3.77Å; E369-S371 PolarHBondContact O-N 3Å; E369-D372 PolarHBondContact O-N 3.02Å; E369-Y373 HydrophobicContact CG-CD2 4.21Å; E369-Y373 HydrophobicContact CG-CE2 3.61Å; E369-Y373 WeakPolarHBondContact O-CD2 3.32Å; E369-Y373 PolarHBondContact O-N 2.56Å; E369-Y373 WeakPolarHBondContact OE1-CE2 3.31Å; E369-Y373 PolarHBondContact OE1-OH 3.14Å |
| 370 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.3 | -35.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S358 L361 A366 F367 E368 A374 T402 | S358-A370 PolarHBondContact OG-O 2.91Å; L361-A370 HydrophobicContact CB-CB 3.63Å; A366-A370 VanDerWaalsContact O-CB 3.31Å; A366-A370 WeakPolarHBondContact O-CB 3.26Å; A366-A370 PolarHBondContact O-N 3.25Å; A366-A370 VanDerWaalsContact O-N 3.08Å; F367-A370 PolarHBondContact O-N 3.16Å; E368-A370 PolarHBondContact O-N 2.9Å; A370-A374 VanDerWaalsContact O-CB 3.29Å; A370-A374 WeakPolarHBondContact O-CB 3.21Å; A370-A374 PolarHBondContact O-N 2.98Å; A370-T402 HydrophobicContact CB-CG2 3.47Å; A370-T402 VanDerWaalsContact CB-CG2 3.47Å |
| 371 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.4 | -37.1 | -178 | 83.5 | 0 | 0 | 0 | 0 | 111.9 | F367 E368 E369 A374 R375 N408 | F367-S371 VanDerWaalsContact O-CB 3.28Å; F367-S371 WeakPolarHBondContact O-CB 3.25Å; F367-S371 PolarHBondContact O-N 3.43Å; E368-S371 WeakPolarHBondContact O-CB 3.42Å; E368-S371 PolarHBondContact O-N 3.15Å; E368-S371 PolarHBondContact O-OG 2.76Å; E369-S371 PolarHBondContact O-N 3Å; S371-A374 WeakPolarHBondContact O-CB 3.4Å; S371-A374 PolarHBondContact O-N 3.11Å; S371-R375 WeakPolarHBondContact O-CG 3.35Å; S371-R375 PolarHBondContact O-N 2.76Å; S371-R375 PolarHBondContact O-NH1 3.12Å; S371-R375 PolarHBondContact OG-NH1 2.92Å; S371-N408 PolarHBondContact OG-ND2 2.86Å |
| 372 | D | 98.2 | Very high | 97.8 | Very high | 68 Ų | 68 | 51 Ų | 51 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.5 | -49.9 | 178.1 | -65.5 | -8.5 | 0 | 0 | 0 | 111.2 | E369 A374 R375 R376 | E369-D372 PolarHBondContact O-N 3.02Å; D372-A374 VanDerWaalsContact C-N 3.32Å; D372-A374 PolarHBondContact O-N 3.26Å; D372-R375 PolarHBondContact O-N 2.83Å; D372-R375 IonicContact OD1-CZ 2.81Å; D372-R375 IonicContact OD1-NH1 3.28Å; D372-R375 PolarHBondContact OD1-NH1 3.3Å; D372-R375 IonicContact OD1-NH2 3Å; D372-R375 PolarHBondContact OD1-NH2 2.97Å; D372-R376 PolarHBondContact O-N 3.25Å |
| 373 | Y | 98.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 55.3 Ų | 55.3 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | 176.2 | -61.5 | -55 | 0 | 0 | 0 | 112 | L336 L354 V357 L361 E369 R375 R376 M377 | L336-Y373 HydrophobicContact CD1-CD1 3.99Å; L336-Y373 HydrophobicContact CD1-CE1 3.66Å; L354-Y373 HydrophobicContact CD2-CD1 3.47Å; L354-Y373 VanDerWaalsContact CD2-CD1 3.47Å; L354-Y373 HydrophobicContact CD2-CE1 4.37Å; L354-Y373 HydrophobicContact CD2-CG 4.14Å; V357-Y373 HydrophobicContact CB-CD2 4.45Å; V357-Y373 HydrophobicContact CG1-CD1 4.12Å; V357-Y373 HydrophobicContact CG1-CD2 3.48Å; V357-Y373 VanDerWaalsContact CG1-CD2 3.48Å; V357-Y373 HydrophobicContact CG1-CE2 3.95Å; V357-Y373 HydrophobicContact CG1-CG 3.56Å; V357-Y373 HydrophobicContact CG2-CD2 4.18Å; V357-Y373 HydrophobicContact CG2-CE2 4Å; L361-Y373 HydrophobicContact CD1-CD2 3.76Å; L361-Y373 HydrophobicContact CD1-CE2 3.73Å; E369-Y373 HydrophobicContact CG-CD2 4.21Å; E369-Y373 HydrophobicContact CG-CE2 3.61Å; E369-Y373 WeakPolarHBondContact O-CD2 3.32Å; E369-Y373 PolarHBondContact O-N 2.56Å; E369-Y373 WeakPolarHBondContact OE1-CE2 3.31Å; E369-Y373 PolarHBondContact OE1-OH 3.14Å; Y373-R375 PolarHBondContact O-N 2.82Å; Y373-R376 PolarHBondContact O-N 2.85Å; Y373-M377 WeakPolarHBondContact O-CB 3.27Å; Y373-M377 PolarHBondContact O-N 2.95Å |
| 374 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S358 A370 S371 D372 M377 V378 A399 | S358-A374 WeakPolarHBondContact OG-CB 3.38Å; A370-A374 VanDerWaalsContact O-CB 3.29Å; A370-A374 WeakPolarHBondContact O-CB 3.21Å; A370-A374 PolarHBondContact O-N 2.98Å; S371-A374 WeakPolarHBondContact O-CB 3.4Å; S371-A374 PolarHBondContact O-N 3.11Å; D372-A374 VanDerWaalsContact C-N 3.32Å; D372-A374 PolarHBondContact O-N 3.26Å; A374-M377 PolarHBondContact O-N 3.24Å; A374-V378 WeakPolarHBondContact O-CG2 3.44Å; A374-V378 PolarHBondContact O-N 2.99Å; A374-A399 HydrophobicContact CB-CB 3.75Å |
| 375 | R | 98.6 | Very high | 98.1 | Very high | 71 Ų | 71 | 46 Ų | 46 | 27% | 0.268 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.7 | -50.6 | 177.4 | -70.6 | -169.4 | -57 | -86.5 | 5.8 | 111.2 | S371 D372 Y373 M377 V378 D379 N403 V411 M415 | S371-R375 WeakPolarHBondContact O-CG 3.35Å; S371-R375 PolarHBondContact O-N 2.76Å; S371-R375 PolarHBondContact O-NH1 3.12Å; S371-R375 PolarHBondContact OG-NH1 2.92Å; D372-R375 PolarHBondContact O-N 2.83Å; D372-R375 IonicContact OD1-CZ 2.81Å; D372-R375 IonicContact OD1-NH1 3.28Å; D372-R375 PolarHBondContact OD1-NH1 3.3Å; D372-R375 IonicContact OD1-NH2 3Å; D372-R375 PolarHBondContact OD1-NH2 2.97Å; Y373-R375 PolarHBondContact O-N 2.82Å; R375-M377 VanDerWaalsContact C-N 3.33Å; R375-M377 PolarHBondContact O-N 3.05Å; R375-V378 PolarHBondContact O-N 2.91Å; R375-D379 PolarHBondContact O-N 3.32Å; R375-N403 PolarHBondContact NH1-OD1 3.04Å; R375-V411 HydrophobicContact CG-CG1 4.27Å; R375-M415 HydrophobicContact CB-CE 4.37Å; R375-M415 HydrophobicContact CG-CE 3.82Å |
| 376 | R | 98.4 | Very high | 98.2 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 28% | 0.275 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 178.1 | -69 | 178 | 62.4 | -165.6 | -1.5 | 112.5 | D345 L354 D372 Y373 D379 G380 | D345-R376 IonicContact OD1-NE 2.71Å; D345-R376 IonicContact OD1-NH2 3.2Å; D345-R376 PolarHBondContact OD1-NH2 2.89Å; L354-R376 HydrophobicContact CD1-CB 3.98Å; L354-R376 HydrophobicContact CD2-CB 4.34Å; D372-R376 PolarHBondContact O-N 3.25Å; Y373-R376 PolarHBondContact O-N 2.85Å; R376-D379 PolarHBondContact O-N 3Å; R376-G380 PolarHBondContact O-N 2.92Å |
| 377 | M | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 176 | 179.3 | -164.1 | 63.3 | 0 | 0 | 111.3 | L354 S355 Y373 A374 R375 D379 G380 Y381 A395 | L354-M377 HydrophobicContact CB-CB 4.04Å; S355-M377 VanDerWaalsContact CA-SD 3.53Å; S355-M377 VanDerWaalsContact CB-SD 3.56Å; Y373-M377 WeakPolarHBondContact O-CB 3.27Å; Y373-M377 PolarHBondContact O-N 2.95Å; A374-M377 PolarHBondContact O-N 3.24Å; R375-M377 VanDerWaalsContact C-N 3.33Å; R375-M377 PolarHBondContact O-N 3.05Å; M377-D379 VanDerWaalsContact C-N 3.32Å; M377-D379 PolarHBondContact O-N 3.17Å; M377-G380 PolarHBondContact O-N 2.96Å; M377-Y381 HydrophobicContact CE-CE2 4.35Å; M377-Y381 HydrophobicContact CG-CD1 4.41Å; M377-Y381 HydrophobicContact CG-CD2 4.06Å; M377-Y381 HydrophobicContact CG-CE1 4.11Å; M377-Y381 HydrophobicContact CG-CE2 3.7Å; M377-Y381 HydrophobicContact CG-CG 4.39Å; M377-Y381 PolarHBondContact O-N 2.77Å; M377-Y381 HydrophobicContact SD-CD2 4.4Å; M377-Y381 HydrophobicContact SD-CE2 3.7Å; M377-A395 HydrophobicContact CE-CB 4.22Å |
| 378 | V | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 180 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | A374 R375 G380 Y381 M382 V396 A399 M415 | A374-V378 WeakPolarHBondContact O-CG2 3.44Å; A374-V378 PolarHBondContact O-N 2.99Å; R375-V378 PolarHBondContact O-N 2.91Å; V378-G380 VanDerWaalsContact C-N 3.31Å; V378-G380 PolarHBondContact O-N 2.79Å; V378-Y381 PolarHBondContact O-N 3.1Å; V378-M382 HydrophobicContact CG1-CG 4.09Å; V378-M382 WeakPolarHBondContact O-CB 3.24Å; V378-M382 VanDerWaalsContact O-CG 3.23Å; V378-M382 WeakPolarHBondContact O-CG 3.1Å; V378-M382 PolarHBondContact O-N 3.45Å; V378-V396 HydrophobicContact CG1-CG2 3.88Å; V378-V396 HydrophobicContact CG2-CG2 4.21Å; V378-A399 HydrophobicContact CG2-CB 3.5Å; V378-M415 HydrophobicContact CB-CE 4.36Å; V378-M415 HydrophobicContact CG1-CE 4.27Å |
| 379 | D | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 49% | 0.492 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 179.1 | -70.4 | -22.3 | 0 | 0 | 0 | 112.6 | R375 R376 M377 K383 | R375-D379 PolarHBondContact O-N 3.32Å; R376-D379 PolarHBondContact O-N 3Å; M377-D379 VanDerWaalsContact C-N 3.32Å; M377-D379 PolarHBondContact O-N 3.17Å; D379-K383 WeakPolarHBondContact O-CG 3.36Å |
| 380 | G | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -48.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R376 M377 V378 M382 K383 L384 | R376-G380 PolarHBondContact O-N 2.92Å; M377-G380 PolarHBondContact O-N 2.96Å; V378-G380 VanDerWaalsContact C-N 3.31Å; V378-G380 PolarHBondContact O-N 2.79Å; G380-M382 VanDerWaalsContact C-N 3.27Å; G380-M382 PolarHBondContact O-N 3.37Å; G380-K383 WeakPolarHBondContact O-CB 3.39Å; G380-K383 PolarHBondContact O-N 3.33Å; G380-L384 WeakPolarHBondContact O-CG 3.37Å; G380-L384 PolarHBondContact O-N 2.91Å |
| 381 | Y | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -38.4 | 179 | -77.2 | 3.8 | 0 | 0 | 0 | 112.9 | L256 L351 M377 V378 K383 L384 Y385 A395 | L256-Y381 HydrophobicContact CD1-CD1 3.86Å; L256-Y381 HydrophobicContact CD1-CE1 3.32Å; L256-Y381 HydrophobicContact CD1-CE2 4.49Å; L351-Y381 HydrophobicContact CB-CE1 3.89Å; L351-Y381 HydrophobicContact CD1-CD1 3.97Å; L351-Y381 HydrophobicContact CD1-CE1 4.07Å; L351-Y381 HydrophobicContact CD2-CD1 4.15Å; L351-Y381 HydrophobicContact CD2-CE1 4.22Å; L351-Y381 HydrophobicContact CG-CD1 4.47Å; L351-Y381 HydrophobicContact CG-CE1 4.3Å; M377-Y381 HydrophobicContact CE-CE2 4.35Å; M377-Y381 HydrophobicContact CG-CD1 4.41Å; M377-Y381 HydrophobicContact CG-CD2 4.06Å; M377-Y381 HydrophobicContact CG-CE1 4.11Å; M377-Y381 HydrophobicContact CG-CE2 3.7Å; M377-Y381 HydrophobicContact CG-CG 4.39Å; M377-Y381 PolarHBondContact O-N 2.77Å; M377-Y381 HydrophobicContact SD-CD2 4.4Å; M377-Y381 HydrophobicContact SD-CE2 3.7Å; V378-Y381 PolarHBondContact O-N 3.1Å; Y381-K383 PolarHBondContact O-N 3.4Å; Y381-L384 PolarHBondContact O-N 3.5Å; Y381-L384 VanDerWaalsContact O-N 3.09Å; Y381-Y385 HydrophobicContact CD1-CE2 4.37Å; Y381-Y385 HydrophobicContact CD2-CD2 4.5Å; Y381-Y385 HydrophobicContact CD2-CE2 4.1Å; Y381-Y385 HydrophobicContact CE2-CE2 4.47Å; Y381-Y385 HydrophobicContact CG-CD2 4.17Å; Y381-Y385 HydrophobicContact CG-CE2 4.06Å; Y381-Y385 PolarHBondContact O-N 3.36Å; Y381-A395 HydrophobicContact CD2-CB 3.8Å; Y381-A395 HydrophobicContact CE2-CB 3.93Å |
| 382 | M | 98.3 | Very high | 98.1 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 28% | 0.281 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.3 | -24.1 | 176.7 | -77.5 | -60.9 | -39.6 | 0 | 0 | 114 | V378 G380 L392 K418 | V378-M382 HydrophobicContact CG1-CG 4.09Å; V378-M382 WeakPolarHBondContact O-CB 3.24Å; V378-M382 VanDerWaalsContact O-CG 3.23Å; V378-M382 WeakPolarHBondContact O-CG 3.1Å; V378-M382 PolarHBondContact O-N 3.45Å; G380-M382 VanDerWaalsContact C-N 3.27Å; G380-M382 PolarHBondContact O-N 3.37Å; M382-L392 HydrophobicContact CE-CD2 4.4Å; M382-L392 HydrophobicContact CG-CD1 4.32Å; M382-L392 HydrophobicContact SD-CD1 3.81Å; M382-L392 HydrophobicContact SD-CD2 3.8Å; M382-L392 HydrophobicContact SD-CG 4.19Å; M382-K418 HydrophobicContact SD-CD 4.33Å; M382-K418 WeakPolarHBondContact SD-CE 3.45Å; M382-K418 PolarHBondContact SD-NZ 3.47Å |
| 383 | K | 98.3 | Very high | 98.1 | Very high | 116 Ų | 116 | 37.6 Ų | 37.6 | 50% | 0.504 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -87.3 | -21.9 | 176.6 | -63.4 | 167.1 | -174.1 | 172.1 | 0 | 112 | K284 T346 D379 G380 Y381 | K284-K383 PolarHBondContact NZ-O 3.07Å; T346-K383 HydrophobicContact CG2-CB 4.03Å; T346-K383 HydrophobicContact CG2-CD 3.58Å; T346-K383 HydrophobicContact CG2-CG 4.45Å; D379-K383 WeakPolarHBondContact O-CG 3.36Å; G380-K383 WeakPolarHBondContact O-CB 3.39Å; G380-K383 PolarHBondContact O-N 3.33Å; Y381-K383 PolarHBondContact O-N 3.4Å |
| 384 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -99.6 | -55.7 | -170.5 | -63.9 | 174.6 | 0 | 0 | 0 | 112.2 | F255 L256 K284 L287 F288 L351 G380 Y381 | F255-L384 WeakPolarHBondContact CE1-O 3.45Å; L256-L384 HydrophobicContact CD2-CB 3.83Å; L256-L384 HydrophobicContact CD2-CD1 3.88Å; K284-L384 PolarHBondContact NZ-O 3.06Å; L287-L384 HydrophobicContact CB-CD2 3.69Å; L287-L384 HydrophobicContact CD1-CD2 4.33Å; F288-L384 HydrophobicContact CD1-CD1 3.88Å; F288-L384 HydrophobicContact CD1-CD2 3.66Å; F288-L384 HydrophobicContact CD1-CG 4.27Å; F288-L384 HydrophobicContact CE1-CB 4.01Å; F288-L384 HydrophobicContact CE1-CD1 3.84Å; F288-L384 HydrophobicContact CE1-CD2 3.68Å; F288-L384 HydrophobicContact CE1-CG 4.03Å; L351-L384 HydrophobicContact CD1-CD1 3.4Å; G380-L384 WeakPolarHBondContact O-CG 3.37Å; G380-L384 PolarHBondContact O-N 2.91Å; Y381-L384 PolarHBondContact O-N 3.5Å; Y381-L384 VanDerWaalsContact O-N 3.09Å |
| 385 | Y | 98.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -72.1 | 160.8 | -175.5 | -80 | -62.9 | 0 | 0 | 0 | 113.5 | D254 F255 L256 Y381 N389 Q391 L392 | D254-Y385 PolarHBondContact OD1-OH 2.86Å; D254-Y385 PolarHBondContact OD2-OH 3.45Å; F255-Y385 HydrophobicContact CB-CD1 4.17Å; F255-Y385 HydrophobicContact CB-CE1 4.02Å; F255-Y385 HydrophobicContact CD1-CD1 4.32Å; L256-Y385 HydrophobicContact CD1-CD2 4.47Å; L256-Y385 HydrophobicContact CD1-CE1 4.44Å; L256-Y385 HydrophobicContact CD1-CE2 3.47Å; L256-Y385 VanDerWaalsContact CD1-CE2 3.47Å; L256-Y385 VanDerWaalsContact CD1-CZ 3.47Å; L256-Y385 WeakPolarHBondContact CD1-OH 3.42Å; L256-Y385 HydrophobicContact CD2-CD1 4.46Å; L256-Y385 HydrophobicContact CD2-CD2 4.16Å; L256-Y385 HydrophobicContact CD2-CE1 4.17Å; L256-Y385 HydrophobicContact CD2-CE2 3.86Å; L256-Y385 HydrophobicContact CD2-CG 4.47Å; L256-Y385 HydrophobicContact CG-CD2 4.45Å; L256-Y385 HydrophobicContact CG-CE1 3.83Å; L256-Y385 HydrophobicContact CG-CE2 3.67Å; L256-Y385 VanDerWaalsContact CG-OH 3.3Å; L256-Y385 WeakPolarHBondContact CG-OH 3.34Å; Y381-Y385 HydrophobicContact CD1-CE2 4.37Å; Y381-Y385 HydrophobicContact CD2-CD2 4.5Å; Y381-Y385 HydrophobicContact CD2-CE2 4.1Å; Y381-Y385 HydrophobicContact CE2-CE2 4.47Å; Y381-Y385 HydrophobicContact CG-CD2 4.17Å; Y381-Y385 HydrophobicContact CG-CE2 4.06Å; Y381-Y385 PolarHBondContact O-N 3.36Å; Y385-N389 HydrophobicContact CD1-CB 4.16Å; Y385-N389 HydrophobicContact CG-CB 4.29Å; Y385-Q391 HydrophobicContact CE1-CB 4.42Å; Y385-Q391 HydrophobicContact CE2-CB 4.47Å; Y385-L392 HydrophobicContact CD2-CB 4.06Å; Y385-L392 HydrophobicContact CD2-CD1 4.43Å; Y385-L392 HydrophobicContact CG-CB 4.26Å |
| 386 | H | 97.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 33 Ų | 33 | 17% | 0.167 | 16% | 0.164 | C | C | . | . | trans | -59.1 | 139.7 | 162.8 | -177.5 | -92.8 | 0 | 0 | 0 | 109.9 | W209 N388 N389 | W209-H386 HydrophobicContact CD2-CB 4.39Å; W209-H386 AromaticContact CE2-CD2 3.58Å; W209-H386 HydrophobicContact CE3-CB 4.39Å; W209-H386 HydrophobicContact CH2-CB 3.73Å; W209-H386 HydrophobicContact CZ2-CB 3.67Å; W209-H386 AromaticContact CZ2-CD2 3.52Å; W209-H386 AromaticContact CZ2-CG 3.99Å; W209-H386 HydrophobicContact CZ3-CB 4.08Å; W209-H386 AromaticContact NE1-CD2 3.56Å; H386-N388 PolarHBondContact ND1-N 3.08Å; H386-N388 PolarHBondContact O-N 3.48Å; H386-N388 VanDerWaalsContact O-N 3.15Å; H386-N389 HydrophobicContact CB-CB 4.23Å; H386-N389 WeakPolarHBondContact O-CB 3.36Å; H386-N389 PolarHBondContact O-N 2.91Å | ||
| 387 | P | 97.7 | Very high | 97.9 | Very high | 77 Ų | 77 | 30.3 Ų | 30.3 | 50% | 0.5 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -32 | -177.3 | -28.2 | 35.9 | 0 | 0 | 0 | 114.4 | I422 | P387-I422 WeakPolarHBondContact O-CD1 3.4Å; P387-I422 WeakPolarHBondContact O-CG1 3.3Å |
| 388 | N | 98.1 | Very high | 97.9 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 26.2 | 174.9 | -63.1 | -34 | 0 | 0 | 0 | 113.1 | L239 H386 V425 T426 | L239-N388 HydrophobicContact CD2-CB 4.02Å; L239-N388 WeakPolarHBondContact CD2-O 3.27Å; L239-N388 PolarHBondContact O-ND2 3.23Å; H386-N388 PolarHBondContact ND1-N 3.08Å; H386-N388 PolarHBondContact O-N 3.48Å; H386-N388 VanDerWaalsContact O-N 3.15Å; N388-V425 HydrophobicContact CB-CB 4.46Å; N388-V425 HydrophobicContact CB-CG1 3.95Å; N388-T426 WeakPolarHBondContact O-CG2 3.39Å |
| 389 | N | 98.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 17% | 0.166 | 17% | 0.167 | C | C | . | . | trans | -73 | 134.9 | 177.1 | -177.8 | -80.2 | 0 | 0 | 0 | 111.3 | Y385 H386 Q391 L392 G393 I422 | Y385-N389 HydrophobicContact CD1-CB 4.16Å; Y385-N389 HydrophobicContact CG-CB 4.29Å; H386-N389 HydrophobicContact CB-CB 4.23Å; H386-N389 WeakPolarHBondContact O-CB 3.36Å; H386-N389 PolarHBondContact O-N 2.91Å; N389-Q391 PolarHBondContact O-N 3.09Å; N389-Q391 WeakPolarHBondContact OD1-CA 3.49Å; N389-Q391 VanDerWaalsContact OD1-CB 3.24Å; N389-Q391 WeakPolarHBondContact OD1-CB 3.46Å; N389-Q391 PolarHBondContact OD1-N 3.36Å; N389-L392 HydrophobicContact CB-CB 4.04Å; N389-L392 WeakPolarHBondContact O-CB 3.23Å; N389-L392 PolarHBondContact O-N 3.35Å; N389-L392 PolarHBondContact OD1-N 3.4Å; N389-G393 PolarHBondContact O-N 2.94Å; N389-I422 WeakPolarHBondContact O-CG2 3.29Å | ||
| 390 | A | 96.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 13% | 0.132 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G393 M394 T426 | A390-G393 PolarHBondContact O-N 2.9Å; A390-M394 VanDerWaalsContact O-CG 3.29Å; A390-M394 WeakPolarHBondContact O-CG 3.45Å; A390-M394 PolarHBondContact O-N 2.97Å; A390-T426 HydrophobicContact CB-CG2 4.12Å |
| 391 | Q | 95.3 | Very high | 97.8 | Very high | 98 Ų | 98 | 31.2 Ų | 31.2 | 46% | 0.458 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.5 | -56.7 | -56.3 | -30.3 | 0 | 0 | 111.5 | Y385 N389 M394 A395 | Y385-Q391 HydrophobicContact CE1-CB 4.42Å; Y385-Q391 HydrophobicContact CE2-CB 4.47Å; N389-Q391 PolarHBondContact O-N 3.09Å; N389-Q391 WeakPolarHBondContact OD1-CA 3.49Å; N389-Q391 VanDerWaalsContact OD1-CB 3.24Å; N389-Q391 WeakPolarHBondContact OD1-CB 3.46Å; N389-Q391 PolarHBondContact OD1-N 3.36Å; Q391-M394 PolarHBondContact O-N 2.74Å; Q391-A395 VanDerWaalsContact O-CB 3.28Å; Q391-A395 WeakPolarHBondContact O-CB 3.3Å; Q391-A395 PolarHBondContact O-N 3.08Å |
| 392 | L | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -50 | 171.4 | 177.7 | 64.8 | 0 | 0 | 0 | 110.8 | M382 Y385 N389 M394 A395 V396 I422 | M382-L392 HydrophobicContact CE-CD2 4.4Å; M382-L392 HydrophobicContact CG-CD1 4.32Å; M382-L392 HydrophobicContact SD-CD1 3.81Å; M382-L392 HydrophobicContact SD-CD2 3.8Å; M382-L392 HydrophobicContact SD-CG 4.19Å; Y385-L392 HydrophobicContact CD2-CB 4.06Å; Y385-L392 HydrophobicContact CD2-CD1 4.43Å; Y385-L392 HydrophobicContact CG-CB 4.26Å; N389-L392 HydrophobicContact CB-CB 4.04Å; N389-L392 WeakPolarHBondContact O-CB 3.23Å; N389-L392 PolarHBondContact O-N 3.35Å; N389-L392 PolarHBondContact OD1-N 3.4Å; L392-M394 VanDerWaalsContact C-N 3.33Å; L392-M394 PolarHBondContact O-N 3.18Å; L392-A395 PolarHBondContact O-N 3.06Å; L392-V396 HydrophobicContact CD1-CG2 3.94Å; L392-V396 HydrophobicContact CG-CG2 4.29Å; L392-V396 WeakPolarHBondContact O-CB 3.26Å; L392-V396 WeakPolarHBondContact O-CG2 3.16Å; L392-V396 PolarHBondContact O-N 3.12Å; L392-I422 HydrophobicContact CD2-CD1 4.11Å; L392-I422 HydrophobicContact CG-CD1 4.09Å |
| 393 | G | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N389 A390 V396 M397 A419 L423 | N389-G393 PolarHBondContact O-N 2.94Å; A390-G393 PolarHBondContact O-N 2.9Å; G393-V396 PolarHBondContact O-N 3.32Å; G393-M397 WeakPolarHBondContact O-CB 3.31Å; G393-M397 PolarHBondContact O-N 3.46Å; G393-A419 WeakPolarHBondContact O-CB 3.38Å; G393-L423 VanDerWaalsContact C-CD1 3.49Å |
| 394 | M | 96.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.044 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 177.8 | -68.1 | -61 | -72.5 | 0 | 0 | 113 | A390 Q391 L392 M397 R398 L423 I433 | A390-M394 VanDerWaalsContact O-CG 3.29Å; A390-M394 WeakPolarHBondContact O-CG 3.45Å; A390-M394 PolarHBondContact O-N 2.97Å; Q391-M394 PolarHBondContact O-N 2.74Å; L392-M394 VanDerWaalsContact C-N 3.33Å; L392-M394 PolarHBondContact O-N 3.18Å; M394-M397 HydrophobicContact CE-CE 3.56Å; M394-M397 PolarHBondContact O-N 2.87Å; M394-M397 HydrophobicContact SD-CE 3.8Å; M394-R398 WeakPolarHBondContact O-CG 3.32Å; M394-R398 PolarHBondContact O-N 2.93Å; M394-R398 VanDerWaalsContact O-N 3.08Å; M394-L423 HydrophobicContact SD-CD2 4.05Å; M394-I433 HydrophobicContact CE-CD1 4.02Å; M394-I433 HydrophobicContact CE-CG2 4.21Å; M394-I433 HydrophobicContact SD-CD1 4.29Å; M394-I433 HydrophobicContact SD-CG2 3.91Å |
| 395 | A | 97.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.9 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M377 Y381 Q391 L392 M397 R398 A399 | M377-A395 HydrophobicContact CE-CB 4.22Å; Y381-A395 HydrophobicContact CD2-CB 3.8Å; Y381-A395 HydrophobicContact CE2-CB 3.93Å; Q391-A395 VanDerWaalsContact O-CB 3.28Å; Q391-A395 WeakPolarHBondContact O-CB 3.3Å; Q391-A395 PolarHBondContact O-N 3.08Å; L392-A395 PolarHBondContact O-N 3.06Å; A395-M397 VanDerWaalsContact C-N 3.32Å; A395-M397 PolarHBondContact O-N 3.05Å; A395-R398 PolarHBondContact O-N 3.15Å; A395-A399 WeakPolarHBondContact O-CB 3.17Å; A395-A399 PolarHBondContact O-N 3.02Å |
| 396 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | V378 L392 G393 A399 G400 M415 K418 A419 | V378-V396 HydrophobicContact CG1-CG2 3.88Å; V378-V396 HydrophobicContact CG2-CG2 4.21Å; L392-V396 HydrophobicContact CD1-CG2 3.94Å; L392-V396 HydrophobicContact CG-CG2 4.29Å; L392-V396 WeakPolarHBondContact O-CB 3.26Å; L392-V396 WeakPolarHBondContact O-CG2 3.16Å; L392-V396 PolarHBondContact O-N 3.12Å; G393-V396 PolarHBondContact O-N 3.32Å; V396-A399 PolarHBondContact O-N 3.32Å; V396-G400 PolarHBondContact O-N 3.28Å; V396-M415 HydrophobicContact CG1-CB 4.05Å; V396-M415 VanDerWaalsContact CG1-O 3.25Å; V396-M415 WeakPolarHBondContact CG1-O 3.4Å; V396-K418 HydrophobicContact CG1-CB 4.16Å; V396-K418 HydrophobicContact CG1-CD 4.46Å; V396-K418 HydrophobicContact CG1-CG 4.39Å; V396-A419 HydrophobicContact CB-CB 4.2Å; V396-A419 HydrophobicContact CG1-CB 4.01Å |
| 397 | M | 98.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.6 | -55.6 | 173.9 | 179.1 | 177.9 | 72.9 | 0 | 0 | 110.5 | G393 M394 A395 A399 G400 L401 A419 L423 I433 L437 | G393-M397 WeakPolarHBondContact O-CB 3.31Å; G393-M397 PolarHBondContact O-N 3.46Å; M394-M397 HydrophobicContact CE-CE 3.56Å; M394-M397 PolarHBondContact O-N 2.87Å; M394-M397 HydrophobicContact SD-CE 3.8Å; A395-M397 VanDerWaalsContact C-N 3.32Å; A395-M397 PolarHBondContact O-N 3.05Å; M397-A399 VanDerWaalsContact C-N 3.35Å; M397-A399 PolarHBondContact O-N 3.13Å; M397-G400 PolarHBondContact O-N 3.37Å; M397-G400 VanDerWaalsContact O-N 3.13Å; M397-L401 HydrophobicContact CG-CD1 3.84Å; M397-L401 WeakPolarHBondContact O-CD1 3.42Å; M397-L401 PolarHBondContact O-N 2.83Å; M397-A419 HydrophobicContact CB-CB 3.77Å; M397-L423 HydrophobicContact SD-CD2 4.4Å; M397-I433 HydrophobicContact CE-CG2 4.05Å; M397-I433 HydrophobicContact SD-CG2 4.01Å; M397-L437 HydrophobicContact CG-CD1 3.78Å; M397-L437 HydrophobicContact CG-CD2 4.26Å; M397-L437 HydrophobicContact SD-CB 4.35Å; M397-L437 HydrophobicContact SD-CD1 4.05Å; M397-L437 HydrophobicContact SD-CD2 4.06Å; M397-L437 HydrophobicContact SD-CG 4.4Å |
| 398 | R | 97.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 25 Ų | 25 | 31% | 0.313 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -58.5 | -45.4 | -179.6 | -72.9 | -173.3 | -66.6 | -90.1 | 2 | 112 | M394 A395 G400 L401 T402 | M394-R398 WeakPolarHBondContact O-CG 3.32Å; M394-R398 PolarHBondContact O-N 2.93Å; M394-R398 VanDerWaalsContact O-N 3.08Å; A395-R398 PolarHBondContact O-N 3.15Å; R398-G400 VanDerWaalsContact C-N 3.31Å; R398-G400 PolarHBondContact O-N 2.85Å; R398-L401 PolarHBondContact O-N 2.73Å; R398-T402 PolarHBondContact O-N 2.77Å; R398-T402 PolarHBondContact O-OG1 3.33Å |
| 399 | A | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A374 V378 A395 V396 M397 T402 N403 M415 | A374-A399 HydrophobicContact CB-CB 3.75Å; V378-A399 HydrophobicContact CG2-CB 3.5Å; A395-A399 WeakPolarHBondContact O-CB 3.17Å; A395-A399 PolarHBondContact O-N 3.02Å; V396-A399 PolarHBondContact O-N 3.32Å; M397-A399 VanDerWaalsContact C-N 3.35Å; M397-A399 PolarHBondContact O-N 3.13Å; A399-T402 PolarHBondContact O-N 3.29Å; A399-N403 PolarHBondContact O-N 3.4Å; A399-N403 PolarHBondContact O-ND2 2.95Å; A399-M415 HydrophobicContact CB-SD 3.79Å |
| 400 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V396 M397 R398 N403 W404 G412 | V396-G400 PolarHBondContact O-N 3.28Å; M397-G400 PolarHBondContact O-N 3.37Å; M397-G400 VanDerWaalsContact O-N 3.13Å; R398-G400 VanDerWaalsContact C-N 3.31Å; R398-G400 PolarHBondContact O-N 2.85Å; G400-N403 PolarHBondContact O-N 3.38Å; G400-W404 WeakPolarHBondContact O-CB 3.42Å; G400-W404 PolarHBondContact O-N 2.94Å; G400-G412 WeakPolarHBondContact O-CA 3.37Å |
| 401 | L | 97.6 | Very high | 97.2 | Very high | 40 Ų | 40 | 28.6 Ų | 28.6 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 173.7 | -86.4 | 74.9 | 0 | 0 | 0 | 111.6 | M397 R398 N403 W404 H405 I416 M440 | M397-L401 HydrophobicContact CG-CD1 3.84Å; M397-L401 WeakPolarHBondContact O-CD1 3.42Å; M397-L401 PolarHBondContact O-N 2.83Å; R398-L401 PolarHBondContact O-N 2.73Å; L401-N403 PolarHBondContact O-N 3.11Å; L401-W404 PolarHBondContact O-N 3.06Å; L401-H405 PolarHBondContact O-CD2 2.91Å; L401-H405 PolarHBondContact O-N 2.93Å; L401-I416 HydrophobicContact CD1-CD1 4.35Å; L401-I416 HydrophobicContact CD1-CG1 4.26Å; L401-M440 HydrophobicContact CD1-CE 4.29Å; L401-M440 HydrophobicContact CD1-SD 3.81Å; L401-M440 HydrophobicContact CD2-CE 4.46Å; L401-M440 HydrophobicContact CD2-SD 3.71Å; L401-M440 HydrophobicContact CG-SD 3.92Å |
| 402 | T | 98.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | S362 F367 A370 R398 A399 H405 A406 | S362-T402 WeakPolarHBondContact OG-CG2 3.19Å; S362-T402 PolarHBondContact OG-OG1 2.93Å; S362-T402 VanDerWaalsContact OG-OG1 3.07Å; F367-T402 HydrophobicContact CD1-CG2 4.46Å; A370-T402 HydrophobicContact CB-CG2 3.47Å; A370-T402 VanDerWaalsContact CB-CG2 3.47Å; R398-T402 PolarHBondContact O-N 2.77Å; R398-T402 PolarHBondContact O-OG1 3.33Å; A399-T402 PolarHBondContact O-N 3.29Å; T402-H405 PolarHBondContact O-N 3.49Å; T402-A406 WeakPolarHBondContact O-CB 3.38Å; T402-A406 PolarHBondContact O-N 3.37Å |
| 403 | N | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.5 | -80.9 | -91.5 | 0 | 0 | 0 | 111.7 | R375 A399 G400 L401 H405 A406 G407 N408 V411 | R375-N403 PolarHBondContact NH1-OD1 3.04Å; A399-N403 PolarHBondContact O-N 3.4Å; A399-N403 PolarHBondContact O-ND2 2.95Å; G400-N403 PolarHBondContact O-N 3.38Å; L401-N403 PolarHBondContact O-N 3.11Å; N403-H405 PolarHBondContact O-N 3.14Å; N403-A406 WeakPolarHBondContact O-CB 3.45Å; N403-A406 PolarHBondContact O-N 2.81Å; N403-G407 PolarHBondContact O-N 3.49Å; N403-N408 HydrophobicContact CB-CB 4.18Å; N403-N408 WeakPolarHBondContact O-CB 3.35Å; N403-N408 PolarHBondContact O-N 2.96Å; N403-V411 HydrophobicContact CB-CB 4.47Å; N403-V411 HydrophobicContact CB-CG1 4.32Å |
| 404 | W | 97.2 | Very high | 97.4 | Very high | 24 Ų | 24 | 27.1 Ų | 27.1 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.1 | 177.8 | 31.4 | 0 | 0 | 0 | 111.6 | G400 L401 G407 I416 M440 Q443 T444 E447 R462 | G400-W404 WeakPolarHBondContact O-CB 3.42Å; G400-W404 PolarHBondContact O-N 2.94Å; L401-W404 PolarHBondContact O-N 3.06Å; W404-G407 PolarHBondContact O-N 3.17Å; W404-G407 VanDerWaalsContact O-N 3.09Å; W404-I416 HydrophobicContact CE3-CD1 4.3Å; W404-M440 HydrophobicContact CZ3-CB 4.46Å; W404-M440 HydrophobicContact CZ3-CG 4.33Å; W404-Q443 HydrophobicContact CH2-CB 4.17Å; W404-Q443 HydrophobicContact CZ2-CB 4.37Å; W404-T444 HydrophobicContact CB-CG2 4.45Å; W404-T444 HydrophobicContact CD2-CG2 3.38Å; W404-T444 HydrophobicContact CE3-CG2 3.73Å; W404-T444 HydrophobicContact CG-CG2 3.72Å; W404-T444 HydrophobicContact CH2-CG2 4.25Å; W404-T444 HydrophobicContact CZ2-CG2 3.96Å; W404-T444 HydrophobicContact CZ3-CG2 4.14Å; W404-E447 WeakPolarHBondContact CZ2-OE1 3.31Å; W404-E447 VanDerWaalsContact NE1-CD 3.35Å; W404-E447 PolarHBondContact NE1-OE1 3.36Å; W404-E447 PolarHBondContact NE1-OE2 3.3Å; W404-R462 PolarHBondContact O-NH1 3.17Å; W404-R462 PolarHBondContact O-NH2 2.94Å |
| 405 | H | 95.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 27.7 Ų | 27.7 | 39% | 0.389 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68.1 | -30.9 | 175.6 | -69.8 | -46 | 0 | 0 | 0 | 113.6 | F367 L401 T402 N403 G407 R462 | F367-H405 HydrophobicContact CB-CB 4.16Å; F367-H405 HydrophobicContact CD1-CB 3.64Å; F367-H405 HydrophobicContact CD2-CB 3.78Å; F367-H405 HydrophobicContact CE1-CB 3.9Å; F367-H405 HydrophobicContact CE2-CB 4.02Å; F367-H405 HydrophobicContact CG-CB 3.58Å; F367-H405 HydrophobicContact CZ-CB 4.07Å; L401-H405 PolarHBondContact O-CD2 2.91Å; L401-H405 PolarHBondContact O-N 2.93Å; T402-H405 PolarHBondContact O-N 3.49Å; N403-H405 PolarHBondContact O-N 3.14Å; H405-G407 PolarHBondContact O-N 2.86Å; H405-R462 PolarHBondContact O-NH2 2.83Å |
| 406 | A | 95.4 | Very high | 97.6 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -17.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F367 T402 N403 | F367-A406 HydrophobicContact CB-CB 4.05Å; T402-A406 WeakPolarHBondContact O-CB 3.38Å; T402-A406 PolarHBondContact O-N 3.37Å; N403-A406 WeakPolarHBondContact O-CB 3.45Å; N403-A406 PolarHBondContact O-N 2.81Å |
| 407 | G | 94.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 1.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N403 W404 H405 I409 | N403-G407 PolarHBondContact O-N 3.49Å; W404-G407 PolarHBondContact O-N 3.17Å; W404-G407 VanDerWaalsContact O-N 3.09Å; H405-G407 PolarHBondContact O-N 2.86Å; G407-I409 PolarHBondContact O-N 3.28Å |
| 408 | N | 96 | Very high | 97.6 | Very high | 45 Ų | 45 | 33.1 Ų | 33.1 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | trans | -76.4 | 63.9 | 174.4 | -62.8 | -36.2 | 0 | 0 | 0 | 110.3 | S371 N403 E410 V411 G412 | S371-N408 PolarHBondContact OG-ND2 2.86Å; N403-N408 HydrophobicContact CB-CB 4.18Å; N403-N408 WeakPolarHBondContact O-CB 3.35Å; N403-N408 PolarHBondContact O-N 2.96Å; N408-E410 PolarHBondContact O-N 3.47Å; N408-V411 PolarHBondContact O-N 2.85Å; N408-G412 PolarHBondContact O-N 3.48Å | ||
| 409 | I | 97.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -39.4 | -167 | -174.3 | 59.5 | 0 | 0 | 0 | 113.4 | G407 G412 H413 T444 E447 L448 F451 Y458 | G407-I409 PolarHBondContact O-N 3.28Å; I409-G412 PolarHBondContact O-N 3.02Å; I409-H413 VanDerWaalsContact O-CB 3.26Å; I409-H413 WeakPolarHBondContact O-CB 3.44Å; I409-H413 PolarHBondContact O-N 3.33Å; I409-T444 HydrophobicContact CD1-CG2 4.25Å; I409-E447 HydrophobicContact CD1-CB 3.77Å; I409-E447 HydrophobicContact CG1-CB 4.15Å; I409-L448 HydrophobicContact CG1-CB 4.12Å; I409-L448 HydrophobicContact CG1-CD1 4.49Å; I409-L448 HydrophobicContact CG2-CD1 4.39Å; I409-F451 HydrophobicContact CG2-CB 3.88Å; I409-F451 HydrophobicContact CG2-CD1 3.81Å; I409-F451 HydrophobicContact CG2-CD2 3.91Å; I409-F451 HydrophobicContact CG2-CE1 4.33Å; I409-F451 HydrophobicContact CG2-CE2 4.39Å; I409-F451 HydrophobicContact CG2-CG 3.59Å; I409-Y458 HydrophobicContact CG2-CE1 4.38Å |
| 410 | E | 97.6 | Very high | 97.7 | Very high | 100 Ų | 100 | 30.8 Ų | 30.8 | 47% | 0.467 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64 | -46.4 | 179.9 | -56.7 | -157.4 | 102.2 | 0 | 0 | 111.5 | N408 G414 L448 F451 R452 | N408-E410 PolarHBondContact O-N 3.47Å; E410-G414 PolarHBondContact O-N 3.09Å; E410-G414 VanDerWaalsContact O-N 3.07Å; E410-L448 HydrophobicContact CB-CD1 4.39Å; E410-L448 HydrophobicContact CG-CD1 3.71Å; E410-F451 HydrophobicContact CG-CD1 4.14Å; E410-F451 HydrophobicContact CG-CE1 3.79Å; E410-R452 IonicContact OE1-NE 3.87Å; E410-R452 IonicContact OE1-NH2 2.84Å |
| 411 | V | 98.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 36% | 0.358 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.4 | -46.8 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | R375 N403 N408 H413 G414 M415 | R375-V411 HydrophobicContact CG-CG1 4.27Å; N403-V411 HydrophobicContact CB-CB 4.47Å; N403-V411 HydrophobicContact CB-CG1 4.32Å; N408-V411 PolarHBondContact O-N 2.85Å; V411-H413 PolarHBondContact O-N 2.86Å; V411-G414 PolarHBondContact O-N 2.79Å; V411-M415 HydrophobicContact CG1-CE 3.95Å; V411-M415 HydrophobicContact CG1-CG 4.36Å; V411-M415 HydrophobicContact CG1-SD 4.15Å; V411-M415 WeakPolarHBondContact O-CG 3.37Å; V411-M415 PolarHBondContact O-N 2.68Å |
| 412 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.8 | -49.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G400 N408 I409 M415 I416 | G400-G412 WeakPolarHBondContact O-CA 3.37Å; N408-G412 PolarHBondContact O-N 3.48Å; I409-G412 PolarHBondContact O-N 3.02Å; G412-M415 PolarHBondContact O-N 3.09Å; G412-I416 WeakPolarHBondContact O-CB 3.44Å; G412-I416 WeakPolarHBondContact O-CG1 3.28Å; G412-I416 PolarHBondContact O-N 3.05Å |
| 413 | H | 98.6 | Very high | 97.7 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 13% | 0.125 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 176.8 | -178.3 | 59.3 | 0 | 0 | 0 | 112.3 | I409 V411 M415 I416 C417 T444 L448 | I409-H413 VanDerWaalsContact O-CB 3.26Å; I409-H413 WeakPolarHBondContact O-CB 3.44Å; I409-H413 PolarHBondContact O-N 3.33Å; V411-H413 PolarHBondContact O-N 2.86Å; H413-M415 VanDerWaalsContact C-N 3.33Å; H413-M415 PolarHBondContact O-N 3.31Å; H413-I416 PolarHBondContact O-N 3.27Å; H413-C417 PolarHBondContact CE1-SG 3.25Å; H413-C417 WeakPolarHBondContact O-CB 3.47Å; H413-C417 PolarHBondContact O-N 3.05Å; H413-T444 PolarHBondContact ND1-OG1 3.34Å; H413-L448 HydrophobicContact CB-CD2 4.23Å; H413-L448 WeakPolarHBondContact CD2-CD2 3.35Å |
| 414 | G | 98.7 | Very high | 97.7 | Very high | 40 Ų | 40 | 34 Ų | 34 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E410 V411 K418 | E410-G414 PolarHBondContact O-N 3.09Å; E410-G414 VanDerWaalsContact O-N 3.07Å; V411-G414 PolarHBondContact O-N 2.79Å; G414-K418 PolarHBondContact O-N 3.29Å; G414-K418 VanDerWaalsContact O-N 3.09Å |
| 415 | M | 98.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 11% | 0.108 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -44.4 | 175.2 | -71.8 | -172.8 | 170.5 | 0 | 0 | 112.1 | R375 V378 V396 A399 V411 G412 H413 C417 K418 A419 | R375-M415 HydrophobicContact CB-CE 4.37Å; R375-M415 HydrophobicContact CG-CE 3.82Å; V378-M415 HydrophobicContact CB-CE 4.36Å; V378-M415 HydrophobicContact CG1-CE 4.27Å; V396-M415 HydrophobicContact CG1-CB 4.05Å; V396-M415 VanDerWaalsContact CG1-O 3.25Å; V396-M415 WeakPolarHBondContact CG1-O 3.4Å; A399-M415 HydrophobicContact CB-SD 3.79Å; V411-M415 HydrophobicContact CG1-CE 3.95Å; V411-M415 HydrophobicContact CG1-CG 4.36Å; V411-M415 HydrophobicContact CG1-SD 4.15Å; V411-M415 WeakPolarHBondContact O-CG 3.37Å; V411-M415 PolarHBondContact O-N 2.68Å; G412-M415 PolarHBondContact O-N 3.09Å; H413-M415 VanDerWaalsContact C-N 3.33Å; H413-M415 PolarHBondContact O-N 3.31Å; M415-C417 VanDerWaalsContact C-N 3.33Å; M415-C417 PolarHBondContact O-N 3.13Å; M415-K418 PolarHBondContact O-N 2.8Å; M415-K418 VanDerWaalsContact O-N 3.15Å; M415-A419 WeakPolarHBondContact O-CB 3.37Å; M415-A419 PolarHBondContact O-N 3.43Å |
| 416 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 177 | -77.4 | 164 | 0 | 0 | 0 | 111.3 | L401 W404 G412 H413 K418 A419 Y420 L437 R441 T444 | L401-I416 HydrophobicContact CD1-CD1 4.35Å; L401-I416 HydrophobicContact CD1-CG1 4.26Å; W404-I416 HydrophobicContact CE3-CD1 4.3Å; G412-I416 WeakPolarHBondContact O-CB 3.44Å; G412-I416 WeakPolarHBondContact O-CG1 3.28Å; G412-I416 PolarHBondContact O-N 3.05Å; H413-I416 PolarHBondContact O-N 3.27Å; I416-K418 PolarHBondContact O-N 3.42Å; I416-A419 PolarHBondContact O-N 2.79Å; I416-Y420 WeakPolarHBondContact O-CB 3.19Å; I416-Y420 PolarHBondContact O-N 3.43Å; I416-L437 HydrophobicContact CB-CD1 4.48Å; I416-L437 HydrophobicContact CG1-CD1 4.43Å; I416-L437 HydrophobicContact CG2-CD1 3.81Å; I416-R441 HydrophobicContact CG2-CB 3.77Å; I416-R441 HydrophobicContact CG2-CG 4.12Å; I416-T444 HydrophobicContact CD1-CG2 3.7Å |
| 417 | C | 98.8 | Very high | 98 | Very high | 42 Ų | 42 | 29.1 Ų | 29.1 | 28% | 0.284 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.8 | -77.8 | 0 | 0 | 0 | 0 | 112.4 | H413 M415 Y420 A421 | H413-C417 PolarHBondContact CE1-SG 3.25Å; H413-C417 WeakPolarHBondContact O-CB 3.47Å; H413-C417 PolarHBondContact O-N 3.05Å; M415-C417 VanDerWaalsContact C-N 3.33Å; M415-C417 PolarHBondContact O-N 3.13Å; C417-Y420 PolarHBondContact O-N 2.92Å; C417-A421 PolarHBondContact O-N 3.17Å |
| 418 | K | 98.7 | Very high | 98.1 | Very high | 92 Ų | 92 | 29 Ų | 29 | 40% | 0.4 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.3 | -43.8 | 177.6 | -172 | 174.1 | -167.5 | 173.2 | 0 | 112.2 | M382 V396 G414 M415 I416 Y420 A421 I422 | M382-K418 HydrophobicContact SD-CD 4.33Å; M382-K418 WeakPolarHBondContact SD-CE 3.45Å; M382-K418 PolarHBondContact SD-NZ 3.47Å; V396-K418 HydrophobicContact CG1-CB 4.16Å; V396-K418 HydrophobicContact CG1-CD 4.46Å; V396-K418 HydrophobicContact CG1-CG 4.39Å; G414-K418 PolarHBondContact O-N 3.29Å; G414-K418 VanDerWaalsContact O-N 3.09Å; M415-K418 PolarHBondContact O-N 2.8Å; M415-K418 VanDerWaalsContact O-N 3.15Å; I416-K418 PolarHBondContact O-N 3.42Å; K418-Y420 VanDerWaalsContact C-N 3.31Å; K418-Y420 PolarHBondContact O-N 2.96Å; K418-A421 PolarHBondContact O-N 2.8Å; K418-I422 WeakPolarHBondContact O-CG1 3.33Å; K418-I422 PolarHBondContact O-N 2.84Å |
| 419 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | G393 V396 M397 M415 I416 A421 I422 L423 L437 | G393-A419 WeakPolarHBondContact O-CB 3.38Å; V396-A419 HydrophobicContact CB-CB 4.2Å; V396-A419 HydrophobicContact CG1-CB 4.01Å; M397-A419 HydrophobicContact CB-CB 3.77Å; M415-A419 WeakPolarHBondContact O-CB 3.37Å; M415-A419 PolarHBondContact O-N 3.43Å; I416-A419 PolarHBondContact O-N 2.79Å; A419-A421 VanDerWaalsContact C-N 3.32Å; A419-A421 PolarHBondContact O-N 3Å; A419-I422 PolarHBondContact O-N 3.49Å; A419-I422 VanDerWaalsContact O-N 3.16Å; A419-L423 WeakPolarHBondContact O-CB 3.25Å; A419-L423 VanDerWaalsContact O-CD1 3.25Å; A419-L423 WeakPolarHBondContact O-CD1 3.48Å; A419-L423 PolarHBondContact O-N 3.13Å; A419-L437 HydrophobicContact CB-CD2 3.85Å |
| 420 | Y | 98.6 | Very high | 97.6 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 178.5 | -176.3 | -109.1 | 0 | 0 | 0 | 111.8 | I416 C417 K418 I422 L423 L424 T434 L437 E438 | I416-Y420 WeakPolarHBondContact O-CB 3.19Å; I416-Y420 PolarHBondContact O-N 3.43Å; C417-Y420 PolarHBondContact O-N 2.92Å; K418-Y420 VanDerWaalsContact C-N 3.31Å; K418-Y420 PolarHBondContact O-N 2.96Å; Y420-I422 PolarHBondContact O-N 2.98Å; Y420-L423 PolarHBondContact O-N 3.17Å; Y420-L424 HydrophobicContact CD1-CD1 4Å; Y420-L424 HydrophobicContact CD1-CG 4.45Å; Y420-L424 HydrophobicContact CE1-CD1 3.56Å; Y420-L424 HydrophobicContact CE1-CG 4.1Å; Y420-L424 HydrophobicContact CE2-CD2 4.49Å; Y420-L424 HydrophobicContact CE2-CG 4.38Å; Y420-L424 WeakPolarHBondContact O-CG 3.33Å; Y420-L424 PolarHBondContact O-N 2.65Å; Y420-T434 HydrophobicContact CD2-CG2 4.2Å; Y420-T434 HydrophobicContact CE2-CG2 3.77Å; Y420-L437 HydrophobicContact CD2-CB 4.48Å; Y420-L437 HydrophobicContact CD2-CD2 4.46Å; Y420-L437 HydrophobicContact CD2-CG 4.26Å; Y420-E438 HydrophobicContact CD2-CB 4.4Å; Y420-E438 HydrophobicContact CE2-CB 3.66Å; Y420-E438 HydrophobicContact CE2-CG 4.16Å; Y420-E438 PolarHBondContact OH-OE1 3.39Å |
| 421 | A | 98.6 | Very high | 97.3 | Very high | 56 Ų | 56 | 26.7 Ų | 26.7 | 46% | 0.463 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C417 K418 A419 | C417-A421 PolarHBondContact O-N 3.17Å; K418-A421 PolarHBondContact O-N 2.8Å; A419-A421 VanDerWaalsContact C-N 3.32Å; A419-A421 PolarHBondContact O-N 3Å |
| 422 | I | 98.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 177.6 | -62.7 | 170.4 | 0 | 0 | 0 | 111.3 | P387 N389 L392 K418 A419 Y420 V425 T426 | P387-I422 WeakPolarHBondContact O-CD1 3.4Å; P387-I422 WeakPolarHBondContact O-CG1 3.3Å; N389-I422 WeakPolarHBondContact O-CG2 3.29Å; L392-I422 HydrophobicContact CD2-CD1 4.11Å; L392-I422 HydrophobicContact CG-CD1 4.09Å; K418-I422 WeakPolarHBondContact O-CG1 3.33Å; K418-I422 PolarHBondContact O-N 2.84Å; A419-I422 PolarHBondContact O-N 3.49Å; A419-I422 VanDerWaalsContact O-N 3.16Å; Y420-I422 PolarHBondContact O-N 2.98Å; I422-V425 PolarHBondContact O-N 3.49Å; I422-T426 HydrophobicContact CG2-CG2 4.24Å; I422-T426 WeakPolarHBondContact O-CG2 3.4Å; I422-T426 PolarHBondContact O-N 3.46Å; I422-T426 PolarHBondContact O-OG1 3.06Å |
| 423 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.5 | -27.9 | -178.6 | -90.6 | 68.3 | 0 | 0 | 0 | 112.5 | G393 M394 M397 A419 Y420 V425 T426 H427 G428 I433 L437 | G393-L423 VanDerWaalsContact C-CD1 3.49Å; M394-L423 HydrophobicContact SD-CD2 4.05Å; M397-L423 HydrophobicContact SD-CD2 4.4Å; A419-L423 WeakPolarHBondContact O-CB 3.25Å; A419-L423 VanDerWaalsContact O-CD1 3.25Å; A419-L423 WeakPolarHBondContact O-CD1 3.48Å; A419-L423 PolarHBondContact O-N 3.13Å; Y420-L423 PolarHBondContact O-N 3.17Å; L423-V425 VanDerWaalsContact C-N 3.26Å; L423-V425 PolarHBondContact O-N 2.79Å; L423-T426 WeakPolarHBondContact CA-OG1 3.3Å; L423-H427 WeakPolarHBondContact O-CA 3.2Å; L423-H427 VanDerWaalsContact O-CB 3.31Å; L423-H427 WeakPolarHBondContact O-CB 3.48Å; L423-H427 PolarHBondContact O-N 3.44Å; L423-G428 PolarHBondContact O-N 3.43Å; L423-I433 HydrophobicContact CD2-CB 4.45Å; L423-I433 HydrophobicContact CD2-CG2 3.57Å; L423-L437 HydrophobicContact CD2-CD2 3.88Å |
| 424 | L | 98.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 24.2 Ų | 24.2 | 29% | 0.293 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.8 | -36.8 | 168.9 | -81.2 | 175.4 | 0 | 0 | 0 | 112.3 | Y420 G428 P429 T434 | Y420-L424 HydrophobicContact CD1-CD1 4Å; Y420-L424 HydrophobicContact CD1-CG 4.45Å; Y420-L424 HydrophobicContact CE1-CD1 3.56Å; Y420-L424 HydrophobicContact CE1-CG 4.1Å; Y420-L424 HydrophobicContact CE2-CD2 4.49Å; Y420-L424 HydrophobicContact CE2-CG 4.38Å; Y420-L424 WeakPolarHBondContact O-CG 3.33Å; Y420-L424 PolarHBondContact O-N 2.65Å; L424-G428 VanDerWaalsContact O-CA 3.31Å; L424-G428 WeakPolarHBondContact O-CA 3.38Å; L424-G428 PolarHBondContact O-N 3.48Å; L424-P429 HydrophobicContact CD2-CB 3.97Å; L424-T434 HydrophobicContact CD2-CG2 4.07Å; L424-T434 HydrophobicContact CG-CG2 4.47Å |
| 425 | V | 98.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 11% | 0.109 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.6 | -53.7 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | A29 A30 L239 N388 I422 L423 | A29-V425 HydrophobicContact CB-CG1 4.35Å; A30-V425 HydrophobicContact CB-CB 4.35Å; A30-V425 HydrophobicContact CB-CG1 4.5Å; A30-V425 HydrophobicContact CB-CG2 4.25Å; L239-V425 HydrophobicContact CD2-CG1 4.37Å; N388-V425 HydrophobicContact CB-CB 4.46Å; N388-V425 HydrophobicContact CB-CG1 3.95Å; I422-V425 PolarHBondContact O-N 3.49Å; L423-V425 VanDerWaalsContact C-N 3.26Å; L423-V425 PolarHBondContact O-N 2.79Å |
| 426 | T | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.6 | -33.8 | -166.9 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | T213 I215 R237 L239 N388 A390 I422 L423 | T213-T426 HydrophobicContact CG2-CG2 4.15Å; I215-T426 WeakPolarHBondContact CG2-O 3.44Å; R237-T426 WeakPolarHBondContact CD-O 3.36Å; L239-T426 HydrophobicContact CD2-CG2 4Å; N388-T426 WeakPolarHBondContact O-CG2 3.39Å; A390-T426 HydrophobicContact CB-CG2 4.12Å; I422-T426 HydrophobicContact CG2-CG2 4.24Å; I422-T426 WeakPolarHBondContact O-CG2 3.4Å; I422-T426 PolarHBondContact O-N 3.46Å; I422-T426 PolarHBondContact O-OG1 3.06Å; L423-T426 WeakPolarHBondContact CA-OG1 3.3Å |
| 427 | H | 96.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -31.5 | -175.9 | -64.2 | 65.2 | 0 | 0 | 0 | 112 | I215 R237 L423 H431 T434 | I215-H427 WeakPolarHBondContact CD1-CD2 3.42Å; I215-H427 WeakPolarHBondContact CD1-NE2 3.48Å; I215-H427 HydrophobicContact CG1-CB 4.29Å; R237-H427 PolarHBondContact NE-O 3.45Å; L423-H427 WeakPolarHBondContact O-CA 3.2Å; L423-H427 VanDerWaalsContact O-CB 3.31Å; L423-H427 WeakPolarHBondContact O-CB 3.48Å; L423-H427 PolarHBondContact O-N 3.44Å; H427-H431 HydrophobicContact CB-CB 3.73Å; H427-H431 AromaticContact CD2-CE1 3.63Å; H427-H431 AromaticContact CD2-CG 3.92Å; H427-H431 AromaticContact CD2-ND1 3.6Å; H427-H431 AromaticContact CD2-NE2 3.94Å; H427-H431 WeakPolarHBondContact O-CB 3.46Å; H427-T434 WeakPolarHBondContact CB-OG1 3.32Å |
| 428 | G | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | 81.4 | 164.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L423 L424 S430 H431 T434 | L423-G428 PolarHBondContact O-N 3.43Å; L424-G428 VanDerWaalsContact O-CA 3.31Å; L424-G428 WeakPolarHBondContact O-CA 3.38Å; L424-G428 PolarHBondContact O-N 3.48Å; G428-S430 VanDerWaalsContact C-N 3.28Å; G428-S430 PolarHBondContact O-N 3.49Å; G428-H431 WeakPolarHBondContact O-CB 3.38Å; G428-H431 PolarHBondContact O-N 2.92Å; G428-T434 WeakPolarHBondContact O-CB 3.43Å; G428-T434 WeakPolarHBondContact O-CG2 3.39Å; G428-T434 PolarHBondContact O-OG1 3.23Å | ||
| 429 | P | 93.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 30.5 Ų | 30.5 | 51% | 0.513 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24.3 | -172.1 | 27.7 | -35.9 | 0 | 0 | 0 | 113.4 | L424 H431 | L424-P429 HydrophobicContact CD2-CB 3.97Å; P429-H431 VanDerWaalsContact C-N 3.33Å |
| 430 | S | 89.4 | Confident | 95.6 | Very high | 16 Ų | 16 | 32.2 Ų | 32.2 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9.7 | -179.6 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | H229 G428 | H229-S430 PolarHBondContact ND1-OG 3.18Å; H229-S430 VanDerWaalsContact ND1-OG 3.15Å; G428-S430 VanDerWaalsContact C-N 3.28Å; G428-S430 PolarHBondContact O-N 3.49Å |
| 431 | H | 92.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -71.9 | 139.2 | -176 | -166.3 | -84 | 0 | 0 | 0 | 111.2 | F216 H427 G428 P429 I433 T434 K435 | F216-H431 PolarHBondContact O-NE2 2.95Å; F216-H431 VanDerWaalsContact O-NE2 3.09Å; H427-H431 HydrophobicContact CB-CB 3.73Å; H427-H431 AromaticContact CD2-CE1 3.63Å; H427-H431 AromaticContact CD2-CG 3.92Å; H427-H431 AromaticContact CD2-ND1 3.6Å; H427-H431 AromaticContact CD2-NE2 3.94Å; H427-H431 WeakPolarHBondContact O-CB 3.46Å; G428-H431 WeakPolarHBondContact O-CB 3.38Å; G428-H431 PolarHBondContact O-N 2.92Å; P429-H431 VanDerWaalsContact C-N 3.33Å; H431-I433 VanDerWaalsContact C-N 3.35Å; H431-I433 PolarHBondContact ND1-N 3.13Å; H431-I433 PolarHBondContact O-N 2.85Å; H431-T434 PolarHBondContact O-N 3.41Å; H431-T434 VanDerWaalsContact O-N 3.08Å; H431-K435 PolarHBondContact O-N 3.27Å |
| 432 | P | 89.3 | Confident | 95.5 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 17% | 0.169 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -50.6 | -49.6 | 179.8 | -29.6 | 35.7 | 0 | 0 | 0 | 113.7 | T434 K435 D436 | P432-T434 VanDerWaalsContact C-N 3.33Å; P432-T434 PolarHBondContact O-N 3.08Å; P432-K435 PolarHBondContact O-N 2.72Å; P432-K435 VanDerWaalsContact O-N 3.15Å; P432-D436 PolarHBondContact O-N 3.03Å |
| 433 | I | 93 | Very high | 95.4 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -42.6 | 178.5 | -54.5 | 171.8 | 0 | 0 | 0 | 111.9 | Q187 M394 M397 L423 H431 K435 D436 L437 | Q187-I433 WeakPolarHBondContact O-CG1 3.42Å; M394-I433 HydrophobicContact CE-CD1 4.02Å; M394-I433 HydrophobicContact CE-CG2 4.21Å; M394-I433 HydrophobicContact SD-CD1 4.29Å; M394-I433 HydrophobicContact SD-CG2 3.91Å; M397-I433 HydrophobicContact CE-CG2 4.05Å; M397-I433 HydrophobicContact SD-CG2 4.01Å; L423-I433 HydrophobicContact CD2-CB 4.45Å; L423-I433 HydrophobicContact CD2-CG2 3.57Å; H431-I433 VanDerWaalsContact C-N 3.35Å; H431-I433 PolarHBondContact ND1-N 3.13Å; H431-I433 PolarHBondContact O-N 2.85Å; I433-K435 VanDerWaalsContact C-N 3.34Å; I433-K435 PolarHBondContact O-N 3.29Å; I433-D436 PolarHBondContact O-N 3.3Å; I433-L437 VanDerWaalsContact O-CB 3.31Å; I433-L437 WeakPolarHBondContact O-CB 3.4Å; I433-L437 PolarHBondContact O-N 3.37Å |
| 434 | T | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 179.4 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | Y420 L424 H427 G428 H431 P432 L437 E438 | Y420-T434 HydrophobicContact CD2-CG2 4.2Å; Y420-T434 HydrophobicContact CE2-CG2 3.77Å; L424-T434 HydrophobicContact CD2-CG2 4.07Å; L424-T434 HydrophobicContact CG-CG2 4.47Å; H427-T434 WeakPolarHBondContact CB-OG1 3.32Å; G428-T434 WeakPolarHBondContact O-CB 3.43Å; G428-T434 WeakPolarHBondContact O-CG2 3.39Å; G428-T434 PolarHBondContact O-OG1 3.23Å; H431-T434 PolarHBondContact O-N 3.41Å; H431-T434 VanDerWaalsContact O-N 3.08Å; P432-T434 VanDerWaalsContact C-N 3.33Å; P432-T434 PolarHBondContact O-N 3.08Å; T434-L437 PolarHBondContact O-N 3.29Å; T434-E438 WeakPolarHBondContact O-CB 3.43Å; T434-E438 PolarHBondContact O-N 2.85Å |
| 435 | K | 92.6 | Very high | 95.3 | Very high | 114 Ų | 114 | 37.9 Ų | 37.9 | 50% | 0.496 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.3 | -44.9 | 176.4 | -69.2 | -173.9 | 175.8 | -169.7 | 0 | 112.2 | H431 P432 I433 L437 E438 A439 | H431-K435 PolarHBondContact O-N 3.27Å; P432-K435 PolarHBondContact O-N 2.72Å; P432-K435 VanDerWaalsContact O-N 3.15Å; I433-K435 VanDerWaalsContact C-N 3.34Å; I433-K435 PolarHBondContact O-N 3.29Å; K435-L437 VanDerWaalsContact C-N 3.26Å; K435-L437 PolarHBondContact O-N 2.91Å; K435-E438 WeakPolarHBondContact O-CB 3.46Å; K435-E438 PolarHBondContact O-N 3.03Å; K435-A439 PolarHBondContact O-N 3.12Å; K435-A439 VanDerWaalsContact O-N 3.08Å |
| 436 | D | 92.9 | Very high | 95.1 | Very high | 89 Ų | 89 | 42.9 Ų | 42.9 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.8 | -68.5 | -13.9 | 0 | 0 | 0 | 110.1 | P432 I433 A439 M440 | P432-D436 PolarHBondContact O-N 3.03Å; I433-D436 PolarHBondContact O-N 3.3Å; D436-A439 PolarHBondContact O-N 2.82Å; D436-M440 HydrophobicContact CB-CE 4.28Å; D436-M440 WeakPolarHBondContact O-CE 3.43Å; D436-M440 WeakPolarHBondContact O-CG 3.26Å; D436-M440 PolarHBondContact O-N 2.96Å |
| 437 | L | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 177.1 | -172.9 | 56.4 | 0 | 0 | 0 | 113.3 | M397 I416 A419 Y420 L423 I433 T434 K435 A439 M440 R441 | M397-L437 HydrophobicContact CG-CD1 3.78Å; M397-L437 HydrophobicContact CG-CD2 4.26Å; M397-L437 HydrophobicContact SD-CB 4.35Å; M397-L437 HydrophobicContact SD-CD1 4.05Å; M397-L437 HydrophobicContact SD-CD2 4.06Å; M397-L437 HydrophobicContact SD-CG 4.4Å; I416-L437 HydrophobicContact CB-CD1 4.48Å; I416-L437 HydrophobicContact CG1-CD1 4.43Å; I416-L437 HydrophobicContact CG2-CD1 3.81Å; A419-L437 HydrophobicContact CB-CD2 3.85Å; Y420-L437 HydrophobicContact CD2-CB 4.48Å; Y420-L437 HydrophobicContact CD2-CD2 4.46Å; Y420-L437 HydrophobicContact CD2-CG 4.26Å; L423-L437 HydrophobicContact CD2-CD2 3.88Å; I433-L437 VanDerWaalsContact O-CB 3.31Å; I433-L437 WeakPolarHBondContact O-CB 3.4Å; I433-L437 PolarHBondContact O-N 3.37Å; T434-L437 PolarHBondContact O-N 3.29Å; K435-L437 VanDerWaalsContact C-N 3.26Å; K435-L437 PolarHBondContact O-N 2.91Å; L437-A439 VanDerWaalsContact C-N 3.35Å; L437-M440 HydrophobicContact CB-CE 4.43Å; L437-M440 HydrophobicContact CD1-CE 4.2Å; L437-M440 PolarHBondContact O-N 3.09Å; L437-R441 WeakPolarHBondContact O-CB 3.29Å; L437-R441 PolarHBondContact O-N 3.18Å |
| 438 | E | 97.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 45.6 Ų | 45.6 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61 | -44.8 | 172.7 | -173.5 | 168.8 | -149.7 | 0 | 0 | 111.5 | Y420 T434 K435 M440 R441 V442 | Y420-E438 HydrophobicContact CD2-CB 4.4Å; Y420-E438 HydrophobicContact CE2-CB 3.66Å; Y420-E438 HydrophobicContact CE2-CG 4.16Å; Y420-E438 PolarHBondContact OH-OE1 3.39Å; T434-E438 WeakPolarHBondContact O-CB 3.43Å; T434-E438 PolarHBondContact O-N 2.85Å; K435-E438 WeakPolarHBondContact O-CB 3.46Å; K435-E438 PolarHBondContact O-N 3.03Å; E438-M440 VanDerWaalsContact C-N 3.35Å; E438-M440 PolarHBondContact O-N 2.75Å; E438-R441 WeakPolarHBondContact O-CB 3.37Å; E438-R441 PolarHBondContact O-N 3.09Å; E438-V442 WeakPolarHBondContact O-CG2 3.5Å; E438-V442 PolarHBondContact O-N 2.87Å |
| 439 | A | 96 | Very high | 94.8 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K435 D436 L437 R441 V442 Q443 | K435-A439 PolarHBondContact O-N 3.12Å; K435-A439 VanDerWaalsContact O-N 3.08Å; D436-A439 PolarHBondContact O-N 2.82Å; L437-A439 VanDerWaalsContact C-N 3.35Å; A439-R441 VanDerWaalsContact C-N 3.34Å; A439-R441 PolarHBondContact O-N 3.22Å; A439-V442 PolarHBondContact O-N 3.03Å; A439-Q443 WeakPolarHBondContact O-CG 3.46Å; A439-Q443 PolarHBondContact O-N 3.38Å |
| 440 | M | 97.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 18% | 0.177 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 175.1 | -69.8 | -174.9 | -83.1 | 0 | 0 | 112.5 | L401 W404 D436 L437 E438 Q443 T444 | L401-M440 HydrophobicContact CD1-CE 4.29Å; L401-M440 HydrophobicContact CD1-SD 3.81Å; L401-M440 HydrophobicContact CD2-CE 4.46Å; L401-M440 HydrophobicContact CD2-SD 3.71Å; L401-M440 HydrophobicContact CG-SD 3.92Å; W404-M440 HydrophobicContact CZ3-CB 4.46Å; W404-M440 HydrophobicContact CZ3-CG 4.33Å; D436-M440 HydrophobicContact CB-CE 4.28Å; D436-M440 WeakPolarHBondContact O-CE 3.43Å; D436-M440 WeakPolarHBondContact O-CG 3.26Å; D436-M440 PolarHBondContact O-N 2.96Å; L437-M440 HydrophobicContact CB-CE 4.43Å; L437-M440 HydrophobicContact CD1-CE 4.2Å; L437-M440 PolarHBondContact O-N 3.09Å; E438-M440 VanDerWaalsContact C-N 3.35Å; E438-M440 PolarHBondContact O-N 2.75Å; M440-Q443 PolarHBondContact O-N 2.99Å; M440-T444 WeakPolarHBondContact O-CG2 3.24Å; M440-T444 PolarHBondContact O-N 3.32Å; M440-T444 PolarHBondContact O-OG1 3.24Å |
| 441 | R | 98.2 | Very high | 94.9 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.4 | -168.2 | -166.9 | 65.8 | 67.1 | 2.8 | 111.4 | I416 L437 E438 A439 T444 E445 | I416-R441 HydrophobicContact CG2-CB 3.77Å; I416-R441 HydrophobicContact CG2-CG 4.12Å; L437-R441 WeakPolarHBondContact O-CB 3.29Å; L437-R441 PolarHBondContact O-N 3.18Å; E438-R441 WeakPolarHBondContact O-CB 3.37Å; E438-R441 PolarHBondContact O-N 3.09Å; A439-R441 VanDerWaalsContact C-N 3.34Å; A439-R441 PolarHBondContact O-N 3.22Å; R441-T444 PolarHBondContact O-OG1 3.24Å; R441-T444 VanDerWaalsContact O-OG1 3.09Å; R441-E445 IonicContact NH1-OE2 3.52Å; R441-E445 PolarHBondContact NH1-OE2 3.46Å; R441-E445 VanDerWaalsContact O-CB 3.3Å; R441-E445 WeakPolarHBondContact O-CB 3.14Å; R441-E445 PolarHBondContact O-N 3.44Å |
| 442 | V | 97.5 | Very high | 94.9 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 38% | 0.382 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 177.3 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | E438 A439 E445 M446 | E438-V442 WeakPolarHBondContact O-CG2 3.5Å; E438-V442 PolarHBondContact O-N 2.87Å; A439-V442 PolarHBondContact O-N 3.03Å; V442-E445 PolarHBondContact O-N 2.75Å; V442-M446 WeakPolarHBondContact O-CG 3.31Å; V442-M446 PolarHBondContact O-N 3.1Å; V442-M446 VanDerWaalsContact O-N 3.14Å |
| 443 | Q | 96.4 | Very high | 95.1 | Very high | 99 Ų | 99 | 67.2 Ų | 67.2 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 177.9 | -71.4 | 170 | 15.1 | 0 | 0 | 111.8 | W404 A439 M440 E445 M446 E447 | W404-Q443 HydrophobicContact CH2-CB 4.17Å; W404-Q443 HydrophobicContact CZ2-CB 4.37Å; A439-Q443 WeakPolarHBondContact O-CG 3.46Å; A439-Q443 PolarHBondContact O-N 3.38Å; M440-Q443 PolarHBondContact O-N 2.99Å; Q443-E445 VanDerWaalsContact C-N 3.28Å; Q443-E445 PolarHBondContact O-N 3.49Å; Q443-M446 PolarHBondContact O-N 3.08Å; Q443-M446 VanDerWaalsContact O-N 3.15Å; Q443-E447 PolarHBondContact O-N 3.39Å |
| 444 | T | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -29.9 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | W404 I409 H413 I416 M440 R441 L448 | W404-T444 HydrophobicContact CB-CG2 4.45Å; W404-T444 HydrophobicContact CD2-CG2 3.38Å; W404-T444 HydrophobicContact CE3-CG2 3.73Å; W404-T444 HydrophobicContact CG-CG2 3.72Å; W404-T444 HydrophobicContact CH2-CG2 4.25Å; W404-T444 HydrophobicContact CZ2-CG2 3.96Å; W404-T444 HydrophobicContact CZ3-CG2 4.14Å; I409-T444 HydrophobicContact CD1-CG2 4.25Å; H413-T444 PolarHBondContact ND1-OG1 3.34Å; I416-T444 HydrophobicContact CD1-CG2 3.7Å; M440-T444 WeakPolarHBondContact O-CG2 3.24Å; M440-T444 PolarHBondContact O-N 3.32Å; M440-T444 PolarHBondContact O-OG1 3.24Å; R441-T444 PolarHBondContact O-OG1 3.24Å; R441-T444 VanDerWaalsContact O-OG1 3.09Å; T444-L448 VanDerWaalsContact O-CB 3.22Å; T444-L448 WeakPolarHBondContact O-CB 3.3Å; T444-L448 PolarHBondContact O-N 3.1Å |
| 445 | E | 97.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 74.2 Ų | 74.2 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 172.8 | -173 | 175.3 | 173.3 | 0 | 0 | 111.8 | R441 V442 Q443 R449 | R441-E445 IonicContact NH1-OE2 3.52Å; R441-E445 PolarHBondContact NH1-OE2 3.46Å; R441-E445 VanDerWaalsContact O-CB 3.3Å; R441-E445 WeakPolarHBondContact O-CB 3.14Å; R441-E445 PolarHBondContact O-N 3.44Å; V442-E445 PolarHBondContact O-N 2.75Å; Q443-E445 VanDerWaalsContact C-N 3.28Å; Q443-E445 PolarHBondContact O-N 3.49Å; E445-R449 WeakPolarHBondContact O-CG 3.36Å; E445-R449 PolarHBondContact O-N 2.96Å; E445-R449 VanDerWaalsContact O-N 3.16Å; E445-R449 IonicContact OE1-CZ 3.58Å; E445-R449 IonicContact OE1-NE 3.82Å; E445-R449 IonicContact OE1-NH2 3.45Å; E445-R449 PolarHBondContact OE1-NH2 2.8Å |
| 446 | M | 94.4 | Very high | 94.4 | Very high | 124 Ų | 124 | 71.8 Ų | 71.8 | 61% | 0.611 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.5 | -46.5 | 175.7 | -66.6 | 178.8 | 114.9 | 0 | 0 | 111.5 | V442 Q443 L448 R449 M450 | V442-M446 WeakPolarHBondContact O-CG 3.31Å; V442-M446 PolarHBondContact O-N 3.1Å; V442-M446 VanDerWaalsContact O-N 3.14Å; Q443-M446 PolarHBondContact O-N 3.08Å; Q443-M446 VanDerWaalsContact O-N 3.15Å; M446-L448 PolarHBondContact O-N 3.29Å; M446-R449 WeakPolarHBondContact O-CB 3.38Å; M446-R449 PolarHBondContact O-N 2.91Å; M446-M450 WeakPolarHBondContact O-CG 3.36Å; M446-M450 PolarHBondContact O-N 3.25Å; M446-M450 VanDerWaalsContact O-N 3.14Å |
| 447 | E | 94.6 | Very high | 94 | Very high | 53 Ų | 53 | 69.1 Ų | 69.1 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.9 | -77 | -173.9 | -148.1 | 0 | 0 | 112.4 | W404 I409 Q443 R449 M450 F451 Y458 R462 | W404-E447 WeakPolarHBondContact CZ2-OE1 3.31Å; W404-E447 VanDerWaalsContact NE1-CD 3.35Å; W404-E447 PolarHBondContact NE1-OE1 3.36Å; W404-E447 PolarHBondContact NE1-OE2 3.3Å; I409-E447 HydrophobicContact CD1-CB 3.77Å; I409-E447 HydrophobicContact CG1-CB 4.15Å; Q443-E447 PolarHBondContact O-N 3.39Å; E447-R449 VanDerWaalsContact C-N 3.29Å; E447-R449 PolarHBondContact O-N 3.34Å; E447-M450 WeakPolarHBondContact O-CB 3.2Å; E447-M450 PolarHBondContact O-N 3.03Å; E447-M450 VanDerWaalsContact O-N 3.14Å; E447-F451 PolarHBondContact O-N 2.91Å; E447-Y458 HydrophobicContact CB-CE2 4.23Å; E447-R462 IonicContact OE2-NH1 3.09Å |
| 448 | L | 95.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 176.8 | 178.9 | 59.5 | 0 | 0 | 0 | 111.9 | I409 E410 H413 T444 M446 F451 R452 | I409-L448 HydrophobicContact CG1-CB 4.12Å; I409-L448 HydrophobicContact CG1-CD1 4.49Å; I409-L448 HydrophobicContact CG2-CD1 4.39Å; E410-L448 HydrophobicContact CB-CD1 4.39Å; E410-L448 HydrophobicContact CG-CD1 3.71Å; H413-L448 HydrophobicContact CB-CD2 4.23Å; H413-L448 WeakPolarHBondContact CD2-CD2 3.35Å; T444-L448 VanDerWaalsContact O-CB 3.22Å; T444-L448 WeakPolarHBondContact O-CB 3.3Å; T444-L448 PolarHBondContact O-N 3.1Å; M446-L448 PolarHBondContact O-N 3.29Å; L448-F451 HydrophobicContact CD1-CD1 4.31Å; L448-F451 PolarHBondContact O-N 3.4Å; L448-R452 HydrophobicContact CD1-CG 4.32Å; L448-R452 WeakPolarHBondContact O-CB 3.47Å; L448-R452 WeakPolarHBondContact O-CG 3.37Å; L448-R452 PolarHBondContact O-N 3.49Å |
| 449 | R | 94.3 | Very high | 93.1 | Very high | 147 Ų | 147 | 70.8 Ų | 70.8 | 56% | 0.555 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 174.6 | -70.8 | 172.9 | -169.6 | -169.9 | 4.7 | 111.4 | E445 M446 E447 R452 Q453 | E445-R449 WeakPolarHBondContact O-CG 3.36Å; E445-R449 PolarHBondContact O-N 2.96Å; E445-R449 VanDerWaalsContact O-N 3.16Å; E445-R449 IonicContact OE1-CZ 3.58Å; E445-R449 IonicContact OE1-NE 3.82Å; E445-R449 IonicContact OE1-NH2 3.45Å; E445-R449 PolarHBondContact OE1-NH2 2.8Å; M446-R449 WeakPolarHBondContact O-CB 3.38Å; M446-R449 PolarHBondContact O-N 2.91Å; E447-R449 VanDerWaalsContact C-N 3.29Å; E447-R449 PolarHBondContact O-N 3.34Å; R449-R452 PolarHBondContact O-N 2.95Å; R449-Q453 VanDerWaalsContact O-CG 3.3Å; R449-Q453 WeakPolarHBondContact O-CG 3.42Å; R449-Q453 PolarHBondContact O-N 3.41Å; R449-Q453 VanDerWaalsContact O-N 3.12Å |
| 450 | M | 91.8 | Very high | 92.7 | Very high | 70 Ų | 70 | 73.3 Ų | 73.3 | 35% | 0.345 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 176.4 | -67 | 171.8 | 61 | 0 | 0 | 111.5 | M446 E447 R452 Q453 N454 M461 | M446-M450 WeakPolarHBondContact O-CG 3.36Å; M446-M450 PolarHBondContact O-N 3.25Å; M446-M450 VanDerWaalsContact O-N 3.14Å; E447-M450 WeakPolarHBondContact O-CB 3.2Å; E447-M450 PolarHBondContact O-N 3.03Å; E447-M450 VanDerWaalsContact O-N 3.14Å; M450-R452 VanDerWaalsContact C-N 3.32Å; M450-R452 PolarHBondContact O-N 2.81Å; M450-Q453 PolarHBondContact O-N 3.3Å; M450-Q453 VanDerWaalsContact O-N 3.11Å; M450-N454 PolarHBondContact O-N 3.16Å; M450-M461 HydrophobicContact CE-CE 3.35Å; M450-M461 HydrophobicContact CE-SD 3.49Å; M450-M461 WeakPolarHBondContact CE-SD 3.39Å |
| 451 | F | 93.1 | Very high | 92 | Very high | 24 Ų | 24 | 74.8 Ų | 74.8 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.1 | -46.1 | 175.3 | 174.5 | -100.8 | 0 | 0 | 0 | 112 | I409 E410 E447 L448 Q453 N454 E455 Y458 Y459 | I409-F451 HydrophobicContact CG2-CB 3.88Å; I409-F451 HydrophobicContact CG2-CD1 3.81Å; I409-F451 HydrophobicContact CG2-CD2 3.91Å; I409-F451 HydrophobicContact CG2-CE1 4.33Å; I409-F451 HydrophobicContact CG2-CE2 4.39Å; I409-F451 HydrophobicContact CG2-CG 3.59Å; E410-F451 HydrophobicContact CG-CD1 4.14Å; E410-F451 HydrophobicContact CG-CE1 3.79Å; E447-F451 PolarHBondContact O-N 2.91Å; L448-F451 HydrophobicContact CD1-CD1 4.31Å; L448-F451 PolarHBondContact O-N 3.4Å; F451-Q453 VanDerWaalsContact C-N 3.29Å; F451-Q453 PolarHBondContact O-N 3Å; F451-N454 CarbonylContact O-C 3.58Å; F451-E455 HydrophobicContact CD2-CB 4.43Å; F451-E455 HydrophobicContact CD2-CG 4.12Å; F451-E455 HydrophobicContact CE2-CB 4.25Å; F451-E455 HydrophobicContact CE2-CG 3.57Å; F451-E455 HydrophobicContact CZ-CG 4.18Å; F451-E455 WeakPolarHBondContact O-CA 3.13Å; F451-E455 PolarHBondContact O-N 3.13Å; F451-Y458 HydrophobicContact CB-CD1 4.26Å; F451-Y458 HydrophobicContact CB-CD2 4.2Å; F451-Y458 HydrophobicContact CB-CG 3.99Å; F451-Y458 AromaticContact CD2-CD1 3.52Å; F451-Y458 HydrophobicContact CD2-CD1 3.52Å; F451-Y458 AromaticContact CD2-CE1 3.92Å; F451-Y458 HydrophobicContact CD2-CE1 3.92Å; F451-Y458 HydrophobicContact CD2-CG 4.05Å; F451-Y458 HydrophobicContact CE2-CD1 4.38Å; F451-Y458 HydrophobicContact CG-CD1 4.36Å; F451-Y459 HydrophobicContact CD2-CE2 4.5Å; F451-Y459 AromaticContact CE2-CE2 3.87Å; F451-Y459 HydrophobicContact CE2-CE2 3.87Å |
| 452 | R | 92.3 | Very high | 91.4 | Very high | 173 Ų | 173 | 74 Ų | 74 | 65% | 0.653 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.2 | -22.9 | 178.5 | -73.7 | 178.8 | 175.2 | 175.2 | 0 | 114.5 | E410 L448 R449 M450 | E410-R452 IonicContact OE1-NE 3.87Å; E410-R452 IonicContact OE1-NH2 2.84Å; L448-R452 HydrophobicContact CD1-CG 4.32Å; L448-R452 WeakPolarHBondContact O-CB 3.47Å; L448-R452 WeakPolarHBondContact O-CG 3.37Å; L448-R452 PolarHBondContact O-N 3.49Å; R449-R452 PolarHBondContact O-N 2.95Å; M450-R452 VanDerWaalsContact C-N 3.32Å; M450-R452 PolarHBondContact O-N 2.81Å |
| 453 | Q | 92.8 | Very high | 90.8 | Very high | 164 Ų | 164 | 75.7 Ų | 75.7 | 77% | 0.766 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -82.1 | -42.7 | 177.2 | -77.2 | 174.3 | -5.8 | 0 | 0 | 111.9 | R449 M450 F451 | R449-Q453 VanDerWaalsContact O-CG 3.3Å; R449-Q453 WeakPolarHBondContact O-CG 3.42Å; R449-Q453 PolarHBondContact O-N 3.41Å; R449-Q453 VanDerWaalsContact O-N 3.12Å; M450-Q453 PolarHBondContact O-N 3.3Å; M450-Q453 VanDerWaalsContact O-N 3.11Å; F451-Q453 VanDerWaalsContact C-N 3.29Å; F451-Q453 PolarHBondContact O-N 3Å |
| 454 | N | 90.1 | Very high | 90.2 | Very high | 48 Ų | 48 | 71.7 Ų | 71.7 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | trans | -157.8 | 100.2 | 178.9 | -170.8 | -52 | 0 | 0 | 0 | 109.7 | M450 F451 F456 M457 Y458 E476 | M450-N454 PolarHBondContact O-N 3.16Å; F451-N454 CarbonylContact O-C 3.58Å; N454-F456 PolarHBondContact OD1-N 3.28Å; N454-M457 HydrophobicContact CB-CB 4.03Å; N454-M457 HydrophobicContact CB-CG 4.3Å; N454-M457 PolarHBondContact O-N 2.9Å; N454-M457 VanDerWaalsContact OD1-CB 3.29Å; N454-M457 WeakPolarHBondContact OD1-CB 3.46Å; N454-M457 VanDerWaalsContact OD1-CG 3.3Å; N454-M457 WeakPolarHBondContact OD1-CG 3.33Å; N454-M457 PolarHBondContact OD1-N 3.02Å; N454-Y458 PolarHBondContact O-N 3.46Å; N454-E476 PolarHBondContact OD1-OE1 2.86Å | ||
| 455 | E | 89.9 | Confident | 89.4 | Confident | 106 Ų | 106 | 75 Ų | 75 | 50% | 0.495 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | -176.5 | 174.7 | 170 | -168.8 | 0 | 0 | 111.9 | F451 M457 Y458 Y459 | F451-E455 HydrophobicContact CD2-CB 4.43Å; F451-E455 HydrophobicContact CD2-CG 4.12Å; F451-E455 HydrophobicContact CE2-CB 4.25Å; F451-E455 HydrophobicContact CE2-CG 3.57Å; F451-E455 HydrophobicContact CZ-CG 4.18Å; F451-E455 WeakPolarHBondContact O-CA 3.13Å; F451-E455 PolarHBondContact O-N 3.13Å; E455-M457 PolarHBondContact O-N 3.12Å; E455-Y458 PolarHBondContact O-N 3.31Å; E455-Y459 HydrophobicContact CG-CD2 3.87Å; E455-Y459 HydrophobicContact CG-CE2 3.63Å; E455-Y459 VanDerWaalsContact O-CD2 3.29Å; E455-Y459 WeakPolarHBondContact O-CD2 3.23Å; E455-Y459 PolarHBondContact O-N 2.99Å; E455-Y459 VanDerWaalsContact O-N 3.1Å |
| 456 | F | 86.8 | Confident | 88.6 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 179.5 | 176.7 | -99.1 | 0 | 0 | 0 | 111.8 | N454 Y458 Y459 K460 E476 P477 | N454-F456 PolarHBondContact OD1-N 3.28Å; F456-Y458 PolarHBondContact O-N 2.77Å; F456-Y459 PolarHBondContact O-N 2.75Å; F456-K460 HydrophobicContact CD1-CG 4.47Å; F456-K460 HydrophobicContact CE1-CG 4.05Å; F456-K460 HydrophobicContact CE2-CG 4.47Å; F456-K460 HydrophobicContact CZ-CG 4.05Å; F456-K460 PolarHBondContact O-N 2.81Å; F456-E476 HydrophobicContact CB-CG 3.61Å; F456-E476 HydrophobicContact CD1-CG 3.88Å; F456-E476 HydrophobicContact CG-CG 3.91Å; F456-P477 HydrophobicContact CE2-CG 4.28Å; F456-P477 HydrophobicContact CZ-CG 4.23Å |
| 457 | M | 84.4 | Confident | 88 | Confident | 34 Ų | 34 | 76.7 Ų | 76.7 | 17% | 0.167 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 178.2 | -75.1 | -60.1 | -60.4 | 0 | 0 | 111.8 | N454 E455 Y459 K460 M461 V473 | N454-M457 HydrophobicContact CB-CB 4.03Å; N454-M457 HydrophobicContact CB-CG 4.3Å; N454-M457 PolarHBondContact O-N 2.9Å; N454-M457 VanDerWaalsContact OD1-CB 3.29Å; N454-M457 WeakPolarHBondContact OD1-CB 3.46Å; N454-M457 VanDerWaalsContact OD1-CG 3.3Å; N454-M457 WeakPolarHBondContact OD1-CG 3.33Å; N454-M457 PolarHBondContact OD1-N 3.02Å; E455-M457 PolarHBondContact O-N 3.12Å; M457-Y459 PolarHBondContact O-N 3.4Å; M457-K460 PolarHBondContact O-N 3.13Å; M457-M461 WeakPolarHBondContact O-CB 3.26Å; M457-M461 WeakPolarHBondContact O-CG 3.35Å; M457-M461 PolarHBondContact O-N 2.88Å; M457-V473 HydrophobicContact CE-CG1 4.48Å |
| 458 | Y | 88.6 | Confident | 87.2 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 4% | 0.035 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.7 | -49.9 | 174.7 | 164.6 | -95.5 | 0 | 0 | 0 | 111.5 | I409 E447 F451 N454 E455 F456 K460 M461 R462 | I409-Y458 HydrophobicContact CG2-CE1 4.38Å; E447-Y458 HydrophobicContact CB-CE2 4.23Å; F451-Y458 HydrophobicContact CB-CD1 4.26Å; F451-Y458 HydrophobicContact CB-CD2 4.2Å; F451-Y458 HydrophobicContact CB-CG 3.99Å; F451-Y458 AromaticContact CD2-CD1 3.52Å; F451-Y458 HydrophobicContact CD2-CD1 3.52Å; F451-Y458 AromaticContact CD2-CE1 3.92Å; F451-Y458 HydrophobicContact CD2-CE1 3.92Å; F451-Y458 HydrophobicContact CD2-CG 4.05Å; F451-Y458 HydrophobicContact CE2-CD1 4.38Å; F451-Y458 HydrophobicContact CG-CD1 4.36Å; N454-Y458 PolarHBondContact O-N 3.46Å; E455-Y458 PolarHBondContact O-N 3.31Å; F456-Y458 PolarHBondContact O-N 2.77Å; Y458-K460 VanDerWaalsContact C-N 3.32Å; Y458-K460 PolarHBondContact O-N 2.89Å; Y458-M461 PolarHBondContact O-N 3.19Å; Y458-R462 VanDerWaalsContact O-CB 3.31Å; Y458-R462 WeakPolarHBondContact O-CB 3.42Å; Y458-R462 PolarHBondContact O-N 3.35Å; Y458-R462 PolarHBondContact OH-NH1 3.3Å |
| 459 | Y | 87.8 | Confident | 86.2 | Confident | 102 Ų | 102 | 86.8 Ų | 86.8 | 40% | 0.4 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 179.4 | -76.5 | -63.4 | 0 | 0 | 0 | 112.2 | F451 E455 F456 M457 R462 E463 | F451-Y459 HydrophobicContact CD2-CE2 4.5Å; F451-Y459 AromaticContact CE2-CE2 3.87Å; F451-Y459 HydrophobicContact CE2-CE2 3.87Å; E455-Y459 HydrophobicContact CG-CD2 3.87Å; E455-Y459 HydrophobicContact CG-CE2 3.63Å; E455-Y459 VanDerWaalsContact O-CD2 3.29Å; E455-Y459 WeakPolarHBondContact O-CD2 3.23Å; E455-Y459 PolarHBondContact O-N 2.99Å; E455-Y459 VanDerWaalsContact O-N 3.1Å; F456-Y459 PolarHBondContact O-N 2.75Å; M457-Y459 PolarHBondContact O-N 3.4Å; Y459-R462 PolarHBondContact O-N 3.42Å; Y459-E463 VanDerWaalsContact O-CB 3.3Å; Y459-E463 WeakPolarHBondContact O-CB 3.47Å; Y459-E463 PolarHBondContact O-N 3.22Å |
| 460 | K | 85.8 | Confident | 84.3 | Confident | 100 Ų | 100 | 85.6 Ų | 85.6 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 174.5 | -75.6 | -68.2 | 172 | -158.5 | 0 | 113.2 | F456 M457 Y458 R462 E463 A464 | F456-K460 HydrophobicContact CD1-CG 4.47Å; F456-K460 HydrophobicContact CE1-CG 4.05Å; F456-K460 HydrophobicContact CE2-CG 4.47Å; F456-K460 HydrophobicContact CZ-CG 4.05Å; F456-K460 PolarHBondContact O-N 2.81Å; M457-K460 PolarHBondContact O-N 3.13Å; Y458-K460 VanDerWaalsContact C-N 3.32Å; Y458-K460 PolarHBondContact O-N 2.89Å; K460-R462 VanDerWaalsContact C-N 3.34Å; K460-E463 IonicContact NZ-OE2 3.82Å; K460-E463 PolarHBondContact NZ-OE2 3.28Å; K460-A464 WeakPolarHBondContact O-CB 3.37Å; K460-A464 PolarHBondContact O-N 3.02Å |
| 461 | M | 84 | Confident | 82.5 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 34% | 0.335 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 176.2 | -72 | 178.8 | 71.9 | 0 | 0 | 111.5 | M450 M457 Y458 A464 A465 M471 | M450-M461 HydrophobicContact CE-CE 3.35Å; M450-M461 HydrophobicContact CE-SD 3.49Å; M450-M461 WeakPolarHBondContact CE-SD 3.39Å; M457-M461 WeakPolarHBondContact O-CB 3.26Å; M457-M461 WeakPolarHBondContact O-CG 3.35Å; M457-M461 PolarHBondContact O-N 2.88Å; Y458-M461 PolarHBondContact O-N 3.19Å; M461-A464 PolarHBondContact O-N 2.77Å; M461-A465 WeakPolarHBondContact O-CB 3.38Å; M461-A465 PolarHBondContact O-N 3.03Å; M461-M471 HydrophobicContact CE-SD 4.13Å; M461-M471 HydrophobicContact CG-SD 3.82Å; M461-M471 HydrophobicContact SD-SD 4.3Å |
| 462 | R | 84.9 | Confident | 80.7 | Confident | 38 Ų | 38 | 93.8 Ų | 93.8 | 14% | 0.143 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 177.5 | -174.3 | -176.7 | -178.9 | 94.6 | 9.8 | 111.8 | W404 H405 E447 Y458 Y459 K460 A464 A465 L466 | W404-R462 PolarHBondContact O-NH1 3.17Å; W404-R462 PolarHBondContact O-NH2 2.94Å; H405-R462 PolarHBondContact O-NH2 2.83Å; E447-R462 IonicContact OE2-NH1 3.09Å; Y458-R462 VanDerWaalsContact O-CB 3.31Å; Y458-R462 WeakPolarHBondContact O-CB 3.42Å; Y458-R462 PolarHBondContact O-N 3.35Å; Y458-R462 PolarHBondContact OH-NH1 3.3Å; Y459-R462 PolarHBondContact O-N 3.42Å; K460-R462 VanDerWaalsContact C-N 3.34Å; R462-A464 VanDerWaalsContact C-N 3.34Å; R462-A464 PolarHBondContact O-N 3.3Å; R462-A465 PolarHBondContact O-N 3.18Å; R462-L466 HydrophobicContact CG-CD1 4.06Å; R462-L466 HydrophobicContact CG-CG 4.48Å; R462-L466 WeakPolarHBondContact O-CB 3.47Å; R462-L466 VanDerWaalsContact O-CG 3.31Å; R462-L466 WeakPolarHBondContact O-CG 3.25Å; R462-L466 PolarHBondContact O-N 2.76Å |
| 463 | E | 85 | Confident | 78.7 | Confident | 98 Ų | 98 | 91 Ų | 91 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 176.4 | -175.4 | -179.8 | -160.5 | 0 | 0 | 111.1 | Y459 K460 A465 L466 N467 | Y459-E463 VanDerWaalsContact O-CB 3.3Å; Y459-E463 WeakPolarHBondContact O-CB 3.47Å; Y459-E463 PolarHBondContact O-N 3.22Å; K460-E463 IonicContact NZ-OE2 3.82Å; K460-E463 PolarHBondContact NZ-OE2 3.28Å; E463-A465 PolarHBondContact O-N 2.81Å; E463-L466 PolarHBondContact O-N 2.83Å; E463-N467 WeakPolarHBondContact O-CB 3.5Å; E463-N467 PolarHBondContact O-N 3.24Å; E463-N467 PolarHBondContact O-ND2 3.39Å; E463-N467 VanDerWaalsContact O-ND2 3.12Å |
| 464 | A | 83.5 | Confident | 76.8 | Confident | 14 Ų | 14 | 89 Ų | 89 | 12% | 0.116 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K460 M461 R462 N467 N468 Q469 | K460-A464 WeakPolarHBondContact O-CB 3.37Å; K460-A464 PolarHBondContact O-N 3.02Å; M461-A464 PolarHBondContact O-N 2.77Å; R462-A464 VanDerWaalsContact C-N 3.34Å; R462-A464 PolarHBondContact O-N 3.3Å; A464-N467 CarbonylContact O-C 3.51Å; A464-N467 PolarHBondContact O-N 2.86Å; A464-N468 PolarHBondContact O-N 3.47Å; A464-Q469 HydrophobicContact CB-CB 4.5Å; A464-Q469 PolarHBondContact O-N 3.03Å |
| 465 | A | 81 | Confident | 75.1 | Confident | 70 Ų | 70 | 91.1 Ų | 91.1 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M461 R462 E463 N467 N468 | M461-A465 WeakPolarHBondContact O-CB 3.38Å; M461-A465 PolarHBondContact O-N 3.03Å; R462-A465 PolarHBondContact O-N 3.18Å; E463-A465 PolarHBondContact O-N 2.81Å; A465-N467 VanDerWaalsContact C-N 3.27Å; A465-N467 PolarHBondContact O-N 2.72Å; A465-N468 PolarHBondContact O-N 3.41Å |
| 466 | L | 80.6 | Confident | 73.1 | Confident | 125 Ų | 125 | 91.2 Ų | 91.2 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -32.2 | 177.5 | -71.2 | 172.3 | 0 | 0 | 0 | 112.3 | R462 E463 | R462-L466 HydrophobicContact CG-CD1 4.06Å; R462-L466 HydrophobicContact CG-CG 4.48Å; R462-L466 WeakPolarHBondContact O-CB 3.47Å; R462-L466 VanDerWaalsContact O-CG 3.31Å; R462-L466 WeakPolarHBondContact O-CG 3.25Å; R462-L466 PolarHBondContact O-N 2.76Å; E463-L466 PolarHBondContact O-N 2.83Å |
| 467 | N | 80.6 | Confident | 71.7 | Confident | 91 Ų | 91 | 92.6 Ų | 92.6 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 4.8 | -179.7 | -66.8 | -36.3 | 0 | 0 | 0 | 114.1 | E463 A464 A465 Q469 | E463-N467 WeakPolarHBondContact O-CB 3.5Å; E463-N467 PolarHBondContact O-N 3.24Å; E463-N467 PolarHBondContact O-ND2 3.39Å; E463-N467 VanDerWaalsContact O-ND2 3.12Å; A464-N467 CarbonylContact O-C 3.51Å; A464-N467 PolarHBondContact O-N 2.86Å; A465-N467 VanDerWaalsContact C-N 3.27Å; A465-N467 PolarHBondContact O-N 2.72Å; N467-Q469 HydrophobicContact CB-CG 3.94Å; N467-Q469 PolarHBondContact O-N 3.43Å |
| 468 | N | 78.5 | Confident | 70.2 | Confident | 158 Ų | 158 | 95.6 Ų | 95.6 | 85% | 0.845 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 37.1 | -172.6 | -81.8 | -22.4 | 0 | 0 | 0 | 113.6 | A464 A465 | A464-N468 PolarHBondContact O-N 3.47Å; A465-N468 PolarHBondContact O-N 3.41Å |
| 469 | Q | 73.5 | Confident | 68.4 | Low | 121 Ų | 121 | 103.2 Ų | 103.2 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 144.9 | -179.8 | -69.2 | -178.6 | -7.3 | 0 | 0 | 112.1 | A464 N467 | A464-Q469 HydrophobicContact CB-CB 4.5Å; A464-Q469 PolarHBondContact O-N 3.03Å; N467-Q469 HydrophobicContact CB-CG 3.94Å; N467-Q469 PolarHBondContact O-N 3.43Å |
| 470 | P | 55.8 | Low | 66.2 | Low | 121 Ų | 121 | 106 Ų | 106 | 79% | 0.786 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 136.8 | 173.9 | 26.5 | -31.1 | 0 | 0 | 0 | 111.2 | Q472 | P470-Q472 PolarHBondContact O-N 3.46Š|
| 471 | M | 52.7 | Low | 64.2 | Low | 108 Ų | 108 | 107 Ų | 107 | 53% | 0.532 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 128.4 | -175.4 | -168.4 | -178.5 | 69.8 | 0 | 0 | 111.8 | M461 V473 | M461-M471 HydrophobicContact CE-SD 4.13Å; M461-M471 HydrophobicContact CG-SD 3.82Å; M461-M471 HydrophobicContact SD-SD 4.3Å; M471-V473 HydrophobicContact CE-CG2 3.76Å |
| 472 | Q | 56.1 | Low | 62.4 | Low | 158 Ų | 158 | 107.9 Ų | 107.9 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 118.3 | 164.3 | -69.3 | -175.4 | -3 | 0 | 0 | 108.7 | P470 M474 | P470-Q472 PolarHBondContact O-N 3.46Å; Q472-M474 PolarHBondContact O-N 3.46Å |
| 473 | V | 50.3 | Low | 60.2 | Low | 116 Ų | 116 | 112 Ų | 112 | 70% | 0.703 | 65% | 0.646 | S | S | * | * | trans | -74.6 | 108.8 | 175.4 | -175 | 0 | 0 | 0 | 0 | 107.7 | M457 M471 | M457-V473 HydrophobicContact CE-CG1 4.48Å; M471-V473 HydrophobicContact CE-CG2 3.76Å | ||
| 474 | M | 53.6 | Low | 58.1 | Low | 122 Ų | 122 | 111.1 Ų | 111.1 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | trans | -120.1 | 135.4 | 174.1 | -64.8 | -172.4 | 71.1 | 0 | 0 | 108.9 | Q472 | Q472-M474 PolarHBondContact O-N 3.46Š| ||
| 475 | A | 53.5 | Low | 55.9 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 151.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 476 | E | 49.2 | Very low | 53.8 | Low | 107 Ų | 107 | 123.8 Ų | 123.8 | 50% | 0.5 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 133.4 | 170.1 | -89.6 | 177.9 | 162.2 | 0 | 0 | 110 | N454 F456 S478 | N454-E476 PolarHBondContact OD1-OE1 2.86Å; F456-E476 HydrophobicContact CB-CG 3.61Å; F456-E476 HydrophobicContact CD1-CG 3.88Å; F456-E476 HydrophobicContact CG-CG 3.91Å; E476-S478 PolarHBondContact O-N 3.3Å |
| 477 | P | 57.3 | Low | 51.8 | Low | 93 Ų | 93 | 126.3 Ų | 126.3 | 60% | 0.604 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 122.4 | 172.4 | -14.3 | 26.7 | 0 | 0 | 0 | 109 | F456 N479 | F456-P477 HydrophobicContact CE2-CG 4.28Å; F456-P477 HydrophobicContact CZ-CG 4.23Å; P477-N479 PolarHBondContact O-N 3.08Å |
| 478 | S | 52.2 | Low | 49.5 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 127.7 | 175.8 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | E476 E480 | E476-S478 PolarHBondContact O-N 3.3Å; S478-E480 PolarHBondContact O-N 3.33Å |
| 479 | N | 50.8 | Low | 47.6 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | trans | -75 | 24.2 | 171.9 | -93.7 | -15.9 | 0 | 0 | 0 | 113 | P477 P481 | P477-N479 PolarHBondContact O-N 3.08Å; N479-P481 WeakPolarHBondContact O-CD 3.32Å | ||
| 480 | E | 40.7 | Very low | 45.8 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 124 | 174.3 | -75.4 | -167.5 | 165.8 | 0 | 0 | 109.8 | S478 A482 | S478-E480 PolarHBondContact O-N 3.33Å; E480-A482 PolarHBondContact O-N 2.96Å |
| 481 | P | 44.8 | Very low | 45.3 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.7 | 172.6 | 20.9 | -22.9 | 0 | 0 | 0 | 108.9 | N479 | N479-P481 WeakPolarHBondContact O-CD 3.32Š|
| 482 | A | 46.1 | Very low | 44.9 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 135.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | E480 A484 | E480-A482 PolarHBondContact O-N 2.96Å; A482-A484 PolarHBondContact O-N 3.39Å |
| 483 | P | 38.5 | Very low | 44.3 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 125.6 | 178.2 | -12.6 | 22.3 | 0 | 0 | 0 | 109.8 | L485 | P483-L485 PolarHBondContact O-N 3.27Å; P483-L485 VanDerWaalsContact O-N 3.07Å |
| 484 | A | 40 | Very low | 44 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | trans | -58.7 | 113.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A482 F486 | A482-A484 PolarHBondContact O-N 3.39Å; A484-F486 VanDerWaalsContact C-N 3.32Å; A484-F486 HydrophobicContact CB-CD2 4.28Å; A484-F486 HydrophobicContact CB-CE2 4.24Å; A484-F486 PolarHBondContact O-N 3.22Å | ||
| 485 | L | 38.9 | Very low | 43.4 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 89.2 | 169.9 | -80.3 | 160.9 | 0 | 0 | 0 | 109.3 | P483 H487 | P483-L485 PolarHBondContact O-N 3.27Å; P483-L485 VanDerWaalsContact O-N 3.07Å; L485-H487 PolarHBondContact O-N 3.02Å | ||
| 486 | F | 37.1 | Very low | 42.7 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 97.6 | 164.8 | -86.6 | -84.2 | 0 | 0 | 0 | 109.5 | A484 K488 | A484-F486 VanDerWaalsContact C-N 3.32Å; A484-F486 HydrophobicContact CB-CD2 4.28Å; A484-F486 HydrophobicContact CB-CE2 4.24Å; A484-F486 PolarHBondContact O-N 3.22Å; F486-K488 PolarHBondContact O-N 3.25Å | ||
| 487 | H | 36.9 | Very low | 42.2 | Very low | 177 Ų | 177 | 152.4 Ų | 152.4 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | trans | -72.8 | 104.1 | 159 | -86.1 | -65.8 | 0 | 0 | 0 | 109.3 | L485 | L485-H487 PolarHBondContact O-N 3.02Š| ||
| 488 | K | 34 | Very low | 41.1 | Very low | 201 Ų | 201 | 156.9 Ų | 156.9 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -79.2 | 122.4 | 160.4 | -96.6 | -177 | 175.9 | 177.5 | 0 | 108.9 | F486 | F486-K488 PolarHBondContact O-N 3.25Š| ||
| 489 | K | 37.4 | Very low | 40.1 | Very low | 203 Ų | 203 | 162 Ų | 162 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | trans | -58 | 132.3 | 162.4 | -75.9 | 178.9 | 172.5 | 179.9 | 0 | 110 | ||||
| 490 | Q | 36.6 | Very low | 39.2 | Very low | 271 Ų | 271 | 161.3 Ų | 161.3 | 100% | 1.266 | 84% | 0.839 | S | S | * | * | trans | -139.2 | 0 | 135.9 | -95 | -174.7 | -3.8 | 0 | 0 | 108.1 |
Retrieved 490 of 490 residues in 1614.8 ms
(Link to these results)