| 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 | 56.9 | Low | 80.6 | Confident | 121 Ų | 121 | 60.5 Ų | 60.5 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | 0 | 130 | 0 | -67.2 | 164.4 | 174.1 | 0 | 0 | 108.2 | V3 E220 L277 E280 | M1-V3 PolarHBondContact O-N 2.68Å; M1-E220 WeakPolarHBondContact CA-OE2 3.41Å; M1-E220 PolarHBondContact N-OE1 2.96Å; M1-E220 PolarHBondContact N-OE2 3.5Å; M1-L277 CarbonylContact C-O 3.58Å; M1-L277 WeakPolarHBondContact CA-O 3.3Å; M1-E280 HydrophobicContact CE-CG 3.75Å | |||
| 2 | A | 64.2 | Low | 81.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -81.8 | 99.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L203 W205 I216 L277 T278 | A2-L203 HydrophobicContact CB-CD1 3.69Å; A2-W205 HydrophobicContact CB-CZ2 4.36Å; A2-W205 VanDerWaalsContact O-CH2 3.32Å; A2-W205 WeakPolarHBondContact O-CH2 3.35Å; A2-I216 HydrophobicContact CB-CG2 4Å; A2-L277 HydrophobicContact CB-CB 3.83Å; A2-L277 HydrophobicContact CB-CD1 4.31Å; A2-L277 PolarHBondContact N-O 3.06Å; A2-T278 VanDerWaalsContact O-CG2 3.32Å; A2-T278 WeakPolarHBondContact O-CG2 3.18Å | ||
| 3 | V | 74.3 | Confident | 81.9 | Confident | 102 Ų | 102 | 69.4 Ų | 69.4 | 62% | 0.618 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -96.9 | 126.1 | 175.9 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | M1 T214 | M1-V3 PolarHBondContact O-N 2.68Å; V3-T214 VanDerWaalsContact O-CG2 3.27Å; V3-T214 WeakPolarHBondContact O-CG2 3.24Å; V3-T214 PolarHBondContact O-OG1 3.46Å |
| 4 | R | 82.9 | Confident | 82.4 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 23% | 0.226 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 143.2 | 173.1 | -171.6 | 170.8 | 52.6 | -134.3 | -6.5 | 110.1 | E189 W205 Y208 | R4-E189 IonicContact CZ-OE1 2.73Å; R4-E189 VanDerWaalsContact CZ-OE1 3.22Å; R4-E189 IonicContact CZ-OE2 3.97Å; R4-E189 IonicContact NH1-OE1 3.76Å; R4-E189 PolarHBondContact NH1-OE1 2.74Å; R4-E189 IonicContact NH1-OE2 3.87Å; R4-E189 PolarHBondContact NH1-OE2 2.82Å; R4-E189 IonicContact NH2-OE1 3.86Å; R4-E189 PolarHBondContact NH2-OE1 3.47Å; R4-E189 IonicContact NH2-OE2 3.23Å; R4-W205 VanDerWaalsContact CA-CZ2 3.47Å; R4-W205 HydrophobicContact CB-CD2 3.7Å; R4-W205 VanDerWaalsContact CB-CE2 3.5Å; R4-W205 HydrophobicContact CB-CE3 3.93Å; R4-W205 HydrophobicContact CB-CG 4.34Å; R4-W205 HydrophobicContact CB-CH2 3.86Å; R4-W205 HydrophobicContact CB-CZ2 3.63Å; R4-W205 HydrophobicContact CB-CZ3 3.98Å; R4-W205 HydrophobicContact CG-CD2 3.71Å; R4-W205 HydrophobicContact CG-CE3 4.19Å; R4-W205 HydrophobicContact CG-CG 3.83Å; R4-W205 HydrophobicContact CG-CZ2 4.47Å; R4-Y208 VanDerWaalsContact CZ-OH 3.26Å; R4-Y208 VanDerWaalsContact NH1-CZ 3.27Å; R4-Y208 PolarHBondContact NH1-OH 2.85Å; R4-Y208 PolarHBondContact NH2-OH 3.44Å |
| 5 | K | 86 | Confident | 82.9 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 20% | 0.204 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 149.8 | 170.4 | -60.4 | -173.5 | -168.5 | 168.4 | 0 | 111.3 | D7 G9 S211 Y212 D213 | K5-D7 WeakPolarHBondContact CB-O 3.49Å; K5-D7 WeakPolarHBondContact CD-O 3.48Å; K5-G9 PolarHBondContact NZ-O 2.96Å; K5-S211 PolarHBondContact NZ-O 3.43Å; K5-Y212 HydrophobicContact CB-CD1 4.34Å; K5-D213 WeakPolarHBondContact CE-O 3.48Å |
| 6 | K | 82.9 | Confident | 83.5 | Confident | 192 Ų | 192 | 65.8 Ų | 65.8 | 84% | 0.835 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -74 | -32.5 | 173.6 | -64.6 | -178.7 | 179.9 | 178.5 | 0 | 111.7 | ||
| 7 | D | 87.1 | Confident | 83.9 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -133.3 | 170.9 | -174.8 | 50.8 | 68.7 | 0 | 0 | 0 | 110.3 | K5 G9 E61 | K5-D7 WeakPolarHBondContact CB-O 3.49Å; K5-D7 WeakPolarHBondContact CD-O 3.48Å; D7-G9 PolarHBondContact O-N 3.31Å; D7-G9 WeakPolarHBondContact OD1-CA 3.39Å; D7-G9 PolarHBondContact OD1-N 3.24Å; D7-E61 HydrophobicContact CB-CG 4.13Å |
| 8 | G | 84.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -80.4 | 19.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E61 S211 | G8-E61 WeakPolarHBondContact CA-OE2 3.41Å; G8-E61 PolarHBondContact N-OE1 3.49Å; G8-S211 WeakPolarHBondContact CA-OG 3.24Å |
| 9 | G | 88.4 | Confident | 84.4 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | trans | -71.9 | 166.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K5 D7 | K5-G9 PolarHBondContact NZ-O 2.96Å; D7-G9 PolarHBondContact O-N 3.31Å; D7-G9 WeakPolarHBondContact OD1-CA 3.39Å; D7-G9 PolarHBondContact OD1-N 3.24Å | ||
| 10 | P | 90.3 | Very high | 84.7 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | trans | -64.4 | 134.2 | 179.2 | 25.3 | -32.7 | 0 | 0 | 0 | 112.2 | V12 V54 L57 Q58 | P10-V12 VanDerWaalsContact C-N 3.34Å; P10-V12 PolarHBondContact O-N 3.22Å; P10-V54 HydrophobicContact CB-CG1 4.24Å; P10-V54 HydrophobicContact CG-CG1 4.1Å; P10-L57 HydrophobicContact CB-CB 3.77Å; P10-L57 HydrophobicContact CB-CD1 4.11Å; P10-L57 HydrophobicContact CG-CB 4.04Å; P10-Q58 HydrophobicContact CG-CB 4.14Å | ||
| 11 | N | 88.2 | Confident | 85.1 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | trans | -76.1 | 90.7 | 163.9 | -173.9 | -31.8 | 0 | 0 | 0 | 108.6 | K13 Y14 Y15 | N11-K13 VanDerWaalsContact C-N 3.28Å; N11-K13 PolarHBondContact O-N 3.37Å; N11-K13 PolarHBondContact OD1-N 3.44Å; N11-Y14 WeakPolarHBondContact O-CB 3.48Å; N11-Y14 PolarHBondContact O-N 3.35Å; N11-Y14 VanDerWaalsContact O-N 3.12Å; N11-Y14 PolarHBondContact OD1-N 3.33Å; N11-Y15 WeakPolarHBondContact O-CD2 3.31Å; N11-Y15 PolarHBondContact O-N 2.88Å | ||
| 12 | V | 90.7 | Very high | 86.9 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54 | -44.8 | -177.3 | -175 | 0 | 0 | 0 | 0 | 111.2 | P10 Y14 Y15 E16 V54 | P10-V12 VanDerWaalsContact C-N 3.34Å; P10-V12 PolarHBondContact O-N 3.22Å; V12-Y14 VanDerWaalsContact C-N 3.31Å; V12-Y14 PolarHBondContact O-N 2.77Å; V12-Y15 PolarHBondContact O-N 2.87Å; V12-E16 HydrophobicContact CG1-CG 4.06Å; V12-E16 WeakPolarHBondContact O-CG 3.41Å; V12-E16 PolarHBondContact O-N 3.48Å; V12-V54 HydrophobicContact CG1-CG1 4.48Å; V12-V54 HydrophobicContact CG2-CG1 3.99Å |
| 13 | K | 88.6 | Confident | 88.2 | Confident | 175 Ų | 175 | 61.2 Ų | 61.2 | 76% | 0.761 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.7 | -38.8 | 179.2 | -64.5 | -175.4 | 178.1 | -177 | 0 | 112.9 | N11 A17 | N11-K13 VanDerWaalsContact C-N 3.28Å; N11-K13 PolarHBondContact O-N 3.37Å; N11-K13 PolarHBondContact OD1-N 3.44Å; K13-A17 WeakPolarHBondContact O-CB 3.19Å; K13-A17 PolarHBondContact O-N 2.93Å |
| 14 | Y | 88.1 | Confident | 89.2 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 176 | 168.9 | -92.9 | 0 | 0 | 0 | 112.3 | N11 V12 T20 L82 W215 | N11-Y14 WeakPolarHBondContact O-CB 3.48Å; N11-Y14 PolarHBondContact O-N 3.35Å; N11-Y14 VanDerWaalsContact O-N 3.12Å; N11-Y14 PolarHBondContact OD1-N 3.33Å; V12-Y14 VanDerWaalsContact C-N 3.31Å; V12-Y14 PolarHBondContact O-N 2.77Å; Y14-T20 HydrophobicContact CD1-CG2 4.27Å; Y14-T20 HydrophobicContact CE1-CG2 3.85Å; Y14-T20 WeakPolarHBondContact O-CB 3.2Å; Y14-T20 WeakPolarHBondContact O-CG2 3.32Å; Y14-T20 PolarHBondContact O-OG1 2.87Å; Y14-L82 HydrophobicContact CE1-CD2 3.8Å; Y14-W215 AromaticContact CD2-CD1 3.95Å; Y14-W215 HydrophobicContact CD2-CD2 4.2Å; Y14-W215 AromaticContact CD2-CE2 3.43Å; Y14-W215 VanDerWaalsContact CD2-CE2 3.43Å; Y14-W215 HydrophobicContact CD2-CG 4.49Å; Y14-W215 AromaticContact CD2-CZ2 3.71Å; Y14-W215 HydrophobicContact CD2-CZ2 3.71Å; Y14-W215 AromaticContact CD2-NE1 3.25Å; Y14-W215 AromaticContact CE2-CE2 3.54Å; Y14-W215 HydrophobicContact CE2-CH2 4.11Å; Y14-W215 AromaticContact CE2-CZ2 3.27Å; Y14-W215 HydrophobicContact CE2-CZ2 3.27Å; Y14-W215 AromaticContact CE2-NE1 3.67Å; Y14-W215 AromaticContact CG-NE1 3.63Å |
| 15 | Y | 90.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -79.6 | -27.3 | -180 | -77.2 | -69.9 | 0 | 0 | 0 | 113.3 | N11 V12 T20 V21 F24 S50 V53 V54 L57 | N11-Y15 WeakPolarHBondContact O-CD2 3.31Å; N11-Y15 PolarHBondContact O-N 2.88Å; V12-Y15 PolarHBondContact O-N 2.87Å; Y15-T20 HydrophobicContact CD1-CG2 4.22Å; Y15-V21 WeakPolarHBondContact O-CG2 3.32Å; Y15-F24 HydrophobicContact CD1-CE2 4.45Å; Y15-F24 HydrophobicContact CD1-CZ 4.42Å; Y15-S50 WeakPolarHBondContact CB-OG 3.32Å; Y15-S50 PolarHBondContact O-OG 2.99Å; Y15-V53 HydrophobicContact CD1-CG1 4.08Å; Y15-V53 HydrophobicContact CE1-CB 4.46Å; Y15-V53 HydrophobicContact CE1-CG1 3.53Å; Y15-V53 HydrophobicContact CE2-CG1 4.36Å; Y15-V54 VanDerWaalsContact CB-CG2 3.44Å; Y15-V54 HydrophobicContact CD2-CG2 3.86Å; Y15-V54 HydrophobicContact CG-CG2 3.79Å; Y15-L57 HydrophobicContact CE2-CD1 3.66Å |
| 16 | E | 91.4 | Very high | 90.1 | Very high | 128 Ų | 128 | 58 Ų | 58 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -81.3 | -18.9 | 173.7 | -68.8 | -172.5 | 135.9 | 0 | 0 | 113.6 | V12 A18 | V12-E16 HydrophobicContact CG1-CG 4.06Å; V12-E16 WeakPolarHBondContact O-CG 3.41Å; V12-E16 PolarHBondContact O-N 3.48Å; E16-A18 PolarHBondContact O-N 3.31Å |
| 17 | A | 89.9 | Confident | 90.7 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -58.4 | 130.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K13 D19 T20 V21 | K13-A17 WeakPolarHBondContact O-CB 3.19Å; K13-A17 PolarHBondContact O-N 2.93Å; A17-D19 VanDerWaalsContact CB-OD1 3.26Å; A17-D19 WeakPolarHBondContact CB-OD1 3.45Å; A17-D19 PolarHBondContact O-N 3.47Å; A17-D19 VanDerWaalsContact O-N 3.14Å; A17-T20 PolarHBondContact O-N 3.24Å; A17-V21 WeakPolarHBondContact O-CG2 3.32Å; A17-V21 PolarHBondContact O-N 3.48Å |
| 18 | A | 90.4 | Very high | 91.1 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.5 | -32.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E16 V21 T22 | E16-A18 PolarHBondContact O-N 3.31Å; A18-V21 PolarHBondContact O-N 3.42Å; A18-T22 PolarHBondContact O-N 2.87Å |
| 19 | D | 88.2 | Confident | 91.6 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -75.3 | -27.5 | 176.5 | 66.2 | -45.2 | 0 | 0 | 0 | 113.2 | A17 T22 R197 | A17-D19 VanDerWaalsContact CB-OD1 3.26Å; A17-D19 WeakPolarHBondContact CB-OD1 3.45Å; A17-D19 PolarHBondContact O-N 3.47Å; A17-D19 VanDerWaalsContact O-N 3.14Å; D19-T22 PolarHBondContact O-OG1 3.17Å; D19-R197 PolarHBondContact O-NH2 3.33Å; D19-R197 IonicContact OD2-CZ 3.33Å; D19-R197 IonicContact OD2-NE 2.71Å; D19-R197 PolarHBondContact OD2-NE 2.88Å; D19-R197 IonicContact OD2-NH1 3.22Å; D19-R197 IonicContact OD2-NH2 3.53Å; D19-R197 PolarHBondContact OD2-NH2 3.37Å |
| 20 | T | 89.3 | Confident | 92 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.2 | -38.7 | 165.8 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | Y14 Y15 A17 T22 Q23 F24 F84 R197 | Y14-T20 HydrophobicContact CD1-CG2 4.27Å; Y14-T20 HydrophobicContact CE1-CG2 3.85Å; Y14-T20 WeakPolarHBondContact O-CB 3.2Å; Y14-T20 WeakPolarHBondContact O-CG2 3.32Å; Y14-T20 PolarHBondContact O-OG1 2.87Å; Y15-T20 HydrophobicContact CD1-CG2 4.22Å; A17-T20 PolarHBondContact O-N 3.24Å; T20-T22 VanDerWaalsContact C-N 3.29Å; T20-T22 PolarHBondContact O-N 2.89Å; T20-Q23 PolarHBondContact O-N 2.95Å; T20-Q23 VanDerWaalsContact O-N 3.09Å; T20-F24 HydrophobicContact CG2-CE2 4.39Å; T20-F24 WeakPolarHBondContact O-CD2 3.29Å; T20-F84 HydrophobicContact CG2-CZ 4.13Å; T20-R197 PolarHBondContact OG1-NH1 3.3Å |
| 21 | V | 93.8 | Very high | 92.2 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -34.2 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | Y15 A17 A18 Q23 F24 N46 K47 | Y15-V21 WeakPolarHBondContact O-CG2 3.32Å; A17-V21 WeakPolarHBondContact O-CG2 3.32Å; A17-V21 PolarHBondContact O-N 3.48Å; A18-V21 PolarHBondContact O-N 3.42Å; V21-Q23 PolarHBondContact O-N 3.34Å; V21-F24 PolarHBondContact O-N 3.12Å; V21-N46 HydrophobicContact CG1-CB 3.68Å; V21-N46 VanDerWaalsContact O-CB 3.26Å; V21-N46 WeakPolarHBondContact O-CB 3.39Å; V21-N46 PolarHBondContact O-ND2 3.13Å; V21-K47 HydrophobicContact CG1-CB 4.49Å |
| 22 | T | 93.8 | Very high | 92.4 | Very high | 85 Ų | 85 | 54.2 Ų | 54.2 | 52% | 0.521 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.7 | -28.4 | 173.9 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | A18 D19 T20 F24 D25 | A18-T22 PolarHBondContact O-N 2.87Å; D19-T22 PolarHBondContact O-OG1 3.17Å; T20-T22 VanDerWaalsContact C-N 3.29Å; T20-T22 PolarHBondContact O-N 2.89Å; T22-F24 PolarHBondContact O-N 3.16Å; T22-D25 WeakPolarHBondContact O-CB 3.29Å; T22-D25 PolarHBondContact O-N 3.12Å |
| 23 | Q | 91.8 | Very high | 92.6 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -23.2 | 177.2 | -61.8 | -165.1 | 35.3 | 0 | 0 | 113.1 | T20 V21 D25 F84 R197 | T20-Q23 PolarHBondContact O-N 2.95Å; T20-Q23 VanDerWaalsContact O-N 3.09Å; V21-Q23 PolarHBondContact O-N 3.34Å; Q23-D25 PolarHBondContact O-N 2.67Å; Q23-F84 HydrophobicContact CB-CB 4.05Å; Q23-F84 HydrophobicContact CB-CD1 3.78Å; Q23-F84 HydrophobicContact CB-CD2 4.21Å; Q23-F84 HydrophobicContact CB-CE1 4.29Å; Q23-F84 HydrophobicContact CB-CG 3.74Å; Q23-R197 VanDerWaalsContact NE2-NH2 3.11Å |
| 24 | F | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -8.6 | 173.2 | -76.8 | -86.7 | 0 | 0 | 0 | 114.4 | Y15 T20 V21 T22 N26 V27 R28 N46 L49 S50 V53 F84 L90 L94 | Y15-F24 HydrophobicContact CD1-CE2 4.45Å; Y15-F24 HydrophobicContact CD1-CZ 4.42Å; T20-F24 HydrophobicContact CG2-CE2 4.39Å; T20-F24 WeakPolarHBondContact O-CD2 3.29Å; V21-F24 PolarHBondContact O-N 3.12Å; T22-F24 PolarHBondContact O-N 3.16Å; F24-N26 PolarHBondContact O-N 3.4Å; F24-V27 HydrophobicContact CD1-CB 4.42Å; F24-V27 WeakPolarHBondContact O-CB 3.48Å; F24-V27 PolarHBondContact O-N 3.43Å; F24-R28 VanDerWaalsContact O-CB 3.3Å; F24-R28 WeakPolarHBondContact O-CB 3.04Å; F24-R28 PolarHBondContact O-N 3.04Å; F24-N46 HydrophobicContact CB-CB 3.92Å; F24-L49 HydrophobicContact CB-CD1 4.42Å; F24-L49 HydrophobicContact CD1-CB 3.5Å; F24-L49 VanDerWaalsContact CD1-CB 3.5Å; F24-L49 HydrophobicContact CD1-CD1 4.16Å; F24-L49 HydrophobicContact CD1-CG 4.48Å; F24-L49 HydrophobicContact CE1-CB 3.89Å; F24-L49 HydrophobicContact CG-CB 4.17Å; F24-S50 VanDerWaalsContact CE2-CB 3.47Å; F24-S50 WeakPolarHBondContact CE2-OG 3.4Å; F24-V53 HydrophobicContact CE1-CG2 3.82Å; F24-V53 HydrophobicContact CZ-CB 4.33Å; F24-V53 HydrophobicContact CZ-CG2 3.89Å; F24-F84 HydrophobicContact CD1-CE1 4.47Å; F24-F84 AromaticContact CD2-CE1 3.99Å; F24-F84 HydrophobicContact CD2-CE1 3.99Å; F24-F84 HydrophobicContact CE1-CE1 4.19Å; F24-F84 AromaticContact CE2-CE1 3.66Å; F24-F84 HydrophobicContact CE2-CE1 3.66Å; F24-F84 HydrophobicContact CE2-CZ 4.43Å; F24-F84 HydrophobicContact CG-CE1 4.4Å; F24-F84 AromaticContact CZ-CE1 3.77Å; F24-F84 HydrophobicContact CZ-CE1 3.77Å; F24-L90 HydrophobicContact CE1-CD2 3.94Å; F24-L90 HydrophobicContact CZ-CD2 4.42Å; F24-L94 HydrophobicContact CE1-CD1 4.27Å |
| 25 | D | 95 | Very high | 93 | Very high | 52 Ų | 52 | 57.4 Ų | 57.4 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 177 | -88.6 | -55.9 | 0 | 0 | 0 | 112.9 | T22 Q23 V27 R28 L29 N46 | T22-D25 WeakPolarHBondContact O-CB 3.29Å; T22-D25 PolarHBondContact O-N 3.12Å; Q23-D25 PolarHBondContact O-N 2.67Å; D25-V27 VanDerWaalsContact C-N 3.31Å; D25-V27 PolarHBondContact O-N 3.18Å; D25-R28 PolarHBondContact O-N 3Å; D25-R28 IonicContact OD1-CZ 3.78Å; D25-R28 IonicContact OD1-NE 2.76Å; D25-R28 PolarHBondContact OD1-NE 2.99Å; D25-R28 IonicContact OD1-NH2 3.28Å; D25-R28 PolarHBondContact OD1-NH2 3.46Å; D25-L29 VanDerWaalsContact O-CB 3.31Å; D25-L29 WeakPolarHBondContact O-CB 3.47Å; D25-L29 WeakPolarHBondContact O-CG 3.36Å; D25-L29 PolarHBondContact O-N 3.08Å; D25-N46 PolarHBondContact OD1-ND2 3.14Å; D25-N46 PolarHBondContact OD1-OD1 3.13Å; D25-N46 PolarHBondContact OD2-ND2 3.04Å |
| 26 | N | 93.4 | Very high | 93.1 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 175.1 | -74 | -35.6 | 0 | 0 | 0 | 111.4 | F24 W30 F84 | F24-N26 PolarHBondContact O-N 3.4Å; N26-W30 WeakPolarHBondContact O-CB 3.38Å; N26-W30 PolarHBondContact O-N 2.92Å; N26-F84 WeakPolarHBondContact CB-O 3.32Å |
| 27 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 178.5 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | F24 D25 L29 W30 L31 L49 F84 L90 L94 | F24-V27 HydrophobicContact CD1-CB 4.42Å; F24-V27 WeakPolarHBondContact O-CB 3.48Å; F24-V27 PolarHBondContact O-N 3.43Å; D25-V27 VanDerWaalsContact C-N 3.31Å; D25-V27 PolarHBondContact O-N 3.18Å; V27-L29 PolarHBondContact O-N 2.89Å; V27-W30 PolarHBondContact O-N 3.48Å; V27-L31 HydrophobicContact CG1-CD1 4.02Å; V27-L31 WeakPolarHBondContact O-CB 3.42Å; V27-L31 VanDerWaalsContact O-CG 3.28Å; V27-L31 WeakPolarHBondContact O-CG 3.38Å; V27-L31 PolarHBondContact O-N 2.95Å; V27-L49 HydrophobicContact CG1-CD1 4.29Å; V27-F84 HydrophobicContact CG2-CD1 4.4Å; V27-L90 HydrophobicContact CG2-CD2 4.04Å; V27-L90 HydrophobicContact CG2-CG 4.42Å; V27-L94 HydrophobicContact CG1-CD1 3.62Å |
| 28 | R | 95.6 | Very high | 93.2 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 177.5 | -176.6 | -179.3 | 63 | 82.4 | 1 | 112 | F24 D25 G32 P44 N46 L49 | F24-R28 VanDerWaalsContact O-CB 3.3Å; F24-R28 WeakPolarHBondContact O-CB 3.04Å; F24-R28 PolarHBondContact O-N 3.04Å; D25-R28 PolarHBondContact O-N 3Å; D25-R28 IonicContact OD1-CZ 3.78Å; D25-R28 IonicContact OD1-NE 2.76Å; D25-R28 PolarHBondContact OD1-NE 2.99Å; D25-R28 IonicContact OD1-NH2 3.28Å; D25-R28 PolarHBondContact OD1-NH2 3.46Å; R28-G32 PolarHBondContact O-N 3.32Å; R28-P44 WeakPolarHBondContact CD-O 3.4Å; R28-P44 WeakPolarHBondContact CG-O 3.36Å; R28-N46 WeakPolarHBondContact CD-OD1 3.24Å; R28-N46 PolarHBondContact NE-OD1 3.33Å; R28-L49 HydrophobicContact CB-CD1 3.88Å |
| 29 | L | 94.9 | Very high | 93.3 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 177.5 | -71.5 | 170.8 | 0 | 0 | 0 | 112 | D25 V27 G32 K33 | D25-L29 VanDerWaalsContact O-CB 3.31Å; D25-L29 WeakPolarHBondContact O-CB 3.47Å; D25-L29 WeakPolarHBondContact O-CG 3.36Å; D25-L29 PolarHBondContact O-N 3.08Å; V27-L29 PolarHBondContact O-N 2.89Å; L29-G32 PolarHBondContact O-N 3.36Å; L29-K33 WeakPolarHBondContact O-CG 3.47Å; L29-K33 PolarHBondContact O-N 2.88Å; L29-K33 VanDerWaalsContact O-N 3.11Å |
| 30 | W | 95.9 | Very high | 93.2 | Very high | 42 Ų | 42 | 65.6 Ų | 65.6 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 176.2 | -174.9 | 97.1 | 0 | 0 | 0 | 112.1 | N26 V27 G32 K33 N34 Y35 A86 G87 C91 H92 A95 | N26-W30 WeakPolarHBondContact O-CB 3.38Å; N26-W30 PolarHBondContact O-N 2.92Å; V27-W30 PolarHBondContact O-N 3.48Å; W30-G32 VanDerWaalsContact C-N 3.34Å; W30-K33 PolarHBondContact O-N 3.28Å; W30-N34 PolarHBondContact NE1-ND2 3.2Å; W30-N34 PolarHBondContact O-N 3.48Å; W30-N34 PolarHBondContact O-ND2 3.49Å; W30-Y35 HydrophobicContact CH2-CD2 4.14Å; W30-Y35 AromaticContact CH2-CE2 3.6Å; W30-Y35 HydrophobicContact CH2-CE2 3.6Å; W30-Y35 AromaticContact CZ3-CD2 3.77Å; W30-Y35 HydrophobicContact CZ3-CD2 3.77Å; W30-Y35 AromaticContact CZ3-CE2 3.69Å; W30-Y35 HydrophobicContact CZ3-CE2 3.69Å; W30-A86 HydrophobicContact CB-CB 4.37Å; W30-G87 VanDerWaalsContact CD1-N 3.26Å; W30-C91 HydrophobicContact CD2-CB 3.92Å; W30-C91 HydrophobicContact CE3-CB 3.55Å; W30-C91 HydrophobicContact CH2-CB 4.13Å; W30-C91 HydrophobicContact CZ2-CB 4.49Å; W30-C91 HydrophobicContact CZ3-CB 3.66Å; W30-H92 AromaticContact CH2-CE1 3.77Å; W30-H92 AromaticContact CH2-NE2 3.84Å; W30-H92 AromaticContact CZ2-CE1 3.91Å; W30-H92 AromaticContact CZ2-NE2 3.73Å; W30-A95 HydrophobicContact CZ3-CB 4.03Å |
| 31 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 172.2 | -70.5 | 170 | 0 | 0 | 0 | 111.1 | V27 K33 N34 Y35 K36 I39 L49 L94 A95 | V27-L31 HydrophobicContact CG1-CD1 4.02Å; V27-L31 WeakPolarHBondContact O-CB 3.42Å; V27-L31 VanDerWaalsContact O-CG 3.28Å; V27-L31 WeakPolarHBondContact O-CG 3.38Å; V27-L31 PolarHBondContact O-N 2.95Å; L31-K33 PolarHBondContact O-N 3.03Å; L31-N34 PolarHBondContact O-N 2.89Å; L31-Y35 HydrophobicContact CD2-CD2 4.5Å; L31-Y35 CarbonylContact O-C 3.59Å; L31-Y35 WeakPolarHBondContact O-CA 3.33Å; L31-Y35 PolarHBondContact O-N 3.03Å; L31-K36 PolarHBondContact O-N 3.38Å; L31-I39 HydrophobicContact CB-CD1 4.04Å; L31-I39 WeakPolarHBondContact O-CD1 3.42Å; L31-L49 HydrophobicContact CD1-CD1 4.24Å; L31-L49 HydrophobicContact CD1-CD2 4.03Å; L31-L94 HydrophobicContact CD1-CB 4.03Å; L31-A95 HydrophobicContact CD2-CB 3.75Å |
| 32 | G | 92.9 | Very high | 92.5 | Very high | 35 Ų | 35 | 74.5 Ų | 74.5 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.7 | -28.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R28 L29 W30 | R28-G32 PolarHBondContact O-N 3.32Å; L29-G32 PolarHBondContact O-N 3.36Å; W30-G32 VanDerWaalsContact C-N 3.34Å |
| 33 | K | 94.2 | Very high | 92.3 | Very high | 167 Ų | 167 | 75.1 Ų | 75.1 | 73% | 0.726 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -85.5 | -54.1 | 174.7 | -71.5 | 172 | -178.9 | -178.3 | 0 | 112 | L29 W30 L31 | L29-K33 WeakPolarHBondContact O-CG 3.47Å; L29-K33 PolarHBondContact O-N 2.88Å; L29-K33 VanDerWaalsContact O-N 3.11Å; W30-K33 PolarHBondContact O-N 3.28Å; L31-K33 PolarHBondContact O-N 3.03Å |
| 34 | N | 93.1 | Very high | 92.4 | Very high | 97 Ų | 97 | 72.4 Ų | 72.4 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -90.4 | -31.9 | -166.1 | -61.8 | -72.6 | 0 | 0 | 0 | 114.1 | W30 L31 | W30-N34 PolarHBondContact NE1-ND2 3.2Å; W30-N34 PolarHBondContact O-N 3.48Å; W30-N34 PolarHBondContact O-ND2 3.49Å; L31-N34 PolarHBondContact O-N 2.89Å |
| 35 | Y | 93.1 | Very high | 92.4 | Very high | 57 Ų | 57 | 76.3 Ų | 76.3 | 22% | 0.224 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -116.5 | 15.5 | -173.4 | -73.1 | -96.6 | 0 | 0 | 0 | 113.2 | W30 L31 K37 Y38 A95 | W30-Y35 HydrophobicContact CH2-CD2 4.14Å; W30-Y35 AromaticContact CH2-CE2 3.6Å; W30-Y35 HydrophobicContact CH2-CE2 3.6Å; W30-Y35 AromaticContact CZ3-CD2 3.77Å; W30-Y35 HydrophobicContact CZ3-CD2 3.77Å; W30-Y35 AromaticContact CZ3-CE2 3.69Å; W30-Y35 HydrophobicContact CZ3-CE2 3.69Å; L31-Y35 HydrophobicContact CD2-CD2 4.5Å; L31-Y35 CarbonylContact O-C 3.59Å; L31-Y35 WeakPolarHBondContact O-CA 3.33Å; L31-Y35 PolarHBondContact O-N 3.03Å; Y35-K37 VanDerWaalsContact C-N 3.25Å; Y35-K37 PolarHBondContact O-N 3.42Å; Y35-Y38 AromaticContact CD1-CD2 3.78Å; Y35-Y38 HydrophobicContact CD1-CD2 3.78Å; Y35-Y38 HydrophobicContact CD1-CE2 4.05Å; Y35-Y38 PolarHBondContact O-N 3.04Å; Y35-A95 HydrophobicContact CD1-CB 3.85Å; Y35-A95 HydrophobicContact CD2-CB 3.66Å; Y35-A95 HydrophobicContact CE1-CB 3.77Å; Y35-A95 HydrophobicContact CE2-CB 3.59Å; Y35-A95 HydrophobicContact CG-CB 3.83Å |
| 36 | K | 92 | Very high | 92.4 | Very high | 125 Ų | 125 | 74.9 Ų | 74.9 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -39.9 | -47.4 | -175.6 | -171 | 176.2 | 177.3 | -179.8 | 0 | 114.3 | L31 Y38 I39 Q40 | L31-K36 PolarHBondContact O-N 3.38Å; K36-Y38 PolarHBondContact O-N 3.35Å; K36-Y38 VanDerWaalsContact O-N 3.16Å; K36-I39 WeakPolarHBondContact O-CG1 3.3Å; K36-I39 PolarHBondContact O-N 3.14Å; K36-I39 VanDerWaalsContact O-N 3.09Å; K36-Q40 WeakPolarHBondContact O-CB 3.44Å; K36-Q40 PolarHBondContact O-N 2.84Å |
| 37 | K | 93.3 | Very high | 92.5 | Very high | 159 Ų | 159 | 77.3 Ų | 77.3 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.3 | -26.6 | -177.7 | 71.8 | -178.3 | -172.8 | 179.2 | 0 | 114.7 | Y35 | Y35-K37 VanDerWaalsContact C-N 3.25Å; Y35-K37 PolarHBondContact O-N 3.42Å |
| 38 | Y | 91.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 79.3 Ų | 79.3 | 19% | 0.192 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -89.7 | -15.5 | -180 | -62.2 | -68 | 0 | 0 | 0 | 113.5 | Y35 K36 K99 | Y35-Y38 AromaticContact CD1-CD2 3.78Å; Y35-Y38 HydrophobicContact CD1-CD2 3.78Å; Y35-Y38 HydrophobicContact CD1-CE2 4.05Å; Y35-Y38 PolarHBondContact O-N 3.04Å; K36-Y38 PolarHBondContact O-N 3.35Å; K36-Y38 VanDerWaalsContact O-N 3.16Å; Y38-K99 HydrophobicContact CD1-CB 4.43Å; Y38-K99 HydrophobicContact CD1-CG 4.41Å; Y38-K99 HydrophobicContact CD2-CB 4.38Å; Y38-K99 HydrophobicContact CE1-CB 4.36Å; Y38-K99 HydrophobicContact CE1-CG 3.87Å; Y38-K99 HydrophobicContact CE2-CB 4.3Å; Y38-K99 HydrophobicContact CE2-CD 4.33Å; Y38-K99 HydrophobicContact CE2-CG 4.14Å; Y38-K99 HydrophobicContact CG-CB 4.42Å |
| 39 | I | 92.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.051 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -120.6 | -6.5 | -174.3 | 63 | 175.6 | 0 | 0 | 0 | 113.6 | L31 K36 A41 E42 P43 P44 Y98 | L31-I39 HydrophobicContact CB-CD1 4.04Å; L31-I39 WeakPolarHBondContact O-CD1 3.42Å; K36-I39 WeakPolarHBondContact O-CG1 3.3Å; K36-I39 PolarHBondContact O-N 3.14Å; K36-I39 VanDerWaalsContact O-N 3.09Å; I39-A41 PolarHBondContact O-N 3.29Å; I39-E42 CarbonylContact O-C 3.08Å; I39-E42 PolarHBondContact O-N 3.45Å; I39-E42 VanDerWaalsContact O-N 3.13Å; I39-P43 WeakPolarHBondContact O-CA 3.44Å; I39-P44 HydrophobicContact CB-CG 4.48Å; I39-P44 HydrophobicContact CD1-CG 4.14Å; I39-Y98 HydrophobicContact CG2-CD1 3.72Å; I39-Y98 HydrophobicContact CG2-CD2 4.36Å; I39-Y98 HydrophobicContact CG2-CE1 4.35Å; I39-Y98 HydrophobicContact CG2-CG 3.73Å |
| 40 | Q | 85.8 | Confident | 92.6 | Very high | 133 Ų | 133 | 71 Ų | 71 | 62% | 0.621 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -26.6 | -178.1 | 178.5 | 169.7 | -20.4 | 0 | 0 | 113.6 | K36 | K36-Q40 WeakPolarHBondContact O-CB 3.44Å; K36-Q40 PolarHBondContact O-N 2.84Å |
| 41 | A | 83.4 | Confident | 92.6 | Very high | 106 Ų | 106 | 71.2 Ų | 71.2 | 88% | 0.876 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -23.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I39 | I39-A41 PolarHBondContact O-N 3.29Š|
| 42 | E | 85.4 | Confident | 92.6 | Very high | 108 Ų | 108 | 71.5 Ų | 71.5 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -151.5 | 80.9 | -179.6 | -174.2 | -176.5 | -144.8 | 0 | 0 | 108.5 | I39 P44 K101 | I39-E42 CarbonylContact O-C 3.08Å; I39-E42 PolarHBondContact O-N 3.45Å; I39-E42 VanDerWaalsContact O-N 3.13Å; E42-P44 WeakPolarHBondContact O-CD 3.29Å; E42-K101 IonicContact OE2-NZ 3.91Å; E42-K101 PolarHBondContact OE2-NZ 3.19Å |
| 43 | P | 89.5 | Confident | 92.8 | Very high | 98 Ų | 98 | 69.8 Ų | 69.8 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 122.3 | -173 | -25.7 | 36.4 | 0 | 0 | 0 | 111.9 | I39 T45 | I39-P43 WeakPolarHBondContact O-CA 3.44Å; P43-T45 PolarHBondContact O-N 3.15Å |
| 44 | P | 93.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 62.9 Ų | 62.9 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 131 | -175 | 23.8 | -33.7 | 0 | 0 | 0 | 112.2 | R28 I39 E42 L49 | R28-P44 WeakPolarHBondContact CD-O 3.4Å; R28-P44 WeakPolarHBondContact CG-O 3.36Å; I39-P44 HydrophobicContact CB-CG 4.48Å; I39-P44 HydrophobicContact CD1-CG 4.14Å; E42-P44 WeakPolarHBondContact O-CD 3.29Å; P44-L49 HydrophobicContact CB-CD1 4.43Å; P44-L49 HydrophobicContact CB-CD2 3.58Å; P44-L49 HydrophobicContact CB-CG 3.89Å; P44-L49 HydrophobicContact CG-CD2 4.25Å |
| 45 | T | 95.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 156.4 | 163.1 | 71.6 | 0 | 0 | 0 | 0 | 110 | P43 K47 S48 L49 | P43-T45 PolarHBondContact O-N 3.15Å; T45-K47 PolarHBondContact O-N 3.17Å; T45-S48 WeakPolarHBondContact CA-OG 3.38Å; T45-S48 PolarHBondContact N-OG 2.75Å; T45-S48 PolarHBondContact O-N 3.47Å; T45-S48 VanDerWaalsContact O-N 3.11Å; T45-S48 PolarHBondContact O-OG 2.81Å; T45-S48 PolarHBondContact OG1-N 2.99Å; T45-S48 VanDerWaalsContact OG1-N 3.12Å; T45-S48 PolarHBondContact OG1-OG 2.85Å; T45-L49 PolarHBondContact O-N 2.97Å |
| 46 | N | 96 | Very high | 93.3 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.6 | -41.3 | 175.1 | -63.8 | 14.8 | 0 | 0 | 0 | 112.4 | V21 F24 D25 R28 L49 S50 | V21-N46 HydrophobicContact CG1-CB 3.68Å; V21-N46 VanDerWaalsContact O-CB 3.26Å; V21-N46 WeakPolarHBondContact O-CB 3.39Å; V21-N46 PolarHBondContact O-ND2 3.13Å; F24-N46 HydrophobicContact CB-CB 3.92Å; D25-N46 PolarHBondContact OD1-ND2 3.14Å; D25-N46 PolarHBondContact OD1-OD1 3.13Å; D25-N46 PolarHBondContact OD2-ND2 3.04Å; R28-N46 WeakPolarHBondContact CD-OD1 3.24Å; R28-N46 PolarHBondContact NE-OD1 3.33Å; N46-L49 PolarHBondContact O-N 3.26Å; N46-S50 PolarHBondContact O-N 3.12Å |
| 47 | K | 95.4 | Very high | 93.4 | Very high | 142 Ų | 142 | 54.1 Ų | 54.1 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 177.4 | -171.1 | 170.5 | -176.8 | 173.6 | 0 | 111.4 | V21 T45 L49 S50 S51 | V21-K47 HydrophobicContact CG1-CB 4.49Å; T45-K47 PolarHBondContact O-N 3.17Å; K47-L49 PolarHBondContact O-N 3.46Å; K47-S50 PolarHBondContact O-N 2.83Å; K47-S51 PolarHBondContact O-N 3.39Å; K47-S51 PolarHBondContact O-OG 2.96Å; K47-S51 VanDerWaalsContact O-OG 3.13Å |
| 48 | S | 94.9 | Very high | 93.5 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.4 | -32.1 | 176 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | T45 L52 | T45-S48 WeakPolarHBondContact CA-OG 3.38Å; T45-S48 PolarHBondContact N-OG 2.75Å; T45-S48 PolarHBondContact O-N 3.47Å; T45-S48 VanDerWaalsContact O-N 3.11Å; T45-S48 PolarHBondContact O-OG 2.81Å; T45-S48 PolarHBondContact OG1-N 2.99Å; T45-S48 VanDerWaalsContact OG1-N 3.12Å; T45-S48 PolarHBondContact OG1-OG 2.85Å; S48-L52 WeakPolarHBondContact O-CB 3.38Å; S48-L52 PolarHBondContact O-N 2.96Å |
| 49 | L | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 172 | -66.1 | -179.4 | 0 | 0 | 0 | 110.9 | F24 V27 R28 L31 P44 T45 N46 K47 L52 V53 L94 Y98 | F24-L49 HydrophobicContact CB-CD1 4.42Å; F24-L49 HydrophobicContact CD1-CB 3.5Å; F24-L49 VanDerWaalsContact CD1-CB 3.5Å; F24-L49 HydrophobicContact CD1-CD1 4.16Å; F24-L49 HydrophobicContact CD1-CG 4.48Å; F24-L49 HydrophobicContact CE1-CB 3.89Å; F24-L49 HydrophobicContact CG-CB 4.17Å; V27-L49 HydrophobicContact CG1-CD1 4.29Å; R28-L49 HydrophobicContact CB-CD1 3.88Å; L31-L49 HydrophobicContact CD1-CD1 4.24Å; L31-L49 HydrophobicContact CD1-CD2 4.03Å; P44-L49 HydrophobicContact CB-CD1 4.43Å; P44-L49 HydrophobicContact CB-CD2 3.58Å; P44-L49 HydrophobicContact CB-CG 3.89Å; P44-L49 HydrophobicContact CG-CD2 4.25Å; T45-L49 PolarHBondContact O-N 2.97Å; N46-L49 PolarHBondContact O-N 3.26Å; K47-L49 PolarHBondContact O-N 3.46Å; L49-L52 PolarHBondContact O-N 3.43Å; L49-V53 WeakPolarHBondContact O-CG2 3.36Å; L49-V53 PolarHBondContact O-N 3.39Å; L49-L94 HydrophobicContact CD2-CD1 4.3Å; L49-L94 HydrophobicContact CD2-CD2 4.39Å; L49-Y98 HydrophobicContact CD2-CE2 3.64Å |
| 50 | S | 96.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 177.6 | -160.2 | 0 | 0 | 0 | 0 | 112.3 | Y15 F24 N46 K47 L52 V53 V54 | Y15-S50 WeakPolarHBondContact CB-OG 3.32Å; Y15-S50 PolarHBondContact O-OG 2.99Å; F24-S50 VanDerWaalsContact CE2-CB 3.47Å; F24-S50 WeakPolarHBondContact CE2-OG 3.4Å; N46-S50 PolarHBondContact O-N 3.12Å; K47-S50 PolarHBondContact O-N 2.83Å; S50-L52 VanDerWaalsContact C-N 3.28Å; S50-L52 PolarHBondContact O-N 2.74Å; S50-V53 PolarHBondContact O-N 2.93Å; S50-V53 VanDerWaalsContact O-N 3.14Å; S50-V54 PolarHBondContact O-N 2.96Å |
| 51 | S | 95.7 | Very high | 94.3 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.5 | -35.5 | 174 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | K47 V54 Q55 | K47-S51 PolarHBondContact O-N 3.39Å; K47-S51 PolarHBondContact O-OG 2.96Å; K47-S51 VanDerWaalsContact O-OG 3.13Å; S51-V54 PolarHBondContact O-N 3.49Å; S51-Q55 VanDerWaalsContact O-CG 3.29Å; S51-Q55 WeakPolarHBondContact O-CG 3.4Å; S51-Q55 PolarHBondContact O-N 2.9Å |
| 52 | L | 96.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69 | -38.4 | 174.5 | -179.5 | 57.1 | 0 | 0 | 0 | 112.1 | S48 L49 S50 Q55 L56 L94 Y98 Y109 F111 | S48-L52 WeakPolarHBondContact O-CB 3.38Å; S48-L52 PolarHBondContact O-N 2.96Å; L49-L52 PolarHBondContact O-N 3.43Å; S50-L52 VanDerWaalsContact C-N 3.28Å; S50-L52 PolarHBondContact O-N 2.74Å; L52-Q55 PolarHBondContact O-N 3.45Å; L52-L56 HydrophobicContact CD1-CD1 4.32Å; L52-L56 HydrophobicContact CD1-CG 4.22Å; L52-L56 HydrophobicContact CG-CD1 4.08Å; L52-L56 HydrophobicContact CG-CG 4.46Å; L52-L56 WeakPolarHBondContact O-CB 3.35Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 3.44Å; L52-L94 HydrophobicContact CB-CD2 4.44Å; L52-L94 HydrophobicContact CD2-CD2 3.73Å; L52-L94 HydrophobicContact CG-CD2 4.04Å; L52-Y98 HydrophobicContact CD2-CD2 4.38Å; L52-Y98 HydrophobicContact CD2-CE2 3.7Å; L52-Y109 HydrophobicContact CD1-CD1 4.15Å; L52-Y109 HydrophobicContact CD1-CD2 3.58Å; L52-Y109 HydrophobicContact CD1-CE1 4.26Å; L52-Y109 HydrophobicContact CD1-CE2 3.71Å; L52-Y109 HydrophobicContact CD1-CG 3.82Å; L52-Y109 HydrophobicContact CD2-CD2 4.24Å; L52-Y109 HydrophobicContact CD2-CE2 3.53Å; L52-Y109 HydrophobicContact CG-CE2 4.27Å; L52-F111 HydrophobicContact CD1-CE2 4.11Å; L52-F111 HydrophobicContact CD1-CZ 4.25Å |
| 53 | V | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 173.1 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | Y15 F24 L49 S50 Q55 L56 L57 F81 L90 L94 | Y15-V53 HydrophobicContact CD1-CG1 4.08Å; Y15-V53 HydrophobicContact CE1-CB 4.46Å; Y15-V53 HydrophobicContact CE1-CG1 3.53Å; Y15-V53 HydrophobicContact CE2-CG1 4.36Å; F24-V53 HydrophobicContact CE1-CG2 3.82Å; F24-V53 HydrophobicContact CZ-CB 4.33Å; F24-V53 HydrophobicContact CZ-CG2 3.89Å; L49-V53 WeakPolarHBondContact O-CG2 3.36Å; L49-V53 PolarHBondContact O-N 3.39Å; S50-V53 PolarHBondContact O-N 2.93Å; S50-V53 VanDerWaalsContact O-N 3.14Å; V53-Q55 PolarHBondContact O-N 3.34Å; V53-L56 PolarHBondContact O-N 3.35Å; V53-L57 HydrophobicContact CG1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CG 4.41Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 3.42Å; V53-F81 HydrophobicContact CG1-CB 4.4Å; V53-F81 HydrophobicContact CG1-CD1 4.04Å; V53-L90 HydrophobicContact CG2-CD1 3.63Å; V53-L94 HydrophobicContact CG2-CD1 4.3Å; V53-L94 HydrophobicContact CG2-CD2 4.22Å |
| 54 | V | 96.7 | Very high | 95.4 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 175 | 173.6 | 0 | 0 | 0 | 0 | 111 | P10 V12 Y15 S50 S51 L57 Q58 | P10-V54 HydrophobicContact CB-CG1 4.24Å; P10-V54 HydrophobicContact CG-CG1 4.1Å; V12-V54 HydrophobicContact CG1-CG1 4.48Å; V12-V54 HydrophobicContact CG2-CG1 3.99Å; Y15-V54 VanDerWaalsContact CB-CG2 3.44Å; Y15-V54 HydrophobicContact CD2-CG2 3.86Å; Y15-V54 HydrophobicContact CG-CG2 3.79Å; S50-V54 PolarHBondContact O-N 2.96Å; S51-V54 PolarHBondContact O-N 3.49Å; V54-L57 PolarHBondContact O-N 2.92Å; V54-Q58 WeakPolarHBondContact O-CB 3.24Å; V54-Q58 PolarHBondContact O-N 3.28Å |
| 55 | Q | 96.2 | Very high | 95.4 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 41% | 0.411 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 178 | -72.9 | 171.8 | 18.4 | 0 | 0 | 113.1 | S51 L52 V53 Q58 F59 F111 | S51-Q55 VanDerWaalsContact O-CG 3.29Å; S51-Q55 WeakPolarHBondContact O-CG 3.4Å; S51-Q55 PolarHBondContact O-N 2.9Å; L52-Q55 PolarHBondContact O-N 3.45Å; V53-Q55 PolarHBondContact O-N 3.34Å; Q55-Q58 PolarHBondContact O-N 2.93Å; Q55-F59 WeakPolarHBondContact O-CB 3.42Å; Q55-F59 PolarHBondContact O-N 3Å; Q55-F111 HydrophobicContact CB-CD2 3.74Å; Q55-F111 HydrophobicContact CB-CE2 3.66Å; Q55-F111 HydrophobicContact CG-CD2 4.45Å |
| 56 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 175.7 | -73.8 | 167 | 0 | 0 | 0 | 111.4 | L52 V53 Q60 F81 I93 F111 M123 F124 I127 | L52-L56 HydrophobicContact CD1-CD1 4.32Å; L52-L56 HydrophobicContact CD1-CG 4.22Å; L52-L56 HydrophobicContact CG-CD1 4.08Å; L52-L56 HydrophobicContact CG-CG 4.46Å; L52-L56 WeakPolarHBondContact O-CB 3.35Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 3.44Å; V53-L56 PolarHBondContact O-N 3.35Å; L56-Q60 VanDerWaalsContact O-CB 3.31Å; L56-Q60 WeakPolarHBondContact O-CB 3.38Å; L56-Q60 PolarHBondContact O-N 3.05Å; L56-F81 HydrophobicContact CB-CE1 4.31Å; L56-I93 HydrophobicContact CD1-CG2 4.07Å; L56-F111 HydrophobicContact CD2-CE1 3.92Å; L56-F111 HydrophobicContact CD2-CZ 3.65Å; L56-F111 HydrophobicContact CG-CZ 4.15Å; L56-M123 HydrophobicContact CD2-CE 3.82Å; L56-F124 HydrophobicContact CB-CZ 4.06Å; L56-F124 HydrophobicContact CD2-CE2 3.63Å; L56-F124 HydrophobicContact CD2-CZ 3.66Å; L56-F124 HydrophobicContact CG-CZ 4.49Å; L56-F124 WeakPolarHBondContact O-CZ 3.41Å; L56-I127 HydrophobicContact CD2-CD1 4.37Å |
| 57 | L | 95.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -38.1 | 177.7 | -74.4 | 172.9 | 0 | 0 | 0 | 112.6 | P10 Y15 V53 V54 Q60 E61 I78 F81 | P10-L57 HydrophobicContact CB-CB 3.77Å; P10-L57 HydrophobicContact CB-CD1 4.11Å; P10-L57 HydrophobicContact CG-CB 4.04Å; Y15-L57 HydrophobicContact CE2-CD1 3.66Å; V53-L57 HydrophobicContact CG1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CG 4.41Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 3.42Å; V54-L57 PolarHBondContact O-N 2.92Å; L57-Q60 PolarHBondContact O-N 2.96Å; L57-E61 PolarHBondContact O-N 3.27Å; L57-E61 VanDerWaalsContact O-N 3.1Å; L57-I78 HydrophobicContact CD1-CD1 3.76Å; L57-I78 HydrophobicContact CD2-CD1 3.51Å; L57-I78 HydrophobicContact CG-CD1 4.31Å; L57-F81 HydrophobicContact CD1-CB 4.46Å; L57-F81 HydrophobicContact CD1-CD1 4.47Å; L57-F81 HydrophobicContact CD1-CG 4.42Å; L57-F81 HydrophobicContact CD2-CD1 4.02Å; L57-F81 HydrophobicContact CD2-CD2 3.64Å; L57-F81 HydrophobicContact CD2-CE1 4Å; L57-F81 HydrophobicContact CD2-CE2 3.61Å; L57-F81 HydrophobicContact CD2-CG 3.83Å; L57-F81 HydrophobicContact CD2-CZ 3.8Å; L57-F81 HydrophobicContact CG-CD1 4.08Å; L57-F81 HydrophobicContact CG-CE1 4.16Å; L57-F81 HydrophobicContact CG-CG 4.25Å; L57-F81 HydrophobicContact CG-CZ 4.42Å |
| 58 | Q | 95.1 | Very high | 94.6 | Very high | 76 Ų | 76 | 34.5 Ų | 34.5 | 36% | 0.355 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.8 | -50.2 | 175.7 | -172 | 63.4 | 30 | 0 | 0 | 111 | P10 V54 Q55 Q60 E61 E62 | P10-Q58 HydrophobicContact CG-CB 4.14Å; V54-Q58 WeakPolarHBondContact O-CB 3.24Å; V54-Q58 PolarHBondContact O-N 3.28Å; Q55-Q58 PolarHBondContact O-N 2.93Å; Q58-Q60 VanDerWaalsContact C-N 3.29Å; Q58-Q60 PolarHBondContact O-N 3.31Å; Q58-E61 PolarHBondContact O-N 3.48Å; Q58-E61 VanDerWaalsContact O-N 3.17Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.37Å; Q58-E62 PolarHBondContact NE2-OE1 3.35Å; Q58-E62 WeakPolarHBondContact O-CB 3.19Å; Q58-E62 WeakPolarHBondContact O-CG 3.47Å; Q58-E62 PolarHBondContact O-N 3.13Å |
| 59 | F | 95.5 | Very high | 94 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -38.8 | 175.9 | 179.6 | -92.1 | 0 | 0 | 0 | 112.2 | Q55 E61 E62 V63 F64 F111 M117 N120 V121 F124 | Q55-F59 WeakPolarHBondContact O-CB 3.42Å; Q55-F59 PolarHBondContact O-N 3Å; F59-E61 PolarHBondContact O-N 2.63Å; F59-E62 PolarHBondContact O-N 2.87Å; F59-V63 HydrophobicContact CD1-CG2 4.47Å; F59-V63 HydrophobicContact CD2-CG2 3.86Å; F59-V63 HydrophobicContact CE1-CB 4.36Å; F59-V63 HydrophobicContact CE1-CG2 4.27Å; F59-V63 HydrophobicContact CE2-CG2 3.64Å; F59-V63 HydrophobicContact CG-CG2 4.29Å; F59-V63 HydrophobicContact CZ-CB 4.29Å; F59-V63 HydrophobicContact CZ-CG1 4.38Å; F59-V63 HydrophobicContact CZ-CG2 3.84Å; F59-V63 WeakPolarHBondContact O-CB 3.36Å; F59-V63 WeakPolarHBondContact O-CG2 3.37Å; F59-V63 PolarHBondContact O-N 3.48Å; F59-F64 HydrophobicContact CE1-CE2 4.47Å; F59-F64 AromaticContact CE1-CZ 3.93Å; F59-F64 HydrophobicContact CE1-CZ 3.93Å; F59-F111 HydrophobicContact CB-CB 4.25Å; F59-F111 HydrophobicContact CB-CD1 3.8Å; F59-F111 HydrophobicContact CB-CE1 4.46Å; F59-F111 HydrophobicContact CB-CG 4.19Å; F59-F111 HydrophobicContact CD1-CD1 4.28Å; F59-F111 HydrophobicContact CD2-CB 3.86Å; F59-F111 AromaticContact CD2-CD1 3.72Å; F59-F111 HydrophobicContact CD2-CD1 3.72Å; F59-F111 HydrophobicContact CD2-CG 4.25Å; F59-F111 HydrophobicContact CE2-CD1 4.35Å; F59-F111 HydrophobicContact CG-CB 4.38Å; F59-F111 AromaticContact CG-CD1 3.66Å; F59-F111 HydrophobicContact CG-CD1 3.66Å; F59-F111 HydrophobicContact CG-CE1 4.4Å; F59-F111 HydrophobicContact CG-CG 4.37Å; F59-M117 HydrophobicContact CE2-CE 4.01Å; F59-M117 HydrophobicContact CE2-SD 3.56Å; F59-M117 VanDerWaalsContact CE2-SD 3.56Å; F59-M117 HydrophobicContact CZ-SD 3.62Å; F59-N120 HydrophobicContact CE1-CB 3.91Å; F59-N120 HydrophobicContact CE2-CB 3.73Å; F59-N120 HydrophobicContact CZ-CB 3.33Å; F59-V121 HydrophobicContact CZ-CG2 4.38Å; F59-F124 AromaticContact CD1-CD2 3.92Å; F59-F124 HydrophobicContact CD1-CD2 3.92Å; F59-F124 AromaticContact CD1-CE2 3.47Å; F59-F124 HydrophobicContact CD1-CE2 3.47Å; F59-F124 VanDerWaalsContact CD1-CE2 3.47Å; F59-F124 HydrophobicContact CD1-CZ 4.2Å; F59-F124 AromaticContact CE1-CD2 3.92Å; F59-F124 HydrophobicContact CE1-CD2 3.92Å; F59-F124 AromaticContact CE1-CE2 3.96Å; F59-F124 HydrophobicContact CE1-CE2 3.96Å; F59-F124 HydrophobicContact CG-CE2 4.48Å |
| 60 | Q | 95.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.6 | 169.8 | 164.1 | -80.1 | 0 | 0 | 112.3 | L56 L57 Q58 F64 G65 K75 L76 F124 | L56-Q60 VanDerWaalsContact O-CB 3.31Å; L56-Q60 WeakPolarHBondContact O-CB 3.38Å; L56-Q60 PolarHBondContact O-N 3.05Å; L57-Q60 PolarHBondContact O-N 2.96Å; Q58-Q60 VanDerWaalsContact C-N 3.29Å; Q58-Q60 PolarHBondContact O-N 3.31Å; Q60-F64 HydrophobicContact CB-CD2 4.3Å; Q60-F64 HydrophobicContact CG-CD2 4.05Å; Q60-F64 CarbonylContact O-C 3.36Å; Q60-F64 VanDerWaalsContact O-CA 3.24Å; Q60-F64 WeakPolarHBondContact O-CA 3.47Å; Q60-F64 VanDerWaalsContact O-CB 3.25Å; Q60-F64 WeakPolarHBondContact O-CB 3.48Å; Q60-F64 PolarHBondContact O-N 3.32Å; Q60-G65 PolarHBondContact O-N 3.04Å; Q60-K75 HydrophobicContact CG-CB 4.11Å; Q60-K75 HydrophobicContact CG-CD 4.43Å; Q60-K75 HydrophobicContact CG-CG 3.81Å; Q60-L76 PolarHBondContact NE2-O 3.48Å; Q60-F124 HydrophobicContact CB-CE1 4.19Å; Q60-F124 HydrophobicContact CB-CZ 4.29Å |
| 61 | E | 94.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 46 Ų | 46 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -77.2 | -36.7 | 177 | -169.6 | 64.2 | -168 | 0 | 0 | 112.1 | D7 G8 L57 Q58 F59 V63 G65 K75 | D7-E61 HydrophobicContact CB-CG 4.13Å; G8-E61 WeakPolarHBondContact CA-OE2 3.41Å; G8-E61 PolarHBondContact N-OE1 3.49Å; L57-E61 PolarHBondContact O-N 3.27Å; L57-E61 VanDerWaalsContact O-N 3.1Å; Q58-E61 PolarHBondContact O-N 3.48Å; Q58-E61 VanDerWaalsContact O-N 3.17Å; F59-E61 PolarHBondContact O-N 2.63Å; E61-V63 PolarHBondContact O-N 2.96Å; E61-G65 WeakPolarHBondContact O-CA 3.46Å; E61-G65 PolarHBondContact O-N 3.26Å; E61-K75 VanDerWaalsContact OE2-CE 3.24Å; E61-K75 WeakPolarHBondContact OE2-CE 3.44Å; E61-K75 IonicContact OE2-NZ 3.32Å; E61-K75 PolarHBondContact OE2-NZ 3.01Å |
| 62 | E | 93.7 | Very high | 93.1 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.1 | -32.4 | 178.3 | -74.3 | 174.2 | -174.9 | 0 | 0 | 113.6 | Q58 F59 V68 | Q58-E62 WeakPolarHBondContact CG-OE1 3.37Å; Q58-E62 PolarHBondContact NE2-OE1 3.35Å; Q58-E62 WeakPolarHBondContact O-CB 3.19Å; Q58-E62 WeakPolarHBondContact O-CG 3.47Å; Q58-E62 PolarHBondContact O-N 3.13Å; F59-E62 PolarHBondContact O-N 2.87Å; E62-V68 VanDerWaalsContact O-CG2 3.28Å; E62-V68 WeakPolarHBondContact O-CG2 3.25Å |
| 63 | V | 94.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -112 | -26.3 | -173.3 | -171 | 0 | 0 | 0 | 0 | 112.9 | F59 E61 V68 M117 V121 | F59-V63 HydrophobicContact CD1-CG2 4.47Å; F59-V63 HydrophobicContact CD2-CG2 3.86Å; F59-V63 HydrophobicContact CE1-CB 4.36Å; F59-V63 HydrophobicContact CE1-CG2 4.27Å; F59-V63 HydrophobicContact CE2-CG2 3.64Å; F59-V63 HydrophobicContact CG-CG2 4.29Å; F59-V63 HydrophobicContact CZ-CB 4.29Å; F59-V63 HydrophobicContact CZ-CG1 4.38Å; F59-V63 HydrophobicContact CZ-CG2 3.84Å; F59-V63 WeakPolarHBondContact O-CB 3.36Å; F59-V63 WeakPolarHBondContact O-CG2 3.37Å; F59-V63 PolarHBondContact O-N 3.48Å; E61-V63 PolarHBondContact O-N 2.96Å; V63-V68 WeakPolarHBondContact O-CG1 3.34Å; V63-M117 HydrophobicContact CG1-SD 3.87Å; V63-M117 HydrophobicContact CG2-CE 3.88Å; V63-M117 HydrophobicContact CG2-SD 3.78Å; V63-V121 HydrophobicContact CG1-CG2 4.43Å |
| 64 | F | 94.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -119.8 | 2.1 | 177.9 | -38.4 | -38.8 | 0 | 0 | 0 | 113.5 | F59 Q60 P72 L73 K75 V121 F124 N249 | F59-F64 HydrophobicContact CE1-CE2 4.47Å; F59-F64 AromaticContact CE1-CZ 3.93Å; F59-F64 HydrophobicContact CE1-CZ 3.93Å; Q60-F64 HydrophobicContact CB-CD2 4.3Å; Q60-F64 HydrophobicContact CG-CD2 4.05Å; Q60-F64 CarbonylContact O-C 3.36Å; Q60-F64 VanDerWaalsContact O-CA 3.24Å; Q60-F64 WeakPolarHBondContact O-CA 3.47Å; Q60-F64 VanDerWaalsContact O-CB 3.25Å; Q60-F64 WeakPolarHBondContact O-CB 3.48Å; Q60-F64 PolarHBondContact O-N 3.32Å; F64-P72 HydrophobicContact CD1-CG 3.98Å; F64-P72 HydrophobicContact CE1-CG 3.74Å; F64-L73 HydrophobicContact CD1-CB 4.17Å; F64-L73 HydrophobicContact CD2-CB 4.31Å; F64-L73 HydrophobicContact CE1-CB 4.17Å; F64-L73 HydrophobicContact CE1-CD1 4.34Å; F64-L73 HydrophobicContact CE1-CG 4.46Å; F64-L73 HydrophobicContact CE2-CB 4.29Å; F64-L73 HydrophobicContact CE2-CD1 4.14Å; F64-L73 HydrophobicContact CG-CB 4.3Å; F64-L73 HydrophobicContact CZ-CB 4.24Å; F64-L73 HydrophobicContact CZ-CD1 3.83Å; F64-L73 HydrophobicContact CZ-CG 4.41Å; F64-K75 HydrophobicContact CB-CG 3.99Å; F64-V121 HydrophobicContact CE1-CG1 4.48Å; F64-V121 HydrophobicContact CE1-CG2 4.04Å; F64-V121 HydrophobicContact CZ-CG2 4.26Å; F64-F124 HydrophobicContact CE2-CB 3.94Å; F64-F124 AromaticContact CE2-CD1 3.76Å; F64-F124 HydrophobicContact CE2-CD1 3.76Å; F64-F124 HydrophobicContact CE2-CD2 4.18Å; F64-F124 HydrophobicContact CE2-CE1 4.29Å; F64-F124 AromaticContact CE2-CG 3.69Å; F64-F124 HydrophobicContact CE2-CG 3.69Å; F64-F124 HydrophobicContact CZ-CB 4.07Å; F64-F124 HydrophobicContact CZ-CD2 4.41Å; F64-F124 HydrophobicContact CZ-CG 4.13Å; F64-N249 PolarHBondContact O-ND2 3.47Å |
| 65 | G | 91.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -72 | 171.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q60 E61 H67 V68 | Q60-G65 PolarHBondContact O-N 3.04Å; E61-G65 WeakPolarHBondContact O-CA 3.46Å; E61-G65 PolarHBondContact O-N 3.26Å; G65-H67 PolarHBondContact O-N 3.43Å; G65-V68 PolarHBondContact O-N 2.83Å |
| 66 | K | 91.1 | Very high | 92.5 | Very high | 78 Ų | 78 | 44.1 Ų | 44.1 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -27.7 | -177.6 | 173.3 | 160.1 | -168.3 | 168.7 | 0 | 115.2 | T247 F248 | K66-T247 WeakPolarHBondContact CD-O 3.44Å; K66-T247 WeakPolarHBondContact CE-O 3.44Å; K66-T247 WeakPolarHBondContact CG-O 3.42Å; K66-F248 HydrophobicContact CD-CD1 3.59Å; K66-F248 HydrophobicContact CD-CE1 3.78Å; K66-F248 HydrophobicContact CD-CG 4.37Å; K66-F248 VanDerWaalsContact NZ-CZ 3.32Å |
| 67 | H | 89.1 | Confident | 92.3 | Very high | 151 Ų | 151 | 44.5 Ų | 44.5 | 70% | 0.699 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6.3 | -176.8 | -62.6 | -70.2 | 0 | 0 | 0 | 113.8 | G65 | G65-H67 PolarHBondContact O-N 3.43Š|
| 68 | V | 90.5 | Very high | 92 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | trans | -90.8 | 118.1 | -177.8 | -172.3 | 0 | 0 | 0 | 0 | 111 | E62 V63 G65 A71 | E62-V68 VanDerWaalsContact O-CG2 3.28Å; E62-V68 WeakPolarHBondContact O-CG2 3.25Å; V63-V68 WeakPolarHBondContact O-CG1 3.34Å; G65-V68 PolarHBondContact O-N 2.83Å; V68-A71 HydrophobicContact CB-CB 4.49Å; V68-A71 HydrophobicContact CG1-CB 4.48Å | ||
| 69 | S | 83.4 | Confident | 91.7 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 72% | 0.72 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | 125.4 | 172.5 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 70 | N | 86.4 | Confident | 91.6 | Very high | 158 Ų | 158 | 46 Ų | 46 | 85% | 0.845 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 46.9 | -176.2 | -43.9 | -73.1 | 0 | 0 | 0 | 114 | ||
| 71 | A | 91.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 22% | 0.223 | 25% | 0.248 | C | C | . | . | trans | -47.5 | 128.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V68 L73 N249 | V68-A71 HydrophobicContact CB-CB 4.49Å; V68-A71 HydrophobicContact CG1-CB 4.48Å; A71-L73 VanDerWaalsContact C-N 3.29Å; A71-L73 PolarHBondContact O-N 3.24Å; A71-N249 VanDerWaalsContact CB-ND2 3.33Å; A71-N249 WeakPolarHBondContact CB-ND2 3.23Å | ||
| 72 | P | 90.1 | Very high | 91.4 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 47% | 0.474 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -75.6 | -14.5 | -173.2 | 30.1 | -37.9 | 0 | 0 | 0 | 114.2 | F64 V121 | F64-P72 HydrophobicContact CD1-CG 3.98Å; F64-P72 HydrophobicContact CE1-CG 3.74Å; P72-V121 HydrophobicContact CB-CG1 4.25Å; P72-V121 HydrophobicContact CG-CG1 4.09Å; P72-V121 HydrophobicContact CG-CG2 4.22Å |
| 73 | L | 93.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -139.7 | 158.3 | 176.7 | -67.8 | 176.8 | 0 | 0 | 0 | 110.1 | F64 A71 V121 F124 M125 N249 | F64-L73 HydrophobicContact CD1-CB 4.17Å; F64-L73 HydrophobicContact CD2-CB 4.31Å; F64-L73 HydrophobicContact CE1-CB 4.17Å; F64-L73 HydrophobicContact CE1-CD1 4.34Å; F64-L73 HydrophobicContact CE1-CG 4.46Å; F64-L73 HydrophobicContact CE2-CB 4.29Å; F64-L73 HydrophobicContact CE2-CD1 4.14Å; F64-L73 HydrophobicContact CG-CB 4.3Å; F64-L73 HydrophobicContact CZ-CB 4.24Å; F64-L73 HydrophobicContact CZ-CD1 3.83Å; F64-L73 HydrophobicContact CZ-CG 4.41Å; A71-L73 VanDerWaalsContact C-N 3.29Å; A71-L73 PolarHBondContact O-N 3.24Å; L73-V121 HydrophobicContact CD1-CG1 3.92Å; L73-V121 HydrophobicContact CG-CG1 4.16Å; L73-F124 HydrophobicContact CD1-CB 3.61Å; L73-M125 HydrophobicContact CD1-CG 3.99Å; L73-M125 HydrophobicContact CD2-CE 3.86Å; L73-M125 HydrophobicContact CD2-CG 3.78Å; L73-M125 HydrophobicContact CG-CG 4.43Å; L73-N249 PolarHBondContact O-ND2 2.9Å |
| 74 | T | 93.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 142.7 | 164.4 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | H163 N249 | T74-H163 HydrophobicContact CG2-CB 4.27Å; T74-H163 WeakPolarHBondContact OG1-CA 3.37Å; T74-H163 PolarHBondContact OG1-ND1 2.75Å; T74-N249 WeakPolarHBondContact CA-OD1 3.45Å; T74-N249 WeakPolarHBondContact CG2-O 3.47Å |
| 75 | K | 94.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.022 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 139.6 | 176.1 | -66.8 | 178.7 | 61.6 | -171.3 | 0 | 111.1 | Q60 E61 F64 S211 N249 E250 | Q60-K75 HydrophobicContact CG-CB 4.11Å; Q60-K75 HydrophobicContact CG-CD 4.43Å; Q60-K75 HydrophobicContact CG-CG 3.81Å; E61-K75 VanDerWaalsContact OE2-CE 3.24Å; E61-K75 WeakPolarHBondContact OE2-CE 3.44Å; E61-K75 IonicContact OE2-NZ 3.32Å; E61-K75 PolarHBondContact OE2-NZ 3.01Å; F64-K75 HydrophobicContact CB-CG 3.99Å; K75-S211 PolarHBondContact NZ-OG 3.37Å; K75-S211 VanDerWaalsContact NZ-OG 3.11Å; K75-N249 WeakPolarHBondContact CB-O 3.49Å; K75-N249 WeakPolarHBondContact CG-O 3.25Å; K75-N249 PolarHBondContact N-O 3.48Å; K75-E250 HydrophobicContact CB-CB 4Å; K75-E250 HydrophobicContact CB-CG 4.07Å; K75-E250 HydrophobicContact CD-CB 4.23Å; K75-E250 WeakPolarHBondContact CE-OE2 3.25Å; K75-E250 IonicContact NZ-OE2 2.71Å; K75-E250 PolarHBondContact NZ-OE2 2.92Å |
| 76 | L | 93.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 125.8 | 165.5 | -60.7 | 174.3 | 0 | 0 | 0 | 108.5 | Q60 F81 F124 I127 E128 L131 L137 | Q60-L76 PolarHBondContact NE2-O 3.48Å; L76-F81 HydrophobicContact CB-CE2 3.88Å; L76-F81 HydrophobicContact CB-CZ 4.34Å; L76-F81 HydrophobicContact CD1-CZ 4.28Å; L76-F124 HydrophobicContact CD1-CD1 3.96Å; L76-F124 HydrophobicContact CD1-CE1 4.13Å; L76-I127 HydrophobicContact CD1-CB 4.47Å; L76-I127 HydrophobicContact CD1-CG2 3.51Å; L76-E128 HydrophobicContact CD2-CB 4.05Å; L76-E128 HydrophobicContact CD2-CG 3.8Å; L76-L131 HydrophobicContact CD1-CD1 4.18Å; L76-L131 HydrophobicContact CD2-CD1 3.94Å; L76-L137 HydrophobicContact CD2-CD2 4.04Å |
| 77 | P | 91.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 139.1 | -178.5 | -28.8 | 36.5 | 0 | 0 | 0 | 112.9 | K79 C80 L137 E250 | P77-K79 HydrophobicContact CB-CD 4.49Å; P77-K79 HydrophobicContact CB-CG 3.84Å; P77-K79 PolarHBondContact O-N 2.83Å; P77-C80 WeakPolarHBondContact O-CB 3.46Å; P77-C80 PolarHBondContact O-N 2.94Å; P77-L137 HydrophobicContact CG-CD1 4.33Å; P77-E250 WeakPolarHBondContact CA-OE1 3.37Å |
| 78 | I | 90.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -55.9 | -30.5 | -176.9 | -163 | 60.7 | 0 | 0 | 0 | 113.1 | L57 C80 F81 L82 D210 E250 | L57-I78 HydrophobicContact CD1-CD1 3.76Å; L57-I78 HydrophobicContact CD2-CD1 3.51Å; L57-I78 HydrophobicContact CG-CD1 4.31Å; I78-C80 PolarHBondContact O-N 3.4Å; I78-C80 VanDerWaalsContact O-N 3.13Å; I78-F81 HydrophobicContact CD1-CB 4.48Å; I78-F81 HydrophobicContact CD1-CD2 4.5Å; I78-F81 WeakPolarHBondContact O-CB 3.48Å; I78-F81 PolarHBondContact O-N 3.18Å; I78-L82 HydrophobicContact CG1-CD1 4.42Å; I78-L82 PolarHBondContact O-N 2.87Å; I78-D210 HydrophobicContact CG2-CB 3.42Å; I78-D210 VanDerWaalsContact CG2-CB 3.42Å; I78-E250 PolarHBondContact N-OE1 2.87Å |
| 79 | K | 88.8 | Confident | 91.5 | Very high | 89 Ų | 89 | 42.5 Ų | 42.5 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -55.3 | -28.1 | 175.4 | 56.2 | -167.4 | 172.7 | -157.9 | 0 | 113.4 | P77 F81 L82 D210 E254 | P77-K79 HydrophobicContact CB-CD 4.49Å; P77-K79 HydrophobicContact CB-CG 3.84Å; P77-K79 PolarHBondContact O-N 2.83Å; K79-F81 VanDerWaalsContact C-N 3.27Å; K79-F81 PolarHBondContact O-N 3.4Å; K79-L82 PolarHBondContact O-N 3.16Å; K79-D210 IonicContact NZ-OD2 2.67Å; K79-E254 IonicContact NZ-OE2 2.68Å |
| 80 | C | 92.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -71.3 | -17.4 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 114 | P77 I78 S89 L90 I93 | P77-C80 WeakPolarHBondContact O-CB 3.46Å; P77-C80 PolarHBondContact O-N 2.94Å; I78-C80 PolarHBondContact O-N 3.4Å; I78-C80 VanDerWaalsContact O-N 3.13Å; C80-S89 WeakPolarHBondContact CA-OG 3.4Å; C80-S89 CarbonylContact O-C 3.56Å; C80-S89 PolarHBondContact O-OG 2.94Å; C80-L90 WeakPolarHBondContact O-CA 3.13Å; C80-L90 PolarHBondContact O-N 3.46Å; C80-L90 VanDerWaalsContact O-N 3.15Å; C80-I93 HydrophobicContact CB-CD1 4.08Å; C80-I93 WeakPolarHBondContact O-CD1 3.3Å |
| 81 | F | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -98.7 | -7.1 | 176.8 | -62.6 | -96.1 | 0 | 0 | 0 | 113.3 | V53 L56 L57 L76 I78 K79 I93 | V53-F81 HydrophobicContact CG1-CB 4.4Å; V53-F81 HydrophobicContact CG1-CD1 4.04Å; L56-F81 HydrophobicContact CB-CE1 4.31Å; L57-F81 HydrophobicContact CD1-CB 4.46Å; L57-F81 HydrophobicContact CD1-CD1 4.47Å; L57-F81 HydrophobicContact CD1-CG 4.42Å; L57-F81 HydrophobicContact CD2-CD1 4.02Å; L57-F81 HydrophobicContact CD2-CD2 3.64Å; L57-F81 HydrophobicContact CD2-CE1 4Å; L57-F81 HydrophobicContact CD2-CE2 3.61Å; L57-F81 HydrophobicContact CD2-CG 3.83Å; L57-F81 HydrophobicContact CD2-CZ 3.8Å; L57-F81 HydrophobicContact CG-CD1 4.08Å; L57-F81 HydrophobicContact CG-CE1 4.16Å; L57-F81 HydrophobicContact CG-CG 4.25Å; L57-F81 HydrophobicContact CG-CZ 4.42Å; L76-F81 HydrophobicContact CB-CE2 3.88Å; L76-F81 HydrophobicContact CB-CZ 4.34Å; L76-F81 HydrophobicContact CD1-CZ 4.28Å; I78-F81 HydrophobicContact CD1-CB 4.48Å; I78-F81 HydrophobicContact CD1-CD2 4.5Å; I78-F81 WeakPolarHBondContact O-CB 3.48Å; I78-F81 PolarHBondContact O-N 3.18Å; K79-F81 VanDerWaalsContact C-N 3.27Å; K79-F81 PolarHBondContact O-N 3.4Å; F81-I93 HydrophobicContact CD1-CD1 3.87Å; F81-I93 HydrophobicContact CD2-CD1 4.24Å; F81-I93 HydrophobicContact CE1-CD1 3.86Å; F81-I93 HydrophobicContact CE1-CG2 4.06Å; F81-I93 HydrophobicContact CE2-CD1 4.22Å; F81-I93 HydrophobicContact CG-CD1 4.09Å; F81-I93 HydrophobicContact CZ-CD1 4.04Å |
| 82 | L | 90.6 | Very high | 92.8 | Very high | 45 Ų | 45 | 29.5 Ų | 29.5 | 24% | 0.236 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -103.7 | 1.2 | -179.1 | -62.2 | 175.5 | 0 | 0 | 0 | 113.4 | Y14 I78 K79 F84 | Y14-L82 HydrophobicContact CE1-CD2 3.8Å; I78-L82 HydrophobicContact CG1-CD1 4.42Å; I78-L82 PolarHBondContact O-N 2.87Å; K79-L82 PolarHBondContact O-N 3.16Å; L82-F84 WeakPolarHBondContact O-CD2 3.17Å; L82-F84 WeakPolarHBondContact O-CE2 3.34Å; L82-F84 PolarHBondContact O-N 3.01Å |
| 83 | D | 92.4 | Very high | 93.1 | Very high | 39 Ų | 39 | 26 Ų | 26 | 21% | 0.209 | 15% | 0.145 | C | C | . | . | trans | -91.7 | 78.4 | -178.6 | -176.6 | 22.9 | 0 | 0 | 0 | 111.9 | K85 G88 S89 L90 | D83-K85 PolarHBondContact O-N 3.45Å; D83-K85 WeakPolarHBondContact OD1-CB 3.23Å; D83-K85 VanDerWaalsContact OD1-CD 3.31Å; D83-K85 WeakPolarHBondContact OD1-CD 3.42Å; D83-K85 WeakPolarHBondContact OD1-CG 3.48Å; D83-G88 WeakPolarHBondContact OD2-CA 3.33Å; D83-S89 WeakPolarHBondContact CB-OG 3.42Å; D83-S89 PolarHBondContact OD2-N 3.36Å; D83-S89 PolarHBondContact OD2-OG 3.27Å; D83-S89 VanDerWaalsContact OD2-OG 3.14Å; D83-L90 WeakPolarHBondContact O-CB 3.34Å | ||
| 84 | F | 93.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | trans | -71.3 | 10.3 | -178.9 | -59.9 | -83 | 0 | 0 | 0 | 114.9 | T20 Q23 F24 N26 V27 L82 L90 | T20-F84 HydrophobicContact CG2-CZ 4.13Å; Q23-F84 HydrophobicContact CB-CB 4.05Å; Q23-F84 HydrophobicContact CB-CD1 3.78Å; Q23-F84 HydrophobicContact CB-CD2 4.21Å; Q23-F84 HydrophobicContact CB-CE1 4.29Å; Q23-F84 HydrophobicContact CB-CG 3.74Å; F24-F84 HydrophobicContact CD1-CE1 4.47Å; F24-F84 AromaticContact CD2-CE1 3.99Å; F24-F84 HydrophobicContact CD2-CE1 3.99Å; F24-F84 HydrophobicContact CE1-CE1 4.19Å; F24-F84 AromaticContact CE2-CE1 3.66Å; F24-F84 HydrophobicContact CE2-CE1 3.66Å; F24-F84 HydrophobicContact CE2-CZ 4.43Å; F24-F84 HydrophobicContact CG-CE1 4.4Å; F24-F84 AromaticContact CZ-CE1 3.77Å; F24-F84 HydrophobicContact CZ-CE1 3.77Å; N26-F84 WeakPolarHBondContact CB-O 3.32Å; V27-F84 HydrophobicContact CG2-CD1 4.4Å; L82-F84 WeakPolarHBondContact O-CD2 3.17Å; L82-F84 WeakPolarHBondContact O-CE2 3.34Å; L82-F84 PolarHBondContact O-N 3.01Å; F84-L90 HydrophobicContact CD1-CD2 3.52Å; F84-L90 HydrophobicContact CE1-CD2 3.56Å; F84-L90 HydrophobicContact CG-CD2 4.27Å; F84-L90 HydrophobicContact CZ-CD2 4.34Å | ||
| 85 | K | 92.9 | Very high | 93.4 | Very high | 152 Ų | 152 | 24.1 Ų | 24.1 | 66% | 0.661 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -68.6 | 148.3 | 178.5 | -64.5 | 174.4 | -169.4 | 163.6 | 0 | 110.8 | D83 G87 G88 C91 | D83-K85 PolarHBondContact O-N 3.45Å; D83-K85 WeakPolarHBondContact OD1-CB 3.23Å; D83-K85 VanDerWaalsContact OD1-CD 3.31Å; D83-K85 WeakPolarHBondContact OD1-CD 3.42Å; D83-K85 WeakPolarHBondContact OD1-CG 3.48Å; K85-G87 PolarHBondContact O-N 2.93Å; K85-G88 PolarHBondContact O-N 3.2Å; K85-C91 PolarHBondContact O-SG 3.46Å |
| 86 | A | 90.1 | Very high | 93.5 | Very high | 68 Ų | 68 | 24.1 Ų | 24.1 | 56% | 0.562 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 114.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | W30 G88 | W30-A86 HydrophobicContact CB-CB 4.37Å; A86-G88 VanDerWaalsContact C-N 3.32Å |
| 87 | G | 90 | Very high | 93.7 | Very high | 26 Ų | 26 | 23.9 Ų | 23.9 | 27% | 0.268 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 8.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | W30 K85 C91 H92 | W30-G87 VanDerWaalsContact CD1-N 3.26Å; K85-G87 PolarHBondContact O-N 2.93Å; G87-C91 PolarHBondContact N-SG 3.42Å; G87-H92 PolarHBondContact O-CD2 2.8Å |
| 88 | G | 93.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 6% | 0.062 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -69.5 | 171.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D83 K85 A86 L90 C91 H92 | D83-G88 WeakPolarHBondContact OD2-CA 3.33Å; K85-G88 PolarHBondContact O-N 3.2Å; A86-G88 VanDerWaalsContact C-N 3.32Å; G88-L90 VanDerWaalsContact C-N 3.28Å; G88-L90 PolarHBondContact O-N 3.26Å; G88-C91 WeakPolarHBondContact O-CA 3.34Å; G88-C91 WeakPolarHBondContact O-CB 3.4Å; G88-C91 PolarHBondContact O-N 3.09Å; G88-H92 PolarHBondContact O-CD2 2.94Å; G88-H92 PolarHBondContact O-N 2.85Å |
| 89 | S | 94.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53.1 | -41.3 | -177.3 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | C80 D83 C91 H92 I93 L131 | C80-S89 WeakPolarHBondContact CA-OG 3.4Å; C80-S89 CarbonylContact O-C 3.56Å; C80-S89 PolarHBondContact O-OG 2.94Å; D83-S89 WeakPolarHBondContact CB-OG 3.42Å; D83-S89 PolarHBondContact OD2-N 3.36Å; D83-S89 PolarHBondContact OD2-OG 3.27Å; D83-S89 VanDerWaalsContact OD2-OG 3.14Å; S89-C91 VanDerWaalsContact C-N 3.31Å; S89-C91 PolarHBondContact O-N 2.87Å; S89-H92 PolarHBondContact O-N 2.64Å; S89-H92 VanDerWaalsContact O-N 3.09Å; S89-I93 WeakPolarHBondContact O-CG1 3.46Å; S89-I93 PolarHBondContact O-N 2.97Å; S89-L131 WeakPolarHBondContact O-CD2 3.37Å |
| 90 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 175.6 | 177.3 | 60.5 | 0 | 0 | 0 | 113.1 | F24 V27 V53 C80 D83 F84 G88 H92 I93 L94 | F24-L90 HydrophobicContact CE1-CD2 3.94Å; F24-L90 HydrophobicContact CZ-CD2 4.42Å; V27-L90 HydrophobicContact CG2-CD2 4.04Å; V27-L90 HydrophobicContact CG2-CG 4.42Å; V53-L90 HydrophobicContact CG2-CD1 3.63Å; C80-L90 WeakPolarHBondContact O-CA 3.13Å; C80-L90 PolarHBondContact O-N 3.46Å; C80-L90 VanDerWaalsContact O-N 3.15Å; D83-L90 WeakPolarHBondContact O-CB 3.34Å; F84-L90 HydrophobicContact CD1-CD2 3.52Å; F84-L90 HydrophobicContact CE1-CD2 3.56Å; F84-L90 HydrophobicContact CG-CD2 4.27Å; F84-L90 HydrophobicContact CZ-CD2 4.34Å; G88-L90 VanDerWaalsContact C-N 3.28Å; G88-L90 PolarHBondContact O-N 3.26Å; L90-H92 VanDerWaalsContact C-N 3.33Å; L90-H92 PolarHBondContact O-N 2.6Å; L90-I93 PolarHBondContact O-N 2.65Å; L90-L94 HydrophobicContact CD1-CD1 3.74Å; L90-L94 HydrophobicContact CD1-CG 4.18Å; L90-L94 HydrophobicContact CG-CD1 4Å; L90-L94 PolarHBondContact O-N 3.06Å; L90-L94 VanDerWaalsContact O-N 3.1Å |
| 91 | C | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.3 | -70.3 | 0 | 0 | 0 | 0 | 111.2 | W30 K85 G87 G88 S89 A95 | W30-C91 HydrophobicContact CD2-CB 3.92Å; W30-C91 HydrophobicContact CE3-CB 3.55Å; W30-C91 HydrophobicContact CH2-CB 4.13Å; W30-C91 HydrophobicContact CZ2-CB 4.49Å; W30-C91 HydrophobicContact CZ3-CB 3.66Å; K85-C91 PolarHBondContact O-SG 3.46Å; G87-C91 PolarHBondContact N-SG 3.42Å; G88-C91 WeakPolarHBondContact O-CA 3.34Å; G88-C91 WeakPolarHBondContact O-CB 3.4Å; G88-C91 PolarHBondContact O-N 3.09Å; S89-C91 VanDerWaalsContact C-N 3.31Å; S89-C91 PolarHBondContact O-N 2.87Å; C91-A95 WeakPolarHBondContact O-CB 3.3Å; C91-A95 PolarHBondContact O-N 3.17Å |
| 92 | H | 96.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 7% | 0.065 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.3 | -32.6 | 179.4 | -74 | -83.3 | 0 | 0 | 0 | 113.3 | W30 G87 G88 S89 L90 A96 L131 N134 | W30-H92 AromaticContact CH2-CE1 3.77Å; W30-H92 AromaticContact CH2-NE2 3.84Å; W30-H92 AromaticContact CZ2-CE1 3.91Å; W30-H92 AromaticContact CZ2-NE2 3.73Å; G87-H92 PolarHBondContact O-CD2 2.8Å; G88-H92 PolarHBondContact O-CD2 2.94Å; G88-H92 PolarHBondContact O-N 2.85Å; S89-H92 PolarHBondContact O-N 2.64Å; S89-H92 VanDerWaalsContact O-N 3.09Å; L90-H92 VanDerWaalsContact C-N 3.33Å; L90-H92 PolarHBondContact O-N 2.6Å; H92-A96 WeakPolarHBondContact O-CB 3.47Å; H92-A96 PolarHBondContact O-N 2.99Å; H92-A96 VanDerWaalsContact O-N 3.09Å; H92-L131 HydrophobicContact CB-CD2 4.29Å; H92-N134 PolarHBondContact CE1-OD1 3.37Å; H92-N134 VanDerWaalsContact ND1-CG 3.31Å; H92-N134 PolarHBondContact ND1-ND2 3.17Å |
| 93 | I | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60 | -56.5 | 170.4 | -67.6 | 171.1 | 0 | 0 | 0 | 110.2 | L56 C80 F81 S89 L90 A95 A96 A97 I127 L131 | L56-I93 HydrophobicContact CD1-CG2 4.07Å; C80-I93 HydrophobicContact CB-CD1 4.08Å; C80-I93 WeakPolarHBondContact O-CD1 3.3Å; F81-I93 HydrophobicContact CD1-CD1 3.87Å; F81-I93 HydrophobicContact CD2-CD1 4.24Å; F81-I93 HydrophobicContact CE1-CD1 3.86Å; F81-I93 HydrophobicContact CE1-CG2 4.06Å; F81-I93 HydrophobicContact CE2-CD1 4.22Å; F81-I93 HydrophobicContact CG-CD1 4.09Å; F81-I93 HydrophobicContact CZ-CD1 4.04Å; S89-I93 WeakPolarHBondContact O-CG1 3.46Å; S89-I93 PolarHBondContact O-N 2.97Å; L90-I93 PolarHBondContact O-N 2.65Å; I93-A95 VanDerWaalsContact C-N 3.35Å; I93-A95 PolarHBondContact O-N 3.48Å; I93-A96 PolarHBondContact O-N 3.39Å; I93-A97 PolarHBondContact O-N 2.95Å; I93-I127 HydrophobicContact CB-CG2 4.17Å; I93-I127 HydrophobicContact CG1-CG2 3.79Å; I93-I127 HydrophobicContact CG2-CD1 4.44Å; I93-I127 HydrophobicContact CG2-CG2 4.1Å; I93-L131 HydrophobicContact CD1-CD1 4.27Å; I93-L131 HydrophobicContact CG1-CD1 3.89Å; I93-L131 HydrophobicContact CG1-CD2 4.08Å; I93-L131 HydrophobicContact CG1-CG 4.21Å |
| 94 | L | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.1 | -37.2 | -175.7 | -70.7 | 163.6 | 0 | 0 | 0 | 111.5 | F24 V27 L31 L49 L52 V53 L90 A97 Y98 | F24-L94 HydrophobicContact CE1-CD1 4.27Å; V27-L94 HydrophobicContact CG1-CD1 3.62Å; L31-L94 HydrophobicContact CD1-CB 4.03Å; L49-L94 HydrophobicContact CD2-CD1 4.3Å; L49-L94 HydrophobicContact CD2-CD2 4.39Å; L52-L94 HydrophobicContact CB-CD2 4.44Å; L52-L94 HydrophobicContact CD2-CD2 3.73Å; L52-L94 HydrophobicContact CG-CD2 4.04Å; V53-L94 HydrophobicContact CG2-CD1 4.3Å; V53-L94 HydrophobicContact CG2-CD2 4.22Å; L90-L94 HydrophobicContact CD1-CD1 3.74Å; L90-L94 HydrophobicContact CD1-CG 4.18Å; L90-L94 HydrophobicContact CG-CD1 4Å; L90-L94 PolarHBondContact O-N 3.06Å; L90-L94 VanDerWaalsContact O-N 3.1Å; L94-A97 PolarHBondContact O-N 3.28Å; L94-Y98 VanDerWaalsContact O-CD2 3.29Å; L94-Y98 WeakPolarHBondContact O-CD2 3.32Å; L94-Y98 PolarHBondContact O-N 3.06Å |
| 95 | A | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W30 L31 Y35 C91 I93 K99 | W30-A95 HydrophobicContact CZ3-CB 4.03Å; L31-A95 HydrophobicContact CD2-CB 3.75Å; Y35-A95 HydrophobicContact CD1-CB 3.85Å; Y35-A95 HydrophobicContact CD2-CB 3.66Å; Y35-A95 HydrophobicContact CE1-CB 3.77Å; Y35-A95 HydrophobicContact CE2-CB 3.59Å; Y35-A95 HydrophobicContact CG-CB 3.83Å; C91-A95 WeakPolarHBondContact O-CB 3.3Å; C91-A95 PolarHBondContact O-N 3.17Å; I93-A95 VanDerWaalsContact C-N 3.35Å; I93-A95 PolarHBondContact O-N 3.48Å; A95-K99 VanDerWaalsContact O-CB 3.23Å; A95-K99 WeakPolarHBondContact O-CB 3.28Å; A95-K99 PolarHBondContact O-N 3.48Å |
| 96 | A | 96.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H92 I93 K99 F100 I127 | H92-A96 WeakPolarHBondContact O-CB 3.47Å; H92-A96 PolarHBondContact O-N 2.99Å; H92-A96 VanDerWaalsContact O-N 3.09Å; I93-A96 PolarHBondContact O-N 3.39Å; A96-K99 PolarHBondContact O-N 3.27Å; A96-F100 WeakPolarHBondContact O-CB 3.39Å; A96-F100 PolarHBondContact O-N 2.6Å; A96-I127 HydrophobicContact CB-CB 4.4Å; A96-I127 HydrophobicContact CB-CG1 3.75Å |
| 97 | A | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I93 L94 F100 K101 Y109 M123 I127 | I93-A97 PolarHBondContact O-N 2.95Å; L94-A97 PolarHBondContact O-N 3.28Å; A97-F100 PolarHBondContact O-N 3.39Å; A97-K101 WeakPolarHBondContact O-CB 3.39Å; A97-K101 PolarHBondContact O-N 2.74Å; A97-Y109 HydrophobicContact CB-CE1 4.41Å; A97-Y109 PolarHBondContact O-OH 3.49Å; A97-M123 HydrophobicContact CB-SD 4.06Å; A97-I127 HydrophobicContact CB-CD1 4.4Å |
| 98 | Y | 95.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | 177.8 | -85.3 | -74.9 | 0 | 0 | 0 | 112.9 | I39 L49 L52 L94 K101 S102 Y109 | I39-Y98 HydrophobicContact CG2-CD1 3.72Å; I39-Y98 HydrophobicContact CG2-CD2 4.36Å; I39-Y98 HydrophobicContact CG2-CE1 4.35Å; I39-Y98 HydrophobicContact CG2-CG 3.73Å; L49-Y98 HydrophobicContact CD2-CE2 3.64Å; L52-Y98 HydrophobicContact CD2-CD2 4.38Å; L52-Y98 HydrophobicContact CD2-CE2 3.7Å; L94-Y98 VanDerWaalsContact O-CD2 3.29Å; L94-Y98 WeakPolarHBondContact O-CD2 3.32Å; L94-Y98 PolarHBondContact O-N 3.06Å; Y98-K101 HydrophobicContact CD1-CD 4.41Å; Y98-S102 WeakPolarHBondContact O-CB 3.5Å; Y98-S102 PolarHBondContact O-N 3.04Å; Y98-Y109 WeakPolarHBondContact CA-OH 3.02Å; Y98-Y109 HydrophobicContact CE1-CE2 4.33Å; Y98-Y109 PolarHBondContact N-OH 3.16Å |
| 99 | K | 95.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 42.4 Ų | 42.4 | 32% | 0.317 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 170.4 | 175.9 | 176 | -176.2 | -57 | 0 | 110.5 | Y38 A95 A96 S102 D103 | Y38-K99 HydrophobicContact CD1-CB 4.43Å; Y38-K99 HydrophobicContact CD1-CG 4.41Å; Y38-K99 HydrophobicContact CD2-CB 4.38Å; Y38-K99 HydrophobicContact CE1-CB 4.36Å; Y38-K99 HydrophobicContact CE1-CG 3.87Å; Y38-K99 HydrophobicContact CE2-CB 4.3Å; Y38-K99 HydrophobicContact CE2-CD 4.33Å; Y38-K99 HydrophobicContact CE2-CG 4.14Å; Y38-K99 HydrophobicContact CG-CB 4.42Å; A95-K99 VanDerWaalsContact O-CB 3.23Å; A95-K99 WeakPolarHBondContact O-CB 3.28Å; A95-K99 PolarHBondContact O-N 3.48Å; A96-K99 PolarHBondContact O-N 3.27Å; K99-S102 WeakPolarHBondContact O-CB 3.24Å; K99-S102 PolarHBondContact O-N 3.43Å; K99-D103 WeakPolarHBondContact CG-OD2 3.36Å; K99-D103 IonicContact NZ-OD2 3.36Å; K99-D103 PolarHBondContact NZ-OD2 3Å; K99-D103 WeakPolarHBondContact O-CB 3.42Å; K99-D103 PolarHBondContact O-N 2.96Å |
| 100 | F | 95.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | -179.5 | -165.4 | -89.5 | 0 | 0 | 0 | 112.4 | A96 A97 S102 D103 Q104 W106 R119 E122 M123 | A96-F100 WeakPolarHBondContact O-CB 3.39Å; A96-F100 PolarHBondContact O-N 2.6Å; A97-F100 PolarHBondContact O-N 3.39Å; F100-S102 VanDerWaalsContact C-N 3.28Å; F100-S102 PolarHBondContact O-N 2.91Å; F100-D103 PolarHBondContact O-N 2.59Å; F100-Q104 HydrophobicContact CD1-CG 3.78Å; F100-Q104 HydrophobicContact CE1-CG 3.51Å; F100-Q104 HydrophobicContact CE2-CG 4.46Å; F100-Q104 HydrophobicContact CG-CG 4.38Å; F100-Q104 HydrophobicContact CZ-CG 3.89Å; F100-Q104 WeakPolarHBondContact O-CB 3.42Å; F100-Q104 VanDerWaalsContact O-CG 3.29Å; F100-Q104 WeakPolarHBondContact O-CG 3.44Å; F100-Q104 PolarHBondContact O-N 3.17Å; F100-W106 HydrophobicContact CD1-CH2 4.46Å; F100-W106 HydrophobicContact CD1-CZ3 4.4Å; F100-W106 AromaticContact CE1-CH2 3.99Å; F100-W106 HydrophobicContact CE1-CH2 3.99Å; F100-W106 HydrophobicContact CE1-CZ2 4.44Å; F100-W106 HydrophobicContact CE1-CZ3 4.37Å; F100-R119 HydrophobicContact CE1-CB 4.47Å; F100-R119 WeakPolarHBondContact CE1-O 3.3Å; F100-R119 VanDerWaalsContact CZ-O 3.27Å; F100-R119 WeakPolarHBondContact CZ-O 3.36Å; F100-E122 HydrophobicContact CE2-CB 4.26Å; F100-E122 HydrophobicContact CE2-CG 3.85Å; F100-E122 HydrophobicContact CZ-CB 3.96Å; F100-E122 HydrophobicContact CZ-CG 3.97Å; F100-E122 WeakPolarHBondContact CZ-OE2 3.3Å; F100-M123 HydrophobicContact CB-CB 4.48Å; F100-M123 HydrophobicContact CB-CG 3.8Å; F100-M123 HydrophobicContact CB-SD 4.18Å; F100-M123 HydrophobicContact CD1-CB 3.56Å; F100-M123 HydrophobicContact CD1-CG 3.69Å; F100-M123 HydrophobicContact CD1-SD 3.93Å; F100-M123 HydrophobicContact CD2-CB 4.29Å; F100-M123 HydrophobicContact CD2-CG 4.45Å; F100-M123 HydrophobicContact CE1-CB 3.72Å; F100-M123 HydrophobicContact CE1-CG 4.36Å; F100-M123 HydrophobicContact CE2-CB 4.44Å; F100-M123 HydrophobicContact CG-CB 3.86Å; F100-M123 HydrophobicContact CG-CG 3.73Å; F100-M123 HydrophobicContact CG-SD 4.34Å; F100-M123 HydrophobicContact CZ-CB 4.16Å |
| 101 | K | 94.2 | Very high | 94.2 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.4 | -46.6 | 172.2 | -169.7 | -152.8 | -172.9 | -142.7 | 0 | 111.5 | E42 A97 Y98 G105 W106 R107 Y109 | E42-K101 IonicContact OE2-NZ 3.91Å; E42-K101 PolarHBondContact OE2-NZ 3.19Å; A97-K101 WeakPolarHBondContact O-CB 3.39Å; A97-K101 PolarHBondContact O-N 2.74Å; Y98-K101 HydrophobicContact CD1-CD 4.41Å; K101-G105 PolarHBondContact O-N 2.98Å; K101-W106 WeakPolarHBondContact CE-O 3.35Å; K101-W106 HydrophobicContact CG-CB 3.93Å; K101-W106 WeakPolarHBondContact CG-O 3.36Å; K101-W106 PolarHBondContact O-N 2.95Å; K101-R107 VanDerWaalsContact CE-O 3.27Å; K101-R107 WeakPolarHBondContact CE-O 3.25Å; K101-R107 PolarHBondContact NZ-O 3.06Å; K101-Y109 HydrophobicContact CB-CE1 3.82Å; K101-Y109 HydrophobicContact CD-CD2 4.48Å; K101-Y109 HydrophobicContact CD-CE1 4.48Å; K101-Y109 HydrophobicContact CD-CE2 3.86Å; K101-Y109 HydrophobicContact CG-CE1 4.07Å; K101-Y109 HydrophobicContact CG-CE2 4.31Å |
| 102 | S | 93.5 | Very high | 93.9 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70 | -46.3 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | Y98 K99 F100 Q104 G105 | Y98-S102 WeakPolarHBondContact O-CB 3.5Å; Y98-S102 PolarHBondContact O-N 3.04Å; K99-S102 WeakPolarHBondContact O-CB 3.24Å; K99-S102 PolarHBondContact O-N 3.43Å; F100-S102 VanDerWaalsContact C-N 3.28Å; F100-S102 PolarHBondContact O-N 2.91Å; S102-Q104 VanDerWaalsContact C-N 3.26Å; S102-Q104 PolarHBondContact O-N 3.46Å; S102-G105 PolarHBondContact O-N 3.18Å |
| 103 | D | 93.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.4 | -29.6 | -178.3 | -67 | -13.4 | 0 | 0 | 0 | 111.6 | K99 F100 | K99-D103 WeakPolarHBondContact CG-OD2 3.36Å; K99-D103 IonicContact NZ-OD2 3.36Å; K99-D103 PolarHBondContact NZ-OD2 3Å; K99-D103 WeakPolarHBondContact O-CB 3.42Å; K99-D103 PolarHBondContact O-N 2.96Å; F100-D103 PolarHBondContact O-N 2.59Å |
| 104 | Q | 93.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 27% | 0.271 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.8 | 173 | -59.8 | -72 | -20.2 | 0 | 0 | 114 | F100 S102 W106 | F100-Q104 HydrophobicContact CD1-CG 3.78Å; F100-Q104 HydrophobicContact CE1-CG 3.51Å; F100-Q104 HydrophobicContact CE2-CG 4.46Å; F100-Q104 HydrophobicContact CG-CG 4.38Å; F100-Q104 HydrophobicContact CZ-CG 3.89Å; F100-Q104 WeakPolarHBondContact O-CB 3.42Å; F100-Q104 VanDerWaalsContact O-CG 3.29Å; F100-Q104 WeakPolarHBondContact O-CG 3.44Å; F100-Q104 PolarHBondContact O-N 3.17Å; S102-Q104 VanDerWaalsContact C-N 3.26Å; S102-Q104 PolarHBondContact O-N 3.46Å; Q104-W106 VanDerWaalsContact C-N 3.3Å; Q104-W106 HydrophobicContact CB-CD2 4.08Å; Q104-W106 HydrophobicContact CB-CG 4.08Å; Q104-W106 HydrophobicContact CB-CZ2 4.37Å; Q104-W106 HydrophobicContact CG-CZ2 4.43Å; Q104-W106 PolarHBondContact O-N 3.33Å |
| 105 | G | 91 | Very high | 92.8 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 66% | 0.66 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 24.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K101 S102 | K101-G105 PolarHBondContact O-N 2.98Å; S102-G105 PolarHBondContact O-N 3.18Å |
| 106 | W | 92.7 | Very high | 92.5 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 12% | 0.121 | 34% | 0.34 | C | S | . | . | trans | -78.4 | 124.1 | -174 | -69.9 | -1.9 | 0 | 0 | 0 | 112.7 | F100 K101 Q104 R119 N120 | F100-W106 HydrophobicContact CD1-CH2 4.46Å; F100-W106 HydrophobicContact CD1-CZ3 4.4Å; F100-W106 AromaticContact CE1-CH2 3.99Å; F100-W106 HydrophobicContact CE1-CH2 3.99Å; F100-W106 HydrophobicContact CE1-CZ2 4.44Å; F100-W106 HydrophobicContact CE1-CZ3 4.37Å; K101-W106 WeakPolarHBondContact CE-O 3.35Å; K101-W106 HydrophobicContact CG-CB 3.93Å; K101-W106 WeakPolarHBondContact CG-O 3.36Å; K101-W106 PolarHBondContact O-N 2.95Å; Q104-W106 VanDerWaalsContact C-N 3.3Å; Q104-W106 HydrophobicContact CB-CD2 4.08Å; Q104-W106 HydrophobicContact CB-CG 4.08Å; Q104-W106 HydrophobicContact CB-CZ2 4.37Å; Q104-W106 HydrophobicContact CG-CZ2 4.43Å; Q104-W106 PolarHBondContact O-N 3.33Å; W106-R119 HydrophobicContact CH2-CB 3.82Å; W106-R119 HydrophobicContact CZ2-CB 3.65Å; W106-R119 HydrophobicContact CZ2-CG 4.35Å; W106-N120 VanDerWaalsContact CH2-OD1 3.26Å; W106-N120 WeakPolarHBondContact CH2-OD1 3.37Å; W106-N120 WeakPolarHBondContact CZ3-OD1 3.48Å | ||
| 107 | R | 88.2 | Confident | 92.3 | Very high | 234 Ų | 234 | 70 Ų | 70 | 88% | 0.883 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -64.2 | -43.2 | 172.7 | -66.1 | -172.1 | -178.4 | -170.2 | 0.6 | 112.6 | K101 | K101-R107 VanDerWaalsContact CE-O 3.27Å; K101-R107 WeakPolarHBondContact CE-O 3.25Å; K101-R107 PolarHBondContact NZ-O 3.06Å |
| 108 | R | 89.4 | Confident | 92.2 | Very high | 186 Ų | 186 | 76.6 Ų | 76.6 | 70% | 0.702 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -138.8 | 155 | 176.8 | 65.6 | -179.7 | -175.6 | -135.7 | 2 | 110.8 | R116 | R108-R116 PolarHBondContact O-NH1 3.15Š|
| 109 | Y | 93.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 81.3 Ų | 81.3 | 11% | 0.11 | 41% | 0.405 | C | S | . | . | trans | -64.9 | 149.6 | 164.2 | -61.5 | -80.3 | 0 | 0 | 0 | 109.9 | L52 A97 Y98 K101 F111 M123 | L52-Y109 HydrophobicContact CD1-CD1 4.15Å; L52-Y109 HydrophobicContact CD1-CD2 3.58Å; L52-Y109 HydrophobicContact CD1-CE1 4.26Å; L52-Y109 HydrophobicContact CD1-CE2 3.71Å; L52-Y109 HydrophobicContact CD1-CG 3.82Å; L52-Y109 HydrophobicContact CD2-CD2 4.24Å; L52-Y109 HydrophobicContact CD2-CE2 3.53Å; L52-Y109 HydrophobicContact CG-CE2 4.27Å; A97-Y109 HydrophobicContact CB-CE1 4.41Å; A97-Y109 PolarHBondContact O-OH 3.49Å; Y98-Y109 WeakPolarHBondContact CA-OH 3.02Å; Y98-Y109 HydrophobicContact CE1-CE2 4.33Å; Y98-Y109 PolarHBondContact N-OH 3.16Å; K101-Y109 HydrophobicContact CB-CE1 3.82Å; K101-Y109 HydrophobicContact CD-CD2 4.48Å; K101-Y109 HydrophobicContact CD-CE1 4.48Å; K101-Y109 HydrophobicContact CD-CE2 3.86Å; K101-Y109 HydrophobicContact CG-CE1 4.07Å; K101-Y109 HydrophobicContact CG-CE2 4.31Å; Y109-F111 HydrophobicContact CD1-CE2 4.39Å; Y109-F111 HydrophobicContact CD1-CZ 4.16Å; Y109-F111 HydrophobicContact CG-CE2 4.23Å; Y109-F111 HydrophobicContact CG-CZ 4.45Å; Y109-M123 HydrophobicContact CD1-SD 4.49Å; Y109-M123 HydrophobicContact CE1-SD 4.05Å | ||
| 110 | D | 91.5 | Very high | 92.2 | Very high | 36 Ų | 36 | 77.9 Ų | 77.9 | 19% | 0.193 | 39% | 0.39 | C | S | . | . | trans | -157.3 | 91.6 | -174.8 | -176.5 | 3.5 | 0 | 0 | 0 | 107.6 | N113 R116 N120 | D110-N113 WeakPolarHBondContact OD1-CB 3.42Å; D110-N113 PolarHBondContact OD1-N 3.33Å; D110-N113 WeakPolarHBondContact OD2-CB 3.45Å; D110-N113 PolarHBondContact OD2-ND2 3.38Å; D110-R116 IonicContact OD2-NE 3.73Å; D110-N120 PolarHBondContact O-ND2 3.35Å | ||
| 111 | F | 94.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 78 Ų | 78 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -89.8 | -24.6 | -173.5 | -68.1 | -75.6 | 0 | 0 | 0 | 113 | L52 Q55 L56 F59 Y109 N120 M123 | L52-F111 HydrophobicContact CD1-CE2 4.11Å; L52-F111 HydrophobicContact CD1-CZ 4.25Å; Q55-F111 HydrophobicContact CB-CD2 3.74Å; Q55-F111 HydrophobicContact CB-CE2 3.66Å; Q55-F111 HydrophobicContact CG-CD2 4.45Å; L56-F111 HydrophobicContact CD2-CE1 3.92Å; L56-F111 HydrophobicContact CD2-CZ 3.65Å; L56-F111 HydrophobicContact CG-CZ 4.15Å; F59-F111 HydrophobicContact CB-CB 4.25Å; F59-F111 HydrophobicContact CB-CD1 3.8Å; F59-F111 HydrophobicContact CB-CE1 4.46Å; F59-F111 HydrophobicContact CB-CG 4.19Å; F59-F111 HydrophobicContact CD1-CD1 4.28Å; F59-F111 HydrophobicContact CD2-CB 3.86Å; F59-F111 AromaticContact CD2-CD1 3.72Å; F59-F111 HydrophobicContact CD2-CD1 3.72Å; F59-F111 HydrophobicContact CD2-CG 4.25Å; F59-F111 HydrophobicContact CE2-CD1 4.35Å; F59-F111 HydrophobicContact CG-CB 4.38Å; F59-F111 AromaticContact CG-CD1 3.66Å; F59-F111 HydrophobicContact CG-CD1 3.66Å; F59-F111 HydrophobicContact CG-CE1 4.4Å; F59-F111 HydrophobicContact CG-CG 4.37Å; Y109-F111 HydrophobicContact CD1-CE2 4.39Å; Y109-F111 HydrophobicContact CD1-CZ 4.16Å; Y109-F111 HydrophobicContact CG-CE2 4.23Å; Y109-F111 HydrophobicContact CG-CZ 4.45Å; F111-N120 HydrophobicContact CD1-CB 4.49Å; F111-M123 HydrophobicContact CE1-CE 3.6Å; F111-M123 HydrophobicContact CZ-CE 3.84Å |
| 112 | Q | 90.3 | Very high | 92.2 | Very high | 174 Ų | 174 | 80.5 Ų | 80.5 | 81% | 0.813 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -81.7 | -22.8 | -177.8 | -67.6 | 176.7 | -23.7 | 0 | 0 | 113.1 | P114 | Q112-P114 VanDerWaalsContact O-CD 3.25Å; Q112-P114 WeakPolarHBondContact O-CD 3.41Å |
| 113 | N | 89.4 | Confident | 92.4 | Very high | 50 Ų | 50 | 77.8 Ų | 77.8 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | trans | -75.7 | 113.1 | -175.3 | 180 | -10.9 | 0 | 0 | 0 | 112.3 | D110 S115 R116 | D110-N113 WeakPolarHBondContact OD1-CB 3.42Å; D110-N113 PolarHBondContact OD1-N 3.33Å; D110-N113 WeakPolarHBondContact OD2-CB 3.45Å; D110-N113 PolarHBondContact OD2-ND2 3.38Å; N113-S115 PolarHBondContact O-N 2.98Å; N113-S115 VanDerWaalsContact O-N 3.14Å; N113-S115 WeakPolarHBondContact OD1-CB 3.46Å; N113-S115 PolarHBondContact OD1-N 3.03Å; N113-S115 VanDerWaalsContact OD1-N 3.15Å; N113-S115 PolarHBondContact OD1-OG 3.01Å; N113-R116 PolarHBondContact O-N 2.75Å | ||
| 114 | P | 87.8 | Confident | 92.5 | Very high | 106 Ų | 106 | 73.9 Ų | 73.9 | 69% | 0.688 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -61.7 | -28.4 | -174.9 | -24.6 | 35.9 | 0 | 0 | 0 | 113.8 | Q112 R116 M117 | Q112-P114 VanDerWaalsContact O-CD 3.25Å; Q112-P114 WeakPolarHBondContact O-CD 3.41Å; P114-R116 PolarHBondContact O-N 3.32Å; P114-R116 VanDerWaalsContact O-N 3.1Å; P114-M117 VanDerWaalsContact O-CB 3.3Å; P114-M117 WeakPolarHBondContact O-CB 3.47Å; P114-M117 PolarHBondContact O-N 3.11Å; P114-M117 VanDerWaalsContact O-N 3.08Å |
| 115 | S | 90 | Very high | 92.6 | Very high | 103 Ų | 103 | 75.8 Ų | 75.8 | 72% | 0.72 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -66.4 | -10.2 | 177.2 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | N113 | N113-S115 PolarHBondContact O-N 2.98Å; N113-S115 VanDerWaalsContact O-N 3.14Å; N113-S115 WeakPolarHBondContact OD1-CB 3.46Å; N113-S115 PolarHBondContact OD1-N 3.03Å; N113-S115 VanDerWaalsContact OD1-N 3.15Å; N113-S115 PolarHBondContact OD1-OG 3.01Å |
| 116 | R | 90.7 | Very high | 92.9 | Very high | 60 Ų | 60 | 75 Ų | 75 | 23% | 0.226 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -108.3 | -1.4 | 175.1 | -65.7 | -177.6 | 174.3 | -155.4 | -0 | 113.6 | R108 D110 N113 P114 D118 R119 N120 | R108-R116 PolarHBondContact O-NH1 3.15Å; D110-R116 IonicContact OD2-NE 3.73Å; N113-R116 PolarHBondContact O-N 2.75Å; P114-R116 PolarHBondContact O-N 3.32Å; P114-R116 VanDerWaalsContact O-N 3.1Å; R116-D118 PolarHBondContact O-N 2.94Å; R116-R119 PolarHBondContact O-N 2.91Å; R116-N120 PolarHBondContact O-N 3.22Å; R116-N120 PolarHBondContact O-ND2 2.96Å |
| 117 | M | 92.5 | Very high | 93.1 | Very high | 60 Ų | 60 | 73.4 Ų | 73.4 | 30% | 0.296 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.1 | -55 | -172.8 | -175.1 | 56.9 | 71.6 | 0 | 0 | 111.9 | F59 V63 P114 R119 N120 V121 | F59-M117 HydrophobicContact CE2-CE 4.01Å; F59-M117 HydrophobicContact CE2-SD 3.56Å; F59-M117 VanDerWaalsContact CE2-SD 3.56Å; F59-M117 HydrophobicContact CZ-SD 3.62Å; V63-M117 HydrophobicContact CG1-SD 3.87Å; V63-M117 HydrophobicContact CG2-CE 3.88Å; V63-M117 HydrophobicContact CG2-SD 3.78Å; P114-M117 VanDerWaalsContact O-CB 3.3Å; P114-M117 WeakPolarHBondContact O-CB 3.47Å; P114-M117 PolarHBondContact O-N 3.11Å; P114-M117 VanDerWaalsContact O-N 3.08Å; M117-R119 VanDerWaalsContact C-N 3.28Å; M117-R119 PolarHBondContact O-N 3.32Å; M117-N120 WeakPolarHBondContact O-CB 3.3Å; M117-N120 PolarHBondContact O-N 2.97Å; M117-V121 WeakPolarHBondContact O-CG2 3.3Å; M117-V121 PolarHBondContact O-N 2.89Å |
| 118 | D | 94.1 | Very high | 93.4 | Very high | 137 Ų | 137 | 63.4 Ų | 63.4 | 73% | 0.733 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.9 | -37 | -180 | -57.1 | -30.6 | 0 | 0 | 0 | 113 | R116 V121 E122 | R116-D118 PolarHBondContact O-N 2.94Å; D118-V121 PolarHBondContact O-N 3.27Å; D118-E122 WeakPolarHBondContact O-CB 3.47Å; D118-E122 PolarHBondContact O-N 2.9Å |
| 119 | R | 95.1 | Very high | 93.7 | Very high | 113 Ų | 113 | 60.8 Ų | 60.8 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.2 | -33.3 | 177 | -66.5 | -60.5 | -166.4 | 175.4 | 1.8 | 112.4 | F100 W106 R116 M117 E122 M123 | F100-R119 HydrophobicContact CE1-CB 4.47Å; F100-R119 WeakPolarHBondContact CE1-O 3.3Å; F100-R119 VanDerWaalsContact CZ-O 3.27Å; F100-R119 WeakPolarHBondContact CZ-O 3.36Å; W106-R119 HydrophobicContact CH2-CB 3.82Å; W106-R119 HydrophobicContact CZ2-CB 3.65Å; W106-R119 HydrophobicContact CZ2-CG 4.35Å; R116-R119 PolarHBondContact O-N 2.91Å; M117-R119 VanDerWaalsContact C-N 3.28Å; M117-R119 PolarHBondContact O-N 3.32Å; R119-E122 WeakPolarHBondContact CD-OE2 3.4Å; R119-E122 IonicContact CZ-OE2 2.97Å; R119-E122 IonicContact NE-OE2 3.28Å; R119-E122 IonicContact NH1-OE1 3.21Å; R119-E122 PolarHBondContact NH1-OE1 3.03Å; R119-E122 IonicContact NH1-OE2 2.65Å; R119-E122 PolarHBondContact NH1-OE2 3.46Å; R119-E122 PolarHBondContact O-N 3.26Å; R119-M123 PolarHBondContact O-N 3.11Å |
| 120 | N | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 172.1 | -67.8 | -26.9 | 0 | 0 | 0 | 110.4 | F59 W106 D110 F111 R116 M117 M123 F124 | F59-N120 HydrophobicContact CE1-CB 3.91Å; F59-N120 HydrophobicContact CE2-CB 3.73Å; F59-N120 HydrophobicContact CZ-CB 3.33Å; W106-N120 VanDerWaalsContact CH2-OD1 3.26Å; W106-N120 WeakPolarHBondContact CH2-OD1 3.37Å; W106-N120 WeakPolarHBondContact CZ3-OD1 3.48Å; D110-N120 PolarHBondContact O-ND2 3.35Å; F111-N120 HydrophobicContact CD1-CB 4.49Å; R116-N120 PolarHBondContact O-N 3.22Å; R116-N120 PolarHBondContact O-ND2 2.96Å; M117-N120 WeakPolarHBondContact O-CB 3.3Å; M117-N120 PolarHBondContact O-N 2.97Å; N120-M123 WeakPolarHBondContact O-CB 3.17Å; N120-M123 PolarHBondContact O-N 2.94Å; N120-F124 WeakPolarHBondContact O-CD2 3.13Å; N120-F124 PolarHBondContact O-N 3.44Å; N120-F124 VanDerWaalsContact O-N 3.11Å |
| 121 | V | 95.7 | Very high | 94 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 171.8 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | F59 V63 F64 P72 L73 M117 D118 M123 F124 M125 | F59-V121 HydrophobicContact CZ-CG2 4.38Å; V63-V121 HydrophobicContact CG1-CG2 4.43Å; F64-V121 HydrophobicContact CE1-CG1 4.48Å; F64-V121 HydrophobicContact CE1-CG2 4.04Å; F64-V121 HydrophobicContact CZ-CG2 4.26Å; P72-V121 HydrophobicContact CB-CG1 4.25Å; P72-V121 HydrophobicContact CG-CG1 4.09Å; P72-V121 HydrophobicContact CG-CG2 4.22Å; L73-V121 HydrophobicContact CD1-CG1 3.92Å; L73-V121 HydrophobicContact CG-CG1 4.16Å; M117-V121 WeakPolarHBondContact O-CG2 3.3Å; M117-V121 PolarHBondContact O-N 2.89Å; D118-V121 PolarHBondContact O-N 3.27Å; V121-M123 VanDerWaalsContact C-N 3.28Å; V121-M123 PolarHBondContact O-N 3.45Å; V121-F124 PolarHBondContact O-N 3.36Å; V121-M125 HydrophobicContact CG1-CE 4.45Å; V121-M125 PolarHBondContact O-N 3.38Å |
| 122 | E | 95.9 | Very high | 94 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -34.8 | 173.5 | -171.7 | -171.2 | -163.1 | 0 | 0 | 112.4 | F100 D118 R119 M125 T126 | F100-E122 HydrophobicContact CE2-CB 4.26Å; F100-E122 HydrophobicContact CE2-CG 3.85Å; F100-E122 HydrophobicContact CZ-CB 3.96Å; F100-E122 HydrophobicContact CZ-CG 3.97Å; F100-E122 WeakPolarHBondContact CZ-OE2 3.3Å; D118-E122 WeakPolarHBondContact O-CB 3.47Å; D118-E122 PolarHBondContact O-N 2.9Å; R119-E122 WeakPolarHBondContact CD-OE2 3.4Å; R119-E122 IonicContact CZ-OE2 2.97Å; R119-E122 IonicContact NE-OE2 3.28Å; R119-E122 IonicContact NH1-OE1 3.21Å; R119-E122 PolarHBondContact NH1-OE1 3.03Å; R119-E122 IonicContact NH1-OE2 2.65Å; R119-E122 PolarHBondContact NH1-OE2 3.46Å; R119-E122 PolarHBondContact O-N 3.26Å; E122-M125 PolarHBondContact O-N 2.9Å; E122-T126 WeakPolarHBondContact O-CB 3.34Å; E122-T126 PolarHBondContact O-N 3.1Å; E122-T126 PolarHBondContact O-OG1 3.05Å |
| 123 | M | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 170.9 | -170.7 | 173.7 | 63.6 | 0 | 0 | 111.5 | L56 A97 F100 Y109 F111 R119 N120 V121 T126 I127 | L56-M123 HydrophobicContact CD2-CE 3.82Å; A97-M123 HydrophobicContact CB-SD 4.06Å; F100-M123 HydrophobicContact CB-CB 4.48Å; F100-M123 HydrophobicContact CB-CG 3.8Å; F100-M123 HydrophobicContact CB-SD 4.18Å; F100-M123 HydrophobicContact CD1-CB 3.56Å; F100-M123 HydrophobicContact CD1-CG 3.69Å; F100-M123 HydrophobicContact CD1-SD 3.93Å; F100-M123 HydrophobicContact CD2-CB 4.29Å; F100-M123 HydrophobicContact CD2-CG 4.45Å; F100-M123 HydrophobicContact CE1-CB 3.72Å; F100-M123 HydrophobicContact CE1-CG 4.36Å; F100-M123 HydrophobicContact CE2-CB 4.44Å; F100-M123 HydrophobicContact CG-CB 3.86Å; F100-M123 HydrophobicContact CG-CG 3.73Å; F100-M123 HydrophobicContact CG-SD 4.34Å; F100-M123 HydrophobicContact CZ-CB 4.16Å; Y109-M123 HydrophobicContact CD1-SD 4.49Å; Y109-M123 HydrophobicContact CE1-SD 4.05Å; F111-M123 HydrophobicContact CE1-CE 3.6Å; F111-M123 HydrophobicContact CZ-CE 3.84Å; R119-M123 PolarHBondContact O-N 3.11Å; N120-M123 WeakPolarHBondContact O-CB 3.17Å; N120-M123 PolarHBondContact O-N 2.94Å; V121-M123 VanDerWaalsContact C-N 3.28Å; V121-M123 PolarHBondContact O-N 3.45Å; M123-T126 CarbonylContact O-C 3.46Å; M123-T126 WeakPolarHBondContact O-CA 3.16Å; M123-T126 WeakPolarHBondContact O-CB 3.29Å; M123-T126 PolarHBondContact O-N 3.5Å; M123-T126 VanDerWaalsContact O-N 3.14Å; M123-I127 HydrophobicContact CG-CD1 4.11Å; M123-I127 WeakPolarHBondContact O-CG1 3.49Å; M123-I127 PolarHBondContact O-N 2.97Å |
| 124 | F | 96.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67 | -36.8 | 175.9 | -90.1 | -93.7 | 0 | 0 | 0 | 113 | L56 F59 Q60 F64 L73 L76 N120 V121 T126 I127 E128 | L56-F124 HydrophobicContact CB-CZ 4.06Å; L56-F124 HydrophobicContact CD2-CE2 3.63Å; L56-F124 HydrophobicContact CD2-CZ 3.66Å; L56-F124 HydrophobicContact CG-CZ 4.49Å; L56-F124 WeakPolarHBondContact O-CZ 3.41Å; F59-F124 AromaticContact CD1-CD2 3.92Å; F59-F124 HydrophobicContact CD1-CD2 3.92Å; F59-F124 AromaticContact CD1-CE2 3.47Å; F59-F124 HydrophobicContact CD1-CE2 3.47Å; F59-F124 VanDerWaalsContact CD1-CE2 3.47Å; F59-F124 HydrophobicContact CD1-CZ 4.2Å; F59-F124 AromaticContact CE1-CD2 3.92Å; F59-F124 HydrophobicContact CE1-CD2 3.92Å; F59-F124 AromaticContact CE1-CE2 3.96Å; F59-F124 HydrophobicContact CE1-CE2 3.96Å; F59-F124 HydrophobicContact CG-CE2 4.48Å; Q60-F124 HydrophobicContact CB-CE1 4.19Å; Q60-F124 HydrophobicContact CB-CZ 4.29Å; F64-F124 HydrophobicContact CE2-CB 3.94Å; F64-F124 AromaticContact CE2-CD1 3.76Å; F64-F124 HydrophobicContact CE2-CD1 3.76Å; F64-F124 HydrophobicContact CE2-CD2 4.18Å; F64-F124 HydrophobicContact CE2-CE1 4.29Å; F64-F124 AromaticContact CE2-CG 3.69Å; F64-F124 HydrophobicContact CE2-CG 3.69Å; F64-F124 HydrophobicContact CZ-CB 4.07Å; F64-F124 HydrophobicContact CZ-CD2 4.41Å; F64-F124 HydrophobicContact CZ-CG 4.13Å; L73-F124 HydrophobicContact CD1-CB 3.61Å; L76-F124 HydrophobicContact CD1-CD1 3.96Å; L76-F124 HydrophobicContact CD1-CE1 4.13Å; N120-F124 WeakPolarHBondContact O-CD2 3.13Å; N120-F124 PolarHBondContact O-N 3.44Å; N120-F124 VanDerWaalsContact O-N 3.11Å; V121-F124 PolarHBondContact O-N 3.36Å; F124-T126 VanDerWaalsContact C-N 3.27Å; F124-T126 PolarHBondContact O-N 3.08Å; F124-I127 PolarHBondContact O-N 2.78Å; F124-E128 PolarHBondContact O-N 3.31Å |
| 125 | M | 95.6 | Very high | 94.5 | Very high | 98 Ų | 98 | 61.2 Ų | 61.2 | 48% | 0.483 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 168 | -71.2 | -177.8 | 175.9 | 0 | 0 | 111.9 | L73 V121 E122 K129 | L73-M125 HydrophobicContact CD1-CG 3.99Å; L73-M125 HydrophobicContact CD2-CE 3.86Å; L73-M125 HydrophobicContact CD2-CG 3.78Å; L73-M125 HydrophobicContact CG-CG 4.43Å; V121-M125 HydrophobicContact CG1-CE 4.45Å; V121-M125 PolarHBondContact O-N 3.38Å; E122-M125 PolarHBondContact O-N 2.9Å; M125-K129 VanDerWaalsContact O-CB 3.31Å; M125-K129 WeakPolarHBondContact O-CB 3.36Å; M125-K129 PolarHBondContact O-N 3.05Å |
| 126 | T | 96.5 | Very high | 94.5 | Very high | 47 Ų | 47 | 58 Ų | 58 | 29% | 0.288 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | E122 M123 F124 S130 | E122-T126 WeakPolarHBondContact O-CB 3.34Å; E122-T126 PolarHBondContact O-N 3.1Å; E122-T126 PolarHBondContact O-OG1 3.05Å; M123-T126 CarbonylContact O-C 3.46Å; M123-T126 WeakPolarHBondContact O-CA 3.16Å; M123-T126 WeakPolarHBondContact O-CB 3.29Å; M123-T126 PolarHBondContact O-N 3.5Å; M123-T126 VanDerWaalsContact O-N 3.14Å; F124-T126 VanDerWaalsContact C-N 3.27Å; F124-T126 PolarHBondContact O-N 3.08Å; T126-S130 WeakPolarHBondContact O-CB 3.3Å; T126-S130 PolarHBondContact O-N 3.12Å |
| 127 | I | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.9 | -49.5 | 174 | -70 | 161.2 | 0 | 0 | 0 | 110.8 | L56 L76 I93 A96 A97 M123 F124 K129 S130 L131 | L56-I127 HydrophobicContact CD2-CD1 4.37Å; L76-I127 HydrophobicContact CD1-CB 4.47Å; L76-I127 HydrophobicContact CD1-CG2 3.51Å; I93-I127 HydrophobicContact CB-CG2 4.17Å; I93-I127 HydrophobicContact CG1-CG2 3.79Å; I93-I127 HydrophobicContact CG2-CD1 4.44Å; I93-I127 HydrophobicContact CG2-CG2 4.1Å; A96-I127 HydrophobicContact CB-CB 4.4Å; A96-I127 HydrophobicContact CB-CG1 3.75Å; A97-I127 HydrophobicContact CB-CD1 4.4Å; M123-I127 HydrophobicContact CG-CD1 4.11Å; M123-I127 WeakPolarHBondContact O-CG1 3.49Å; M123-I127 PolarHBondContact O-N 2.97Å; F124-I127 PolarHBondContact O-N 2.78Å; I127-K129 VanDerWaalsContact C-N 3.34Å; I127-K129 PolarHBondContact O-N 2.86Å; I127-S130 WeakPolarHBondContact O-CB 3.29Å; I127-S130 PolarHBondContact O-N 3.06Å; I127-S130 VanDerWaalsContact O-N 3.16Å; I127-L131 HydrophobicContact CG2-CD1 4.11Å; I127-L131 PolarHBondContact O-N 3.5Å |
| 128 | E | 94.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | -179.9 | -159.9 | -141 | 147.2 | 0 | 0 | 110.9 | L76 F124 S130 L131 V132 L137 R139 Q164 | L76-E128 HydrophobicContact CD2-CB 4.05Å; L76-E128 HydrophobicContact CD2-CG 3.8Å; F124-E128 PolarHBondContact O-N 3.31Å; E128-S130 VanDerWaalsContact C-N 3.34Å; E128-S130 PolarHBondContact O-N 2.91Å; E128-L131 PolarHBondContact O-N 2.71Å; E128-V132 WeakPolarHBondContact O-CG2 3.29Å; E128-V132 PolarHBondContact O-N 3.15Å; E128-L137 HydrophobicContact CG-CD2 3.86Å; E128-R139 IonicContact OE1-CZ 3.94Å; E128-R139 IonicContact OE1-NE 3.02Å; E128-R139 PolarHBondContact OE1-NE 3.43Å; E128-R139 IonicContact OE1-NH2 3.96Å; E128-R139 PolarHBondContact OE1-NH2 3.3Å; E128-R139 IonicContact OE2-NH2 3.26Å; E128-R139 PolarHBondContact OE2-NH2 3.21Å; E128-Q164 PolarHBondContact OE1-NE2 3.25Å; E128-Q164 PolarHBondContact OE2-NE2 3.37Å |
| 129 | K | 95.1 | Very high | 94.1 | Very high | 130 Ų | 130 | 57.2 Ų | 57.2 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 175.5 | -173.8 | 174.4 | -178.8 | 176.3 | 0 | 112.1 | M125 I127 V132 Q133 | M125-K129 VanDerWaalsContact O-CB 3.31Å; M125-K129 WeakPolarHBondContact O-CB 3.36Å; M125-K129 PolarHBondContact O-N 3.05Å; I127-K129 VanDerWaalsContact C-N 3.34Å; I127-K129 PolarHBondContact O-N 2.86Å; K129-V132 PolarHBondContact O-N 3.28Å; K129-Q133 HydrophobicContact CG-CG 4.43Å; K129-Q133 WeakPolarHBondContact O-CB 3.28Å; K129-Q133 VanDerWaalsContact O-CG 3.23Å; K129-Q133 WeakPolarHBondContact O-CG 3.44Å; K129-Q133 PolarHBondContact O-N 2.92Å |
| 130 | S | 95.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | T126 I127 E128 Q133 N134 | T126-S130 WeakPolarHBondContact O-CB 3.3Å; T126-S130 PolarHBondContact O-N 3.12Å; I127-S130 WeakPolarHBondContact O-CB 3.29Å; I127-S130 PolarHBondContact O-N 3.06Å; I127-S130 VanDerWaalsContact O-N 3.16Å; E128-S130 VanDerWaalsContact C-N 3.34Å; E128-S130 PolarHBondContact O-N 2.91Å; S130-Q133 PolarHBondContact O-N 3.23Å; S130-N134 PolarHBondContact O-N 2.93Å; S130-N134 VanDerWaalsContact O-N 3.13Å; S130-N134 PolarHBondContact O-ND2 3.07Å |
| 131 | L | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 178.3 | -75.1 | 170 | 0 | 0 | 0 | 112.4 | L76 S89 H92 I93 I127 E128 N134 N135 C136 L137 | L76-L131 HydrophobicContact CD1-CD1 4.18Å; L76-L131 HydrophobicContact CD2-CD1 3.94Å; S89-L131 WeakPolarHBondContact O-CD2 3.37Å; H92-L131 HydrophobicContact CB-CD2 4.29Å; I93-L131 HydrophobicContact CD1-CD1 4.27Å; I93-L131 HydrophobicContact CG1-CD1 3.89Å; I93-L131 HydrophobicContact CG1-CD2 4.08Å; I93-L131 HydrophobicContact CG1-CG 4.21Å; I127-L131 HydrophobicContact CG2-CD1 4.11Å; I127-L131 PolarHBondContact O-N 3.5Å; E128-L131 PolarHBondContact O-N 2.71Å; L131-N134 PolarHBondContact O-N 2.89Å; L131-N135 PolarHBondContact O-N 3.25Å; L131-C136 HydrophobicContact CB-CB 4.33Å; L131-C136 HydrophobicContact CD2-CB 3.54Å; L131-C136 WeakPolarHBondContact O-CA 3.49Å; L131-C136 WeakPolarHBondContact O-CB 3.17Å; L131-C136 PolarHBondContact O-N 2.93Å; L131-L137 HydrophobicContact CB-CB 3.73Å; L131-L137 HydrophobicContact CB-CD2 4.43Å; L131-L137 PolarHBondContact O-N 2.71Å |
| 132 | V | 93.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 177 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | E128 K129 N134 N135 L137 | E128-V132 WeakPolarHBondContact O-CG2 3.29Å; E128-V132 PolarHBondContact O-N 3.15Å; K129-V132 PolarHBondContact O-N 3.28Å; V132-N134 VanDerWaalsContact C-N 3.27Å; V132-N134 PolarHBondContact O-N 3Å; V132-N135 PolarHBondContact O-N 3.45Å; V132-N135 VanDerWaalsContact O-N 3.17Å; V132-L137 HydrophobicContact CG2-CB 4.32Å; V132-L137 HydrophobicContact CG2-CD2 4.25Å; V132-L137 HydrophobicContact CG2-CG 4.38Å |
| 133 | Q | 94.3 | Very high | 93.8 | Very high | 134 Ų | 134 | 51.2 Ų | 51.2 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.4 | -28.5 | 179.6 | -76.3 | -179.2 | -47.2 | 0 | 0 | 113.9 | K129 S130 | K129-Q133 HydrophobicContact CG-CG 4.43Å; K129-Q133 WeakPolarHBondContact O-CB 3.28Å; K129-Q133 VanDerWaalsContact O-CG 3.23Å; K129-Q133 WeakPolarHBondContact O-CG 3.44Å; K129-Q133 PolarHBondContact O-N 2.92Å; S130-Q133 PolarHBondContact O-N 3.23Å |
| 134 | N | 93.4 | Very high | 93.7 | Very high | 71 Ų | 71 | 52 Ų | 52 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 19.6 | 178.4 | -65.5 | -87.3 | 0 | 0 | 0 | 112.6 | H92 S130 L131 V132 C136 | H92-N134 PolarHBondContact CE1-OD1 3.37Å; H92-N134 VanDerWaalsContact ND1-CG 3.31Å; H92-N134 PolarHBondContact ND1-ND2 3.17Å; S130-N134 PolarHBondContact O-N 2.93Å; S130-N134 VanDerWaalsContact O-N 3.13Å; S130-N134 PolarHBondContact O-ND2 3.07Å; L131-N134 PolarHBondContact O-N 2.89Å; V132-N134 VanDerWaalsContact C-N 3.27Å; V132-N134 PolarHBondContact O-N 3Å; N134-C136 PolarHBondContact O-N 3.33Å; N134-C136 PolarHBondContact O-SG 2.94Å; N134-C136 VanDerWaalsContact O-SG 3.34Å |
| 135 | N | 91.8 | Very high | 93.4 | Very high | 154 Ų | 154 | 52.3 Ų | 52.3 | 82% | 0.824 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 18.5 | -177.5 | -63.9 | -63.5 | 0 | 0 | 0 | 114.9 | L131 V132 | L131-N135 PolarHBondContact O-N 3.25Å; V132-N135 PolarHBondContact O-N 3.45Å; V132-N135 VanDerWaalsContact O-N 3.17Å |
| 136 | C | 89.9 | Confident | 93 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -84.6 | -10.2 | -179.8 | -71.3 | 0 | 0 | 0 | 0 | 113.1 | L131 N134 | L131-C136 HydrophobicContact CB-CB 4.33Å; L131-C136 HydrophobicContact CD2-CB 3.54Å; L131-C136 WeakPolarHBondContact O-CA 3.49Å; L131-C136 WeakPolarHBondContact O-CB 3.17Å; L131-C136 PolarHBondContact O-N 2.93Å; N134-C136 PolarHBondContact O-N 3.33Å; N134-C136 PolarHBondContact O-SG 2.94Å; N134-C136 VanDerWaalsContact O-SG 3.34Å |
| 137 | L | 90.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -143.2 | 113.5 | 173.1 | 178.2 | 63.7 | 0 | 0 | 0 | 109.6 | L76 P77 E128 L131 V132 | L76-L137 HydrophobicContact CD2-CD2 4.04Å; P77-L137 HydrophobicContact CG-CD1 4.33Å; E128-L137 HydrophobicContact CG-CD2 3.86Å; L131-L137 HydrophobicContact CB-CB 3.73Å; L131-L137 HydrophobicContact CB-CD2 4.43Å; L131-L137 PolarHBondContact O-N 2.71Å; V132-L137 HydrophobicContact CG2-CB 4.32Å; V132-L137 HydrophobicContact CG2-CD2 4.25Å; V132-L137 HydrophobicContact CG2-CG 4.38Å |
| 138 | S | 87.6 | Confident | 92.3 | Very high | 105 Ų | 105 | 56.7 Ų | 56.7 | 73% | 0.734 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -93.1 | 124 | 175.8 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 139 | R | 89.3 | Confident | 92.1 | Very high | 105 Ų | 105 | 60.4 Ų | 60.4 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 133.7 | 173.4 | -68.6 | 174.6 | 172.7 | -160.5 | 0.6 | 110.4 | E128 N141 Q164 | E128-R139 IonicContact OE1-CZ 3.94Å; E128-R139 IonicContact OE1-NE 3.02Å; E128-R139 PolarHBondContact OE1-NE 3.43Å; E128-R139 IonicContact OE1-NH2 3.96Å; E128-R139 PolarHBondContact OE1-NH2 3.3Å; E128-R139 IonicContact OE2-NH2 3.26Å; E128-R139 PolarHBondContact OE2-NH2 3.21Å; R139-N141 PolarHBondContact O-N 3.22Å; R139-Q164 WeakPolarHBondContact CD-O 3.3Å; R139-Q164 VanDerWaalsContact CZ-OE1 3.28Å; R139-Q164 VanDerWaalsContact NH2-CD 3.27Å |
| 140 | P | 92.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 7% | 0.071 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 131.5 | -179.5 | -25.8 | 36.3 | 0 | 0 | 0 | 113.7 | I142 G165 T166 W241 W251 | P140-I142 HydrophobicContact CB-CD1 3.9Å; P140-I142 HydrophobicContact CB-CG1 3.89Å; P140-G165 CarbonylContact O-C 3.55Å; P140-G165 WeakPolarHBondContact O-CA 3.43Å; P140-T166 PolarHBondContact O-N 2.83Å; P140-W241 HydrophobicContact CB-CH2 3.92Å; P140-W241 HydrophobicContact CG-CH2 3.85Å; P140-W251 HydrophobicContact CB-CH2 4.33Å; P140-W251 HydrophobicContact CB-CZ3 4.46Å; P140-W251 HydrophobicContact CG-CD2 3.94Å; P140-W251 HydrophobicContact CG-CE3 3.95Å; P140-W251 HydrophobicContact CG-CH2 4Å; P140-W251 HydrophobicContact CG-CZ2 3.98Å; P140-W251 HydrophobicContact CG-CZ3 3.99Å |
| 141 | N | 93.4 | Very high | 91.5 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 15% | 0.15 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 118.2 | 162.3 | -169.5 | 28.9 | 0 | 0 | 0 | 109.8 | R139 T166 N173 S175 H176 | R139-N141 PolarHBondContact O-N 3.22Å; N141-T166 WeakPolarHBondContact CA-OG1 3.48Å; N141-T166 WeakPolarHBondContact CB-OG1 3.46Å; N141-T166 VanDerWaalsContact CG-OG1 3.25Å; N141-T166 PolarHBondContact OD1-OG1 3.05Å; N141-N173 PolarHBondContact ND2-O 2.97Å; N141-S175 PolarHBondContact N-OG 3.36Å; N141-S175 PolarHBondContact O-N 3.43Å; N141-S175 PolarHBondContact O-OG 3.31Å; N141-H176 PolarHBondContact O-N 2.9Å |
| 142 | I | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.3 | -162.1 | -63.7 | 163.5 | 0 | 0 | 0 | 110.8 | P140 L144 I160 T166 V167 T168 H176 V178 W241 W251 | P140-I142 HydrophobicContact CB-CD1 3.9Å; P140-I142 HydrophobicContact CB-CG1 3.89Å; I142-L144 HydrophobicContact CG2-CD2 3.9Å; I142-L144 HydrophobicContact CG2-CG 4.28Å; I142-I160 HydrophobicContact CB-CD1 4.1Å; I142-I160 HydrophobicContact CD1-CB 4.46Å; I142-I160 HydrophobicContact CD1-CD1 3.74Å; I142-I160 HydrophobicContact CD1-CG1 3.66Å; I142-I160 HydrophobicContact CD1-CG2 3.99Å; I142-I160 HydrophobicContact CG2-CD1 3.85Å; I142-T166 PolarHBondContact N-O 3.36Å; I142-V167 WeakPolarHBondContact O-CA 3.33Å; I142-T168 PolarHBondContact O-N 2.94Å; I142-H176 HydrophobicContact CG1-CB 4.29Å; I142-V178 HydrophobicContact CG2-CB 4.38Å; I142-V178 HydrophobicContact CG2-CG2 3.6Å; I142-W241 HydrophobicContact CD1-CH2 4.38Å; I142-W241 HydrophobicContact CD1-CZ3 3.76Å; I142-W241 HydrophobicContact CG1-CZ3 4.2Å; I142-W251 HydrophobicContact CD1-CH2 3.99Å; I142-W251 HydrophobicContact CD1-CZ3 4.2Å |
| 143 | F | 94.9 | Very high | 91.3 | Very high | 37 Ų | 37 | 68.4 Ų | 68.4 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130 | 164.5 | 177.5 | -87.3 | 0 | 0 | 0 | 109.4 | T168 E169 K171 A174 H176 V177 V178 | F143-T168 HydrophobicContact CB-CG2 4.17Å; F143-E169 WeakPolarHBondContact CE2-O 3.26Å; F143-K171 HydrophobicContact CD1-CG 4.43Å; F143-K171 HydrophobicContact CD2-CB 4.08Å; F143-K171 HydrophobicContact CE2-CB 4.17Å; F143-K171 HydrophobicContact CG-CB 4.29Å; F143-K171 HydrophobicContact CG-CG 4.47Å; F143-K171 HydrophobicContact CZ-CB 4.46Å; F143-A174 HydrophobicContact CB-CB 3.78Å; F143-H176 PolarHBondContact N-O 3.44Å; F143-V177 HydrophobicContact CB-CG2 4.43Å; F143-V177 HydrophobicContact CD1-CG1 4.07Å; F143-V178 PolarHBondContact O-N 3.21Å |
| 144 | L | 94.5 | Very high | 91.3 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.2 | 178.5 | -63.3 | 171.4 | 0 | 0 | 0 | 109.4 | I142 L153 L156 K157 I160 V167 V178 I242 | I142-L144 HydrophobicContact CG2-CD2 3.9Å; I142-L144 HydrophobicContact CG2-CG 4.28Å; L144-L153 HydrophobicContact CB-CD1 3.71Å; L144-L153 HydrophobicContact CD1-CD1 3.78Å; L144-L153 HydrophobicContact CG-CD1 4.31Å; L144-L156 HydrophobicContact CD2-CB 4.41Å; L144-L156 HydrophobicContact CD2-CD1 4.25Å; L144-K157 HydrophobicContact CD1-CD 4.46Å; L144-K157 HydrophobicContact CD1-CG 3.62Å; L144-I160 HydrophobicContact CD1-CD1 4.27Å; L144-I160 HydrophobicContact CD2-CD1 4.07Å; L144-I160 HydrophobicContact CG-CD1 4.44Å; L144-V167 HydrophobicContact CD1-CG1 4.25Å; L144-V178 HydrophobicContact CD2-CB 3.99Å; L144-V178 HydrophobicContact CD2-CG1 4.11Å; L144-V178 HydrophobicContact CD2-CG2 4.46Å; L144-I242 HydrophobicContact CD2-CD1 4.1Å |
| 145 | C | 90.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 64.7 Ų | 64.7 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 136.3 | -179.7 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | E147 I148 V178 | C145-E147 PolarHBondContact O-N 3.37Å; C145-I148 WeakPolarHBondContact O-CG1 3.44Å; C145-I148 PolarHBondContact O-N 2.91Å; C145-V178 VanDerWaalsContact CB-O 3.27Å; C145-V178 WeakPolarHBondContact CB-O 3.35Å; C145-V178 PolarHBondContact N-O 2.87Å; C145-V178 PolarHBondContact SG-O 2.88Å; C145-V178 VanDerWaalsContact SG-O 3.39Å |
| 146 | P | 87.8 | Confident | 91.5 | Very high | 117 Ų | 117 | 57.3 Ų | 57.3 | 76% | 0.76 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -12.2 | 179.5 | -27.1 | 35.6 | 0 | 0 | 0 | 116.2 | I148 | P146-I148 VanDerWaalsContact C-N 3.25Å; P146-I148 PolarHBondContact O-N 3.33Å |
| 147 | E | 87.5 | Confident | 91.7 | Very high | 114 Ų | 114 | 60 Ų | 60 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -7.2 | 179.3 | -60.3 | 174.9 | -165.8 | 0 | 0 | 113.7 | C145 P180 K263 | C145-E147 PolarHBondContact O-N 3.37Å; E147-P180 HydrophobicContact CB-CG 3.73Å; E147-K263 IonicContact OE1-NZ 2.83Å; E147-K263 PolarHBondContact OE1-NZ 2.87Å; E147-K263 IonicContact OE2-NZ 2.74Å; E147-K263 PolarHBondContact OE2-NZ 2.84Å |
| 148 | I | 90.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -76.2 | 133.7 | 178.8 | -64.2 | 171.6 | 0 | 0 | 0 | 109.9 | C145 P146 L152 L153 L156 V178 P180 | C145-I148 WeakPolarHBondContact O-CG1 3.44Å; C145-I148 PolarHBondContact O-N 2.91Å; P146-I148 VanDerWaalsContact C-N 3.25Å; P146-I148 PolarHBondContact O-N 3.33Å; I148-L152 HydrophobicContact CG2-CB 4.04Å; I148-L152 HydrophobicContact CG2-CD2 4.01Å; I148-L152 HydrophobicContact CG2-CG 3.87Å; I148-L153 HydrophobicContact CB-CD1 4.31Å; I148-L153 HydrophobicContact CG2-CB 4.17Å; I148-L153 HydrophobicContact CG2-CD1 4.35Å; I148-L156 HydrophobicContact CD1-CD1 4.02Å; I148-L156 HydrophobicContact CG2-CD1 3.94Å; I148-V178 HydrophobicContact CD1-CG1 4.21Å; I148-P180 HydrophobicContact CG1-CB 4.5Å; I148-P180 HydrophobicContact CG1-CG 3.95Å |
| 149 | E | 90.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | trans | -52.6 | 131.2 | 178.2 | -173.4 | -169.2 | 165.7 | 0 | 0 | 110.7 | K151 L152 L153 | E149-K151 PolarHBondContact O-N 2.95Å; E149-K151 WeakPolarHBondContact OE1-CG 3.3Å; E149-K151 IonicContact OE1-NZ 3.5Å; E149-K151 PolarHBondContact OE1-NZ 2.98Å; E149-L152 HydrophobicContact CB-CB 4.36Å; E149-L152 CarbonylContact O-C 3.59Å; E149-L152 WeakPolarHBondContact O-CA 3.33Å; E149-L152 WeakPolarHBondContact O-CB 3.48Å; E149-L152 PolarHBondContact O-N 2.86Å; E149-L153 PolarHBondContact O-N 2.85Å | ||
| 150 | P | 89.3 | Confident | 92.6 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 70% | 0.695 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -52.9 | -32.4 | -176.6 | -31.3 | 36.3 | 0 | 0 | 0 | 115.5 | L153 G154 | P150-L153 PolarHBondContact O-N 2.83Å; P150-G154 PolarHBondContact O-N 3.01Å; P150-G154 VanDerWaalsContact O-N 3.1Å |
| 151 | K | 89.7 | Confident | 92.7 | Very high | 164 Ų | 164 | 61.1 Ų | 61.1 | 71% | 0.713 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.8 | -42.2 | 174.7 | -55.7 | -163.1 | -159.4 | 90.4 | 0 | 112.4 | E149 K155 | E149-K151 PolarHBondContact O-N 2.95Å; E149-K151 WeakPolarHBondContact OE1-CG 3.3Å; E149-K151 IonicContact OE1-NZ 3.5Å; E149-K151 PolarHBondContact OE1-NZ 2.98Å; K151-K155 PolarHBondContact O-N 3.31Å |
| 152 | L | 92.5 | Very high | 92.7 | Very high | 45 Ų | 45 | 66 Ų | 66 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 175.5 | 177.8 | 56.8 | 0 | 0 | 0 | 110.2 | I148 E149 G154 K155 L156 L243 | I148-L152 HydrophobicContact CG2-CB 4.04Å; I148-L152 HydrophobicContact CG2-CD2 4.01Å; I148-L152 HydrophobicContact CG2-CG 3.87Å; E149-L152 HydrophobicContact CB-CB 4.36Å; E149-L152 CarbonylContact O-C 3.59Å; E149-L152 WeakPolarHBondContact O-CA 3.33Å; E149-L152 WeakPolarHBondContact O-CB 3.48Å; E149-L152 PolarHBondContact O-N 2.86Å; L152-G154 VanDerWaalsContact C-N 3.28Å; L152-G154 PolarHBondContact O-N 3.14Å; L152-K155 PolarHBondContact O-N 3.38Å; L152-K155 VanDerWaalsContact O-N 3.09Å; L152-L156 HydrophobicContact CD1-CD1 4.35Å; L152-L156 HydrophobicContact CD1-CD2 4.18Å; L152-L156 HydrophobicContact CD1-CG 3.98Å; L152-L156 HydrophobicContact CG-CD1 4.01Å; L152-L156 HydrophobicContact CG-CG 4.14Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.34Å; L152-L156 PolarHBondContact O-N 3.31Å; L152-L243 HydrophobicContact CD1-CD1 4.16Å; L152-L243 HydrophobicContact CD1-CD2 4.01Å; L152-L243 HydrophobicContact CD1-CG 4.5Å |
| 153 | L | 93 | Very high | 92.6 | Very high | 44 Ų | 44 | 66.3 Ų | 66.3 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55 | -42.1 | 176.8 | -169.5 | 75.4 | 0 | 0 | 0 | 112.2 | L144 I148 E149 P150 L156 K157 | L144-L153 HydrophobicContact CB-CD1 3.71Å; L144-L153 HydrophobicContact CD1-CD1 3.78Å; L144-L153 HydrophobicContact CG-CD1 4.31Å; I148-L153 HydrophobicContact CB-CD1 4.31Å; I148-L153 HydrophobicContact CG2-CB 4.17Å; I148-L153 HydrophobicContact CG2-CD1 4.35Å; E149-L153 PolarHBondContact O-N 2.85Å; P150-L153 PolarHBondContact O-N 2.83Å; L153-L156 PolarHBondContact O-N 3.13Å; L153-K157 WeakPolarHBondContact O-CG 3.34Å; L153-K157 PolarHBondContact O-N 2.97Å; L153-K157 VanDerWaalsContact O-N 3.08Å |
| 154 | G | 92.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 67.7 Ų | 67.7 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.8 | -56.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | P150 L152 L156 K157 D158 | P150-G154 PolarHBondContact O-N 3.01Å; P150-G154 VanDerWaalsContact O-N 3.1Å; L152-G154 VanDerWaalsContact C-N 3.28Å; L152-G154 PolarHBondContact O-N 3.14Å; G154-L156 VanDerWaalsContact C-N 3.28Å; G154-L156 PolarHBondContact O-N 2.89Å; G154-K157 PolarHBondContact O-N 3.2Å; G154-K157 VanDerWaalsContact O-N 3.09Å; G154-D158 PolarHBondContact O-N 2.83Å; G154-D158 VanDerWaalsContact O-N 3.07Å |
| 155 | K | 94.9 | Very high | 92.4 | Very high | 94 Ų | 94 | 67.4 Ų | 67.4 | 41% | 0.409 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.1 | -42.6 | 178.7 | -158.8 | -155.5 | 177.4 | -148.2 | 0 | 112.1 | K151 L152 D158 I159 L243 D246 | K151-K155 PolarHBondContact O-N 3.31Å; L152-K155 PolarHBondContact O-N 3.38Å; L152-K155 VanDerWaalsContact O-N 3.09Å; K155-D158 PolarHBondContact O-N 3.38Å; K155-I159 HydrophobicContact CD-CD1 3.93Å; K155-I159 HydrophobicContact CG-CD1 3.96Å; K155-I159 WeakPolarHBondContact O-CD1 3.48Å; K155-I159 WeakPolarHBondContact O-CG1 3.1Å; K155-I159 PolarHBondContact O-N 2.86Å; K155-L243 HydrophobicContact CD-CD2 4.01Å; K155-D246 WeakPolarHBondContact CE-OD2 3.42Å; K155-D246 IonicContact NZ-OD2 3.88Å; K155-D246 PolarHBondContact NZ-OD2 3.28Å |
| 156 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 178.7 | -65.9 | 175.1 | 0 | 0 | 0 | 111.9 | L144 I148 L152 L153 G154 D158 I159 I160 A239 I242 L243 | L144-L156 HydrophobicContact CD2-CB 4.41Å; L144-L156 HydrophobicContact CD2-CD1 4.25Å; I148-L156 HydrophobicContact CD1-CD1 4.02Å; I148-L156 HydrophobicContact CG2-CD1 3.94Å; L152-L156 HydrophobicContact CD1-CD1 4.35Å; L152-L156 HydrophobicContact CD1-CD2 4.18Å; L152-L156 HydrophobicContact CD1-CG 3.98Å; L152-L156 HydrophobicContact CG-CD1 4.01Å; L152-L156 HydrophobicContact CG-CG 4.14Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.34Å; L152-L156 PolarHBondContact O-N 3.31Å; L153-L156 PolarHBondContact O-N 3.13Å; G154-L156 VanDerWaalsContact C-N 3.28Å; G154-L156 PolarHBondContact O-N 2.89Å; L156-D158 VanDerWaalsContact C-N 3.35Å; L156-D158 PolarHBondContact O-N 3.23Å; L156-I159 PolarHBondContact O-N 3.34Å; L156-I160 WeakPolarHBondContact O-CG1 3.48Å; L156-I160 PolarHBondContact O-N 2.92Å; L156-A239 HydrophobicContact CD1-CB 3.87Å; L156-A239 HydrophobicContact CD2-CB 4.28Å; L156-I242 HydrophobicContact CB-CD1 4.45Å; L156-I242 HydrophobicContact CB-CG2 4.5Å; L156-I242 HydrophobicContact CD2-CB 3.67Å; L156-I242 HydrophobicContact CD2-CD1 3.97Å; L156-I242 HydrophobicContact CD2-CG1 4.43Å; L156-I242 HydrophobicContact CD2-CG2 3.57Å; L156-L243 HydrophobicContact CD2-CD2 4.16Å; L156-L243 HydrophobicContact CD2-CG 4.18Å |
| 157 | K | 94.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 68 Ų | 68 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.4 | -73 | -174.8 | 177.4 | -168.8 | 0 | 112 | L144 L153 G154 K161 V167 | L144-K157 HydrophobicContact CD1-CD 4.46Å; L144-K157 HydrophobicContact CD1-CG 3.62Å; L153-K157 WeakPolarHBondContact O-CG 3.34Å; L153-K157 PolarHBondContact O-N 2.97Å; L153-K157 VanDerWaalsContact O-N 3.08Å; G154-K157 PolarHBondContact O-N 3.2Å; G154-K157 VanDerWaalsContact O-N 3.09Å; K157-K161 WeakPolarHBondContact O-CB 3.48Å; K157-K161 PolarHBondContact O-N 2.89Å; K157-K161 VanDerWaalsContact O-N 3.08Å; K157-V167 HydrophobicContact CG-CG2 4.46Å |
| 158 | D | 94.8 | Very high | 93.1 | Very high | 105 Ų | 105 | 63.4 Ų | 63.4 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 176.8 | -67.4 | -31.9 | 0 | 0 | 0 | 112.2 | G154 K155 L156 R162 | G154-D158 PolarHBondContact O-N 2.83Å; G154-D158 VanDerWaalsContact O-N 3.07Å; K155-D158 PolarHBondContact O-N 3.38Å; L156-D158 VanDerWaalsContact C-N 3.35Å; L156-D158 PolarHBondContact O-N 3.23Å; D158-R162 WeakPolarHBondContact O-CB 3.38Å; D158-R162 PolarHBondContact O-N 3.41Å |
| 159 | I | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -53 | 175.7 | -65.6 | 161.7 | 0 | 0 | 0 | 110.5 | K155 L156 K161 R162 H163 I242 L243 D246 | K155-I159 HydrophobicContact CD-CD1 3.93Å; K155-I159 HydrophobicContact CG-CD1 3.96Å; K155-I159 WeakPolarHBondContact O-CD1 3.48Å; K155-I159 WeakPolarHBondContact O-CG1 3.1Å; K155-I159 PolarHBondContact O-N 2.86Å; L156-I159 PolarHBondContact O-N 3.34Å; I159-K161 PolarHBondContact O-N 3.46Å; I159-R162 WeakPolarHBondContact O-CB 3.41Å; I159-R162 PolarHBondContact O-N 3.49Å; I159-H163 VanDerWaalsContact CG2-CD2 3.49Å; I159-H163 WeakPolarHBondContact CG2-CD2 3.32Å; I159-H163 PolarHBondContact O-CD2 2.9Å; I159-H163 PolarHBondContact O-N 2.89Å; I159-I242 HydrophobicContact CB-CG2 3.72Å; I159-I242 HydrophobicContact CD1-CG2 4.08Å; I159-I242 HydrophobicContact CG2-CG2 3.41Å; I159-I242 VanDerWaalsContact CG2-CG2 3.41Å; I159-L243 HydrophobicContact CD1-CD2 4.06Å; I159-D246 HydrophobicContact CD1-CB 3.75Å; I159-D246 HydrophobicContact CG1-CB 3.89Å; I159-D246 HydrophobicContact CG2-CB 3.82Å |
| 160 | I | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -53.5 | -45.8 | -179.8 | -68.6 | 165.9 | 0 | 0 | 0 | 110.6 | I142 L144 L156 R162 H163 Q164 G165 V167 I242 | I142-I160 HydrophobicContact CB-CD1 4.1Å; I142-I160 HydrophobicContact CD1-CB 4.46Å; I142-I160 HydrophobicContact CD1-CD1 3.74Å; I142-I160 HydrophobicContact CD1-CG1 3.66Å; I142-I160 HydrophobicContact CD1-CG2 3.99Å; I142-I160 HydrophobicContact CG2-CD1 3.85Å; L144-I160 HydrophobicContact CD1-CD1 4.27Å; L144-I160 HydrophobicContact CD2-CD1 4.07Å; L144-I160 HydrophobicContact CG-CD1 4.44Å; L156-I160 WeakPolarHBondContact O-CG1 3.48Å; L156-I160 PolarHBondContact O-N 2.92Å; I160-R162 PolarHBondContact O-N 3.44Å; I160-H163 PolarHBondContact O-N 3.42Å; I160-Q164 PolarHBondContact O-N 2.92Å; I160-G165 PolarHBondContact O-N 3.08Å; I160-V167 HydrophobicContact CB-CG2 4.24Å; I160-V167 HydrophobicContact CD1-CG2 3.92Å; I160-V167 HydrophobicContact CG2-CG2 3.79Å; I160-I242 HydrophobicContact CD1-CD1 3.83Å; I160-I242 HydrophobicContact CG1-CD1 4.07Å; I160-I242 HydrophobicContact CG1-CG1 4.44Å; I160-I242 HydrophobicContact CG1-CG2 4.28Å |
| 161 | K | 94.1 | Very high | 92.8 | Very high | 169 Ų | 169 | 69.6 Ų | 69.6 | 74% | 0.735 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.8 | -37.9 | 178.2 | -173.3 | 177.6 | 178.9 | -177.8 | 0 | 112.5 | K157 I159 Q164 | K157-K161 WeakPolarHBondContact O-CB 3.48Å; K157-K161 PolarHBondContact O-N 2.89Å; K157-K161 VanDerWaalsContact O-N 3.08Å; I159-K161 PolarHBondContact O-N 3.46Å; K161-Q164 PolarHBondContact O-N 3.09Å |
| 162 | R | 92.9 | Very high | 92.6 | Very high | 130 Ų | 130 | 68.7 Ų | 68.7 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 177.3 | -163 | -170.1 | -49.4 | 110.6 | -7.7 | 112.2 | D158 I159 I160 Q164 D246 | D158-R162 WeakPolarHBondContact O-CB 3.38Å; D158-R162 PolarHBondContact O-N 3.41Å; I159-R162 WeakPolarHBondContact O-CB 3.41Å; I159-R162 PolarHBondContact O-N 3.49Å; I160-R162 PolarHBondContact O-N 3.44Å; R162-Q164 PolarHBondContact O-N 2.71Å; R162-D246 IonicContact CZ-OD1 2.6Å; R162-D246 IonicContact NH1-OD1 3.21Å; R162-D246 PolarHBondContact NH1-OD1 2.97Å; R162-D246 IonicContact NH2-OD1 2.86Å |
| 163 | H | 93.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.028 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 20.1 | 178.3 | -55.8 | -73.6 | 0 | 0 | 0 | 113.3 | T74 I159 I160 G165 T245 N249 W251 | T74-H163 HydrophobicContact CG2-CB 4.27Å; T74-H163 WeakPolarHBondContact OG1-CA 3.37Å; T74-H163 PolarHBondContact OG1-ND1 2.75Å; I159-H163 VanDerWaalsContact CG2-CD2 3.49Å; I159-H163 WeakPolarHBondContact CG2-CD2 3.32Å; I159-H163 PolarHBondContact O-CD2 2.9Å; I159-H163 PolarHBondContact O-N 2.89Å; I160-H163 PolarHBondContact O-N 3.42Å; H163-G165 PolarHBondContact O-N 3.45Å; H163-T245 HydrophobicContact CB-CG2 4.33Å; H163-N249 PolarHBondContact CE1-OD1 3.35Å; H163-N249 PolarHBondContact ND1-OD1 3.03Å; H163-W251 HydrophobicContact CB-CH2 4.32Å; H163-W251 HydrophobicContact CB-CZ2 3.56Å; H163-W251 WeakPolarHBondContact O-CZ2 3.42Å; H163-W251 PolarHBondContact O-NE1 3.12Å; H163-W251 VanDerWaalsContact O-NE1 3.15Å |
| 164 | Q | 92.1 | Very high | 92.3 | Very high | 67 Ų | 67 | 70.2 Ų | 70.2 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 20.7 | 173.5 | -53 | -174.8 | 80 | 0 | 0 | 115.9 | E128 R139 I160 K161 R162 | E128-Q164 PolarHBondContact OE1-NE2 3.25Å; E128-Q164 PolarHBondContact OE2-NE2 3.37Å; R139-Q164 WeakPolarHBondContact CD-O 3.3Å; R139-Q164 VanDerWaalsContact CZ-OE1 3.28Å; R139-Q164 VanDerWaalsContact NH2-CD 3.27Å; I160-Q164 PolarHBondContact O-N 2.92Å; K161-Q164 PolarHBondContact O-N 3.09Å; R162-Q164 PolarHBondContact O-N 2.71Å |
| 165 | G | 92.6 | Very high | 92.2 | Very high | 11 Ų | 11 | 70 Ų | 70 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | trans | -79.1 | 165.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P140 I160 H163 | P140-G165 CarbonylContact O-C 3.55Å; P140-G165 WeakPolarHBondContact O-CA 3.43Å; I160-G165 PolarHBondContact O-N 3.08Å; H163-G165 PolarHBondContact O-N 3.45Å | ||
| 166 | T | 94.4 | Very high | 92.1 | Very high | 78 Ų | 78 | 66.4 Ų | 66.4 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 151.3 | 175.7 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | P140 N141 I142 | P140-T166 PolarHBondContact O-N 2.83Å; N141-T166 WeakPolarHBondContact CA-OG1 3.48Å; N141-T166 WeakPolarHBondContact CB-OG1 3.46Å; N141-T166 VanDerWaalsContact CG-OG1 3.25Å; N141-T166 PolarHBondContact OD1-OG1 3.05Å; I142-T166 PolarHBondContact N-O 3.36Å |
| 167 | V | 94.1 | Very high | 92 | Very high | 62 Ų | 62 | 66.4 Ų | 66.4 | 38% | 0.376 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | I142 L144 K157 I160 | I142-V167 WeakPolarHBondContact O-CA 3.33Å; L144-V167 HydrophobicContact CD1-CG1 4.25Å; K157-V167 HydrophobicContact CG-CG2 4.46Å; I160-V167 HydrophobicContact CB-CG2 4.24Å; I160-V167 HydrophobicContact CD1-CG2 3.92Å; I160-V167 HydrophobicContact CG2-CG2 3.79Å |
| 168 | T | 92.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | trans | -114.8 | 141.8 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 111 | I142 F143 D170 A174 | I142-T168 PolarHBondContact O-N 2.94Å; F143-T168 HydrophobicContact CB-CG2 4.17Å; T168-D170 VanDerWaalsContact CG2-O 3.26Å; T168-D170 WeakPolarHBondContact CG2-O 3.39Å; T168-D170 PolarHBondContact OG1-N 2.88Å; T168-D170 VanDerWaalsContact OG1-N 3.17Å; T168-D170 PolarHBondContact OG1-O 3.17Å; T168-A174 HydrophobicContact CG2-CB 3.81Å | ||
| 169 | E | 89.1 | Confident | 91.8 | Very high | 178 Ų | 178 | 58 Ų | 58 | 83% | 0.832 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -89.9 | -18.6 | 172.3 | -59.2 | -170.1 | 158.3 | 0 | 0 | 112 | F143 | F143-E169 WeakPolarHBondContact CE2-O 3.26Š|
| 170 | D | 87.3 | Confident | 91.6 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | trans | -87.2 | 128.6 | 167.3 | 176.6 | 26.5 | 0 | 0 | 0 | 110.5 | T168 N172 N173 | T168-D170 VanDerWaalsContact CG2-O 3.26Å; T168-D170 WeakPolarHBondContact CG2-O 3.39Å; T168-D170 PolarHBondContact OG1-N 2.88Å; T168-D170 VanDerWaalsContact OG1-N 3.17Å; T168-D170 PolarHBondContact OG1-O 3.17Å; D170-N172 WeakPolarHBondContact OD1-CB 3.36Å; D170-N172 PolarHBondContact OD1-N 2.83Å; D170-N173 HydrophobicContact CB-CB 4.35Å; D170-N173 WeakPolarHBondContact OD2-CB 3.2Å; D170-N173 PolarHBondContact OD2-N 3.45Å; D170-N173 VanDerWaalsContact OD2-N 3.08Å | ||
| 171 | K | 87.9 | Confident | 91.2 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -72.4 | -29.5 | 175.5 | -171.9 | -176.2 | 178 | -175.3 | 0 | 112.1 | F143 A174 V177 | F143-K171 HydrophobicContact CD1-CG 4.43Å; F143-K171 HydrophobicContact CD2-CB 4.08Å; F143-K171 HydrophobicContact CE2-CB 4.17Å; F143-K171 HydrophobicContact CG-CB 4.29Å; F143-K171 HydrophobicContact CG-CG 4.47Å; F143-K171 HydrophobicContact CZ-CB 4.46Å; K171-A174 VanDerWaalsContact O-CB 3.3Å; K171-A174 WeakPolarHBondContact O-CB 3.36Å; K171-A174 PolarHBondContact O-N 2.88Å; K171-V177 HydrophobicContact CG-CG2 3.82Å |
| 172 | N | 85.6 | Confident | 90.7 | Very high | 144 Ų | 144 | 55.6 Ų | 55.6 | 77% | 0.77 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -34.2 | -175.5 | -58.8 | -36.6 | 0 | 0 | 0 | 112.1 | D170 A174 | D170-N172 WeakPolarHBondContact OD1-CB 3.36Å; D170-N172 PolarHBondContact OD1-N 2.83Å; N172-A174 PolarHBondContact O-N 3.33Å |
| 173 | N | 87.8 | Confident | 89.7 | Confident | 111 Ų | 111 | 53.8 Ų | 53.8 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.4 | 172.5 | -165.8 | 28.4 | 0 | 0 | 0 | 113.9 | N141 D170 | N141-N173 PolarHBondContact ND2-O 2.97Å; D170-N173 HydrophobicContact CB-CB 4.35Å; D170-N173 WeakPolarHBondContact OD2-CB 3.2Å; D170-N173 PolarHBondContact OD2-N 3.45Å; D170-N173 VanDerWaalsContact OD2-N 3.08Å |
| 174 | A | 91 | Very high | 88.4 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | trans | -76.5 | 145.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | F143 T168 K171 N172 V177 | F143-A174 HydrophobicContact CB-CB 3.78Å; T168-A174 HydrophobicContact CG2-CB 3.81Å; K171-A174 VanDerWaalsContact O-CB 3.3Å; K171-A174 WeakPolarHBondContact O-CB 3.36Å; K171-A174 PolarHBondContact O-N 2.88Å; N172-A174 PolarHBondContact O-N 3.33Å; A174-V177 HydrophobicContact CB-CG2 4.4Å | ||
| 175 | S | 90.1 | Very high | 87.4 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -85.1 | -31.5 | 162.1 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | N141 P234 R235 | N141-S175 PolarHBondContact N-OG 3.36Å; N141-S175 PolarHBondContact O-N 3.43Å; N141-S175 PolarHBondContact O-OG 3.31Å; S175-P234 WeakPolarHBondContact O-CA 3.35Å; S175-R235 PolarHBondContact O-N 2.77Å |
| 176 | H | 92.5 | Very high | 85.9 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.5 | -176.1 | -64.5 | 88.3 | 0 | 0 | 0 | 110.4 | N141 I142 F143 R235 I237 | N141-H176 PolarHBondContact O-N 2.9Å; I142-H176 HydrophobicContact CG1-CB 4.29Å; F143-H176 PolarHBondContact N-O 3.44Å; H176-R235 WeakPolarHBondContact CA-O 3.42Å; H176-I237 HydrophobicContact CB-CD1 4.06Å; H176-I237 HydrophobicContact CB-CG1 4.41Å |
| 177 | V | 93.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.4 | 173.1 | 174.9 | 0 | 0 | 0 | 0 | 107.6 | F143 K171 A174 Y179 P234 R235 I237 | F143-V177 HydrophobicContact CB-CG2 4.43Å; F143-V177 HydrophobicContact CD1-CG1 4.07Å; K171-V177 HydrophobicContact CG-CG2 3.82Å; A174-V177 HydrophobicContact CB-CG2 4.4Å; V177-Y179 HydrophobicContact CB-CE2 4.28Å; V177-Y179 HydrophobicContact CG1-CD2 4.19Å; V177-Y179 HydrophobicContact CG1-CE2 3.48Å; V177-Y179 VanDerWaalsContact CG1-CE2 3.48Å; V177-P234 HydrophobicContact CG2-CB 3.97Å; V177-P234 HydrophobicContact CG2-CG 4.03Å; V177-R235 PolarHBondContact N-O 3.34Å; V177-I237 PolarHBondContact O-N 3.24Å |
| 178 | V | 94 | Very high | 83.4 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.5 | -171.6 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | I142 F143 L144 C145 I148 I237 A239 I242 | I142-V178 HydrophobicContact CG2-CB 4.38Å; I142-V178 HydrophobicContact CG2-CG2 3.6Å; F143-V178 PolarHBondContact O-N 3.21Å; L144-V178 HydrophobicContact CD2-CB 3.99Å; L144-V178 HydrophobicContact CD2-CG1 4.11Å; L144-V178 HydrophobicContact CD2-CG2 4.46Å; C145-V178 VanDerWaalsContact CB-O 3.27Å; C145-V178 WeakPolarHBondContact CB-O 3.35Å; C145-V178 PolarHBondContact N-O 2.87Å; C145-V178 PolarHBondContact SG-O 2.88Å; C145-V178 VanDerWaalsContact SG-O 3.39Å; I148-V178 HydrophobicContact CD1-CG1 4.21Å; V178-I237 CarbonylContact C-O 3.54Å; V178-I237 VanDerWaalsContact CA-O 3.3Å; V178-I237 WeakPolarHBondContact CA-O 3.47Å; V178-I237 HydrophobicContact CG2-CD1 3.92Å; V178-I237 HydrophobicContact CG2-CG1 3.96Å; V178-A239 HydrophobicContact CG1-CB 3.79Å; V178-I242 HydrophobicContact CG1-CD1 4.1Å; V178-I242 HydrophobicContact CG2-CD1 4.07Å |
| 179 | Y | 92.6 | Very high | 82.9 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 8% | 0.078 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 163.5 | 177.6 | -69 | -94.2 | 0 | 0 | 0 | 112 | V177 K236 I237 H238 A239 V259 K263 | V177-Y179 HydrophobicContact CB-CE2 4.28Å; V177-Y179 HydrophobicContact CG1-CD2 4.19Å; V177-Y179 HydrophobicContact CG1-CE2 3.48Å; V177-Y179 VanDerWaalsContact CG1-CE2 3.48Å; Y179-K236 HydrophobicContact CE2-CB 3.98Å; Y179-K236 HydrophobicContact CE2-CG 4.28Å; Y179-I237 PolarHBondContact N-O 3.21Å; Y179-H238 WeakPolarHBondContact O-CA 3.37Å; Y179-A239 WeakPolarHBondContact O-CB 3.49Å; Y179-A239 PolarHBondContact O-N 3.49Å; Y179-V259 HydrophobicContact CD2-CG2 3.53Å; Y179-V259 HydrophobicContact CE2-CG2 4.12Å; Y179-V259 HydrophobicContact CG-CG2 3.98Å; Y179-K263 HydrophobicContact CD1-CD 4.03Å; Y179-K263 HydrophobicContact CD1-CG 3.77Å; Y179-K263 HydrophobicContact CE1-CD 4.33Å; Y179-K263 HydrophobicContact CE1-CG 3.96Å |
| 180 | P | 90.4 | Very high | 82.8 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 25% | 0.253 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -54 | 155.7 | 168.6 | -24.1 | 34.5 | 0 | 0 | 0 | 112.6 | E147 I148 P182 | E147-P180 HydrophobicContact CB-CG 3.73Å; I148-P180 HydrophobicContact CG1-CB 4.5Å; I148-P180 HydrophobicContact CG1-CG 3.95Å; P180-P182 WeakPolarHBondContact O-CD 3.47Å |
| 181 | V | 87 | Confident | 82.9 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 123.9 | 176.5 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | G183 A239 K240 | V181-G183 PolarHBondContact O-N 3.49Å; V181-A239 HydrophobicContact CG2-CB 4.05Å; V181-K240 HydrophobicContact CG2-CB 4.26Å |
| 182 | P | 83.9 | Confident | 82.9 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 133.4 | 177.5 | -27 | 36.5 | 0 | 0 | 0 | 112.3 | P180 N184 L185 H238 V259 P265 | P180-P182 WeakPolarHBondContact O-CD 3.47Å; P182-N184 PolarHBondContact O-N 2.9Å; P182-N184 VanDerWaalsContact O-N 3.14Å; P182-L185 HydrophobicContact CB-CD1 4.02Å; P182-L185 HydrophobicContact CG-CD1 4.14Å; P182-L185 PolarHBondContact O-N 2.78Å; P182-H238 HydrophobicContact CG-CB 4.43Å; P182-V259 HydrophobicContact CG-CG1 4.29Å; P182-P265 HydrophobicContact CB-CG 4.14Å; P182-P265 HydrophobicContact CG-CG 4.04Å |
| 183 | G | 71.1 | Confident | 83.1 | Confident | 93 Ų | 93 | 52.4 Ų | 52.4 | 96% | 0.959 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V181 | V181-G183 PolarHBondContact O-N 3.49Š|
| 184 | N | 66.5 | Low | 83 | Confident | 128 Ų | 128 | 49.4 Ų | 49.4 | 68% | 0.684 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 47 | 175.9 | -165.4 | 85.1 | 0 | 0 | 0 | 110.3 | P182 E186 | P182-N184 PolarHBondContact O-N 2.9Å; P182-N184 VanDerWaalsContact O-N 3.14Å; N184-E186 PolarHBondContact O-N 2.82Å |
| 185 | L | 72.6 | Confident | 82.7 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 20% | 0.204 | 29% | 0.29 | C | S | . | . | trans | -73.3 | 115.5 | 166.6 | -125.1 | 78.8 | 0 | 0 | 0 | 108.6 | P182 E187 Y207 K240 P265 | P182-L185 HydrophobicContact CB-CD1 4.02Å; P182-L185 HydrophobicContact CG-CD1 4.14Å; P182-L185 PolarHBondContact O-N 2.78Å; L185-E187 PolarHBondContact O-N 3.04Å; L185-Y207 HydrophobicContact CD2-CE1 4.32Å; L185-K240 HydrophobicContact CD2-CD 3.65Å; L185-P265 HydrophobicContact CD1-CG 3.92Å | ||
| 186 | E | 60.8 | Low | 82.3 | Confident | 146 Ų | 146 | 57 Ų | 57 | 68% | 0.682 | 31% | 0.306 | S | S | * | . | trans | -73.3 | 121.8 | 173.5 | -67.1 | 175.6 | 153.7 | 0 | 0 | 109.1 | N184 E188 | N184-E186 PolarHBondContact O-N 2.82Å; E186-E188 PolarHBondContact O-N 3.33Å; E186-E188 VanDerWaalsContact O-N 3.17Å | ||
| 187 | E | 63.1 | Low | 81.3 | Confident | 197 Ų | 197 | 58 Ų | 58 | 92% | 0.921 | 31% | 0.31 | S | S | * | . | trans | -78.9 | 18.7 | 179 | -61 | -174.7 | 145.1 | 0 | 0 | 112.9 | L185 E189 | L185-E187 PolarHBondContact O-N 3.04Å; E187-E189 PolarHBondContact O-N 3.31Å | ||
| 188 | E | 71.4 | Confident | 80.4 | Confident | 85 Ų | 85 | 64.4 Ų | 64.4 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | trans | -73.9 | 121 | 176.6 | 177.4 | 143.1 | -143 | 0 | 0 | 110.5 | E186 W190 S273 K275 | E186-E188 PolarHBondContact O-N 3.33Å; E186-E188 VanDerWaalsContact O-N 3.17Å; E188-W190 PolarHBondContact O-N 3.41Å; E188-S273 PolarHBondContact OE1-OG 3.24Å; E188-K275 VanDerWaalsContact CD-NZ 3.32Å; E188-K275 WeakPolarHBondContact OE1-CE 3.32Å; E188-K275 IonicContact OE1-NZ 2.74Å; E188-K275 PolarHBondContact OE1-NZ 3.19Å; E188-K275 IonicContact OE2-NZ 3.51Å | ||
| 189 | E | 82.9 | Confident | 79.8 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | trans | -64.7 | 129.5 | 172.1 | -60 | -162.8 | 140.5 | 0 | 0 | 110.2 | R4 E187 A274 | R4-E189 IonicContact CZ-OE1 2.73Å; R4-E189 VanDerWaalsContact CZ-OE1 3.22Å; R4-E189 IonicContact CZ-OE2 3.97Å; R4-E189 IonicContact NH1-OE1 3.76Å; R4-E189 PolarHBondContact NH1-OE1 2.74Å; R4-E189 IonicContact NH1-OE2 3.87Å; R4-E189 PolarHBondContact NH1-OE2 2.82Å; R4-E189 IonicContact NH2-OE1 3.86Å; R4-E189 PolarHBondContact NH2-OE1 3.47Å; R4-E189 IonicContact NH2-OE2 3.23Å; E187-E189 PolarHBondContact O-N 3.31Å; E189-A274 HydrophobicContact CB-CB 3.83Å; E189-A274 WeakPolarHBondContact O-CB 3.49Å; E189-A274 PolarHBondContact O-N 3.47Å | ||
| 190 | W | 87 | Confident | 79.3 | Confident | 17 Ų | 17 | 76.6 Ų | 76.6 | 6% | 0.064 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 160.7 | -179.5 | 62.6 | -88.4 | 0 | 0 | 0 | 110.7 | E188 R192 G206 Y207 D256 K271 I272 | E188-W190 PolarHBondContact O-N 3.41Å; W190-R192 HydrophobicContact CZ3-CB 4.18Å; W190-R192 HydrophobicContact CZ3-CG 3.84Å; W190-G206 VanDerWaalsContact CE2-CA 3.45Å; W190-G206 PolarHBondContact O-N 3.47Å; W190-Y207 AromaticContact NE1-CE2 3.89Å; W190-D256 WeakPolarHBondContact CH2-OD1 3.35Å; W190-D256 WeakPolarHBondContact CH2-OD2 3.31Å; W190-D256 HydrophobicContact CZ2-CB 4.45Å; W190-D256 VanDerWaalsContact CZ2-OD2 3.31Å; W190-D256 WeakPolarHBondContact CZ2-OD2 3.35Å; W190-K271 HydrophobicContact CB-CB 4.09Å; W190-K271 HydrophobicContact CD2-CB 4.04Å; W190-K271 HydrophobicContact CD2-CD 3.67Å; W190-K271 HydrophobicContact CD2-CG 3.7Å; W190-K271 HydrophobicContact CE3-CB 3.96Å; W190-K271 HydrophobicContact CE3-CD 4.1Å; W190-K271 HydrophobicContact CE3-CG 3.61Å; W190-K271 HydrophobicContact CG-CB 4.11Å; W190-K271 HydrophobicContact CG-CD 3.94Å; W190-K271 HydrophobicContact CG-CG 4.17Å; W190-K271 HydrophobicContact CZ2-CD 4.26Å; W190-K271 HydrophobicContact CZ3-CG 4.03Å; W190-I272 CarbonylContact C-O 3.46Å; W190-I272 WeakPolarHBondContact CA-O 3.32Å; W190-I272 WeakPolarHBondContact CB-O 3.47Å |
| 191 | V | 89.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 161.5 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | L203 H204 W205 I272 A274 L277 | V191-L203 HydrophobicContact CG2-CD1 4.23Å; V191-H204 WeakPolarHBondContact CA-O 3.23Å; V191-H204 WeakPolarHBondContact CB-O 3.47Å; V191-W205 HydrophobicContact CG1-CD2 3.65Å; V191-W205 HydrophobicContact CG1-CE3 3.5Å; V191-W205 VanDerWaalsContact CG1-CE3 3.5Å; V191-W205 HydrophobicContact CG1-CG 4.28Å; V191-W205 HydrophobicContact CG1-CH2 4.07Å; V191-W205 HydrophobicContact CG1-CZ2 4.2Å; V191-W205 HydrophobicContact CG1-CZ3 3.75Å; V191-I272 HydrophobicContact CG2-CB 4.13Å; V191-I272 HydrophobicContact CG2-CG2 4.38Å; V191-I272 PolarHBondContact N-O 3.41Å; V191-I272 PolarHBondContact O-N 3.39Å; V191-A274 HydrophobicContact CG1-CB 4.45Å; V191-L277 HydrophobicContact CG2-CD1 3.49Å; V191-L277 VanDerWaalsContact CG2-CD1 3.49Å |
| 192 | R | 88.7 | Confident | 79.2 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 2% | 0.019 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 144.1 | 169.9 | 58.3 | -179.7 | 163.6 | 128 | -5.6 | 112.2 | W190 V194 H204 N253 E255 D256 | W190-R192 HydrophobicContact CZ3-CB 4.18Å; W190-R192 HydrophobicContact CZ3-CG 3.84Å; R192-V194 HydrophobicContact CG-CG1 4.18Å; R192-V194 PolarHBondContact O-N 2.84Å; R192-H204 HydrophobicContact CG-CB 4.06Å; R192-H204 PolarHBondContact N-O 2.73Å; R192-H204 VanDerWaalsContact N-O 3.09Å; R192-H204 PolarHBondContact O-N 2.86Å; R192-N253 PolarHBondContact NH2-OD1 2.71Å; R192-N253 VanDerWaalsContact NH2-OD1 3.1Å; R192-E255 IonicContact CZ-OE2 3.89Å; R192-E255 IonicContact NH1-OE2 3.87Å; R192-E255 PolarHBondContact NH1-OE2 2.84Å; R192-E255 IonicContact NH2-OE2 2.94Å; R192-E255 PolarHBondContact NH2-OE2 2.83Å; R192-D256 IonicContact CZ-OD1 2.84Å; R192-D256 IonicContact NE-OD1 2.71Å; R192-D256 IonicContact NH2-OD1 2.72Å; R192-D256 PolarHBondContact NH2-OD1 2.8Å |
| 193 | P | 88.8 | Confident | 79.5 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 122.1 | 171.9 | -8.7 | 24 | 0 | 0 | 0 | 111.2 | V201 L203 I221 A223 | P193-V201 HydrophobicContact CB-CG1 3.83Å; P193-L203 HydrophobicContact CB-CD2 4.36Å; P193-L203 HydrophobicContact CG-CD2 4.38Å; P193-I221 HydrophobicContact CG-CD1 4.38Å; P193-A223 HydrophobicContact CG-CB 3.5Å |
| 194 | V | 86.3 | Confident | 80.4 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -15.1 | 179.9 | -67.1 | 0 | 0 | 0 | 0 | 113.9 | R192 L202 H204 | R192-V194 HydrophobicContact CG-CG1 4.18Å; R192-V194 PolarHBondContact O-N 2.84Å; V194-L202 HydrophobicContact CG2-CB 4.16Å; V194-L202 HydrophobicContact CG2-CD2 4.04Å; V194-L202 HydrophobicContact CG2-CG 3.86Å; V194-L202 WeakPolarHBondContact CG2-O 3.48Å; V194-L202 PolarHBondContact N-O 2.86Å; V194-H204 HydrophobicContact CB-CB 4.47Å; V194-H204 HydrophobicContact CG1-CB 3.55Å; V194-H204 HydrophobicContact CG2-CB 4.06Å |
| 195 | M | 83.3 | Confident | 81.6 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 36% | 0.36 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 147.7 | 173 | -159.4 | 179.9 | -65.5 | 0 | 0 | 110.3 | V201 L202 W215 | M195-V201 CarbonylContact O-C 3.52Å; M195-V201 WeakPolarHBondContact O-CA 3.44Å; M195-L202 HydrophobicContact CB-CB 3.84Å; M195-L202 HydrophobicContact CB-CD2 4.35Å; M195-L202 PolarHBondContact O-N 2.72Å; M195-W215 HydrophobicContact CB-CH2 4.18Å; M195-W215 HydrophobicContact CG-CH2 4.14Å; M195-W215 HydrophobicContact SD-CH2 3.73Å; M195-W215 HydrophobicContact SD-CZ2 4.09Å |
| 196 | K | 82.6 | Confident | 82.4 | Confident | 128 Ų | 128 | 59.6 Ų | 59.6 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.7 | 170.2 | 179.2 | 170 | -178.4 | 170.3 | 0 | 108.6 | Q200 V201 V225 | K196-Q200 WeakPolarHBondContact CA-O 3.28Å; K196-V201 HydrophobicContact CB-CG2 4.07Å; K196-V201 HydrophobicContact CD-CG2 4.15Å; K196-V201 HydrophobicContact CG-CG2 3.9Å; K196-V225 HydrophobicContact CB-CG2 3.31Å |
| 197 | R | 72.3 | Confident | 83.8 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 14% | 0.143 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 111.3 | -174.7 | -176.3 | 177.9 | -175.4 | 163.5 | 10.6 | 108.3 | D19 T20 Q23 K199 Q200 W215 | D19-R197 PolarHBondContact O-NH2 3.33Å; D19-R197 IonicContact OD2-CZ 3.33Å; D19-R197 IonicContact OD2-NE 2.71Å; D19-R197 PolarHBondContact OD2-NE 2.88Å; D19-R197 IonicContact OD2-NH1 3.22Å; D19-R197 IonicContact OD2-NH2 3.53Å; D19-R197 PolarHBondContact OD2-NH2 3.37Å; T20-R197 PolarHBondContact OG1-NH1 3.3Å; Q23-R197 VanDerWaalsContact NE2-NH2 3.11Å; R197-K199 PolarHBondContact O-N 3.06Å; R197-K199 VanDerWaalsContact O-N 3.1Å; R197-Q200 PolarHBondContact N-O 2.82Å; R197-Q200 WeakPolarHBondContact O-CA 3.46Å; R197-Q200 PolarHBondContact O-N 2.68Å; R197-Q200 VanDerWaalsContact O-O 3.12Å; R197-W215 HydrophobicContact CB-CH2 4.16Å; R197-W215 HydrophobicContact CB-CZ3 4.02Å |
| 198 | D | 73.9 | Confident | 85.2 | Confident | 133 Ų | 133 | 47 Ų | 47 | 71% | 0.711 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | -114.4 | -178.1 | -51.7 | -58.2 | 0 | 0 | 0 | 112.4 | ||
| 199 | K | 80.3 | Confident | 86.2 | Confident | 183 Ų | 183 | 43 Ų | 43 | 80% | 0.796 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 19.3 | 177.6 | -60.6 | -172.5 | 179.6 | -175.3 | 0 | 113.5 | R197 P217 A218 | R197-K199 PolarHBondContact O-N 3.06Å; R197-K199 VanDerWaalsContact O-N 3.1Å; K199-P217 CarbonylContact O-C 3.59Å; K199-P217 WeakPolarHBondContact O-CA 3.22Å; K199-A218 PolarHBondContact O-N 2.67Å |
| 200 | Q | 82.3 | Confident | 86.5 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155 | 178.9 | -64.4 | -173.1 | 4.3 | 0 | 0 | 113.3 | K196 R197 W215 I216 | K196-Q200 WeakPolarHBondContact CA-O 3.28Å; R197-Q200 PolarHBondContact N-O 2.82Å; R197-Q200 WeakPolarHBondContact O-CA 3.46Å; R197-Q200 PolarHBondContact O-N 2.68Å; R197-Q200 VanDerWaalsContact O-O 3.12Å; Q200-W215 HydrophobicContact CB-CE3 3.94Å; Q200-W215 HydrophobicContact CB-CZ3 4.34Å; Q200-I216 CarbonylContact C-O 3.54Å; Q200-I216 WeakPolarHBondContact CA-O 3.12Å; Q200-I216 WeakPolarHBondContact CB-O 3.32Å |
| 201 | V | 87.7 | Confident | 86.7 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.2 | 175.5 | 169.1 | 0 | 0 | 0 | 0 | 108.7 | P193 M195 K196 L203 W215 I216 A218 I221 | P193-V201 HydrophobicContact CB-CG1 3.83Å; M195-V201 CarbonylContact O-C 3.52Å; M195-V201 WeakPolarHBondContact O-CA 3.44Å; K196-V201 HydrophobicContact CB-CG2 4.07Å; K196-V201 HydrophobicContact CD-CG2 4.15Å; K196-V201 HydrophobicContact CG-CG2 3.9Å; V201-L203 HydrophobicContact CG1-CD2 3.94Å; V201-W215 WeakPolarHBondContact O-CA 3.41Å; V201-I216 HydrophobicContact CB-CG1 4.24Å; V201-I216 PolarHBondContact N-O 3.42Å; V201-I216 WeakPolarHBondContact O-CG1 3.43Å; V201-I216 PolarHBondContact O-N 2.81Å; V201-A218 HydrophobicContact CG2-CB 3.87Å; V201-I221 HydrophobicContact CB-CG2 4.16Å; V201-I221 HydrophobicContact CG1-CG2 3.92Å; V201-I221 HydrophobicContact CG2-CG2 4.23Å |
| 202 | L | 88.1 | Confident | 86.9 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121 | 169.7 | -174 | 58.6 | 0 | 0 | 0 | 109 | V194 M195 D213 W215 | V194-L202 HydrophobicContact CG2-CB 4.16Å; V194-L202 HydrophobicContact CG2-CD2 4.04Å; V194-L202 HydrophobicContact CG2-CG 3.86Å; V194-L202 WeakPolarHBondContact CG2-O 3.48Å; V194-L202 PolarHBondContact N-O 2.86Å; M195-L202 HydrophobicContact CB-CB 3.84Å; M195-L202 HydrophobicContact CB-CD2 4.35Å; M195-L202 PolarHBondContact O-N 2.72Å; L202-D213 HydrophobicContact CD1-CB 3.6Å; L202-D213 HydrophobicContact CD2-CB 4.42Å; L202-D213 HydrophobicContact CG-CB 3.99Å; L202-W215 HydrophobicContact CB-CD2 4.02Å; L202-W215 HydrophobicContact CB-CE3 3.92Å; L202-W215 HydrophobicContact CB-CH2 3.94Å; L202-W215 HydrophobicContact CB-CZ2 4.01Å; L202-W215 HydrophobicContact CB-CZ3 3.9Å; L202-W215 HydrophobicContact CD1-CD2 3.95Å; L202-W215 HydrophobicContact CD1-CG 3.94Å; L202-W215 HydrophobicContact CD1-CZ2 4.47Å; L202-W215 HydrophobicContact CD2-CZ2 4.06Å; L202-W215 HydrophobicContact CG-CZ2 4.42Å |
| 203 | L | 90.2 | Very high | 87 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.2 | 173.9 | -64.5 | -175.4 | 0 | 0 | 0 | 111.3 | A2 V191 P193 V201 D213 T214 I216 I221 L277 | A2-L203 HydrophobicContact CB-CD1 3.69Å; V191-L203 HydrophobicContact CG2-CD1 4.23Å; P193-L203 HydrophobicContact CB-CD2 4.36Å; P193-L203 HydrophobicContact CG-CD2 4.38Å; V201-L203 HydrophobicContact CG1-CD2 3.94Å; L203-D213 CarbonylContact O-C 3.49Å; L203-D213 WeakPolarHBondContact O-CA 3.42Å; L203-D213 VanDerWaalsContact O-CB 3.32Å; L203-D213 WeakPolarHBondContact O-CB 3.41Å; L203-T214 PolarHBondContact N-O 3.3Å; L203-T214 PolarHBondContact O-N 2.81Å; L203-I216 HydrophobicContact CD1-CD1 3.45Å; L203-I216 VanDerWaalsContact CD1-CD1 3.45Å; L203-I216 HydrophobicContact CD1-CG1 4.03Å; L203-I216 HydrophobicContact CD1-CG2 4.33Å; L203-I216 HydrophobicContact CD2-CD1 4.25Å; L203-I216 HydrophobicContact CG-CD1 3.78Å; L203-I216 HydrophobicContact CG-CG1 3.99Å; L203-I221 HydrophobicContact CD1-CD1 4.27Å; L203-I221 HydrophobicContact CD2-CD1 3.56Å; L203-I221 HydrophobicContact CD2-CG2 4.39Å; L203-L277 HydrophobicContact CD1-CD1 4.24Å |
| 204 | H | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 141.6 | 166.5 | -175.4 | 63.4 | 0 | 0 | 0 | 110.9 | V191 R192 V194 Y208 D210 D213 D256 | V191-H204 WeakPolarHBondContact CA-O 3.23Å; V191-H204 WeakPolarHBondContact CB-O 3.47Å; R192-H204 HydrophobicContact CG-CB 4.06Å; R192-H204 PolarHBondContact N-O 2.73Å; R192-H204 VanDerWaalsContact N-O 3.09Å; R192-H204 PolarHBondContact O-N 2.86Å; V194-H204 HydrophobicContact CB-CB 4.47Å; V194-H204 HydrophobicContact CG1-CB 3.55Å; V194-H204 HydrophobicContact CG2-CB 4.06Å; H204-Y208 PolarHBondContact CE1-O 3.02Å; H204-Y208 VanDerWaalsContact CE1-O 3.27Å; H204-D210 IonicContact CE1-OD1 2.98Å; H204-D210 PolarHBondContact CE1-OD1 3.02Å; H204-D210 IonicContact ND1-OD1 3.5Å; H204-D213 WeakPolarHBondContact CA-OD1 3.49Å; H204-D213 IonicContact CE1-OD1 3.73Å; H204-D213 IonicContact CG-OD1 2.79Å; H204-D213 IonicContact CG-OD2 3.57Å; H204-D213 IonicContact ND1-OD1 3.67Å; H204-D213 PolarHBondContact ND1-OD1 2.72Å; H204-D213 IonicContact ND1-OD2 2.64Å; H204-D213 PolarHBondContact ND1-OD2 3.36Å; H204-D256 IonicContact CD2-OD1 3.19Å; H204-D256 IonicContact NE2-OD1 2.68Å; H204-D256 IonicContact NE2-OD2 3.7Å |
| 205 | W | 90.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.3 | -177.4 | -70.4 | 88.8 | 0 | 0 | 0 | 111.2 | A2 R4 V191 Y207 Y208 T214 A274 | A2-W205 HydrophobicContact CB-CZ2 4.36Å; A2-W205 VanDerWaalsContact O-CH2 3.32Å; A2-W205 WeakPolarHBondContact O-CH2 3.35Å; R4-W205 VanDerWaalsContact CA-CZ2 3.47Å; R4-W205 HydrophobicContact CB-CD2 3.7Å; R4-W205 VanDerWaalsContact CB-CE2 3.5Å; R4-W205 HydrophobicContact CB-CE3 3.93Å; R4-W205 HydrophobicContact CB-CG 4.34Å; R4-W205 HydrophobicContact CB-CH2 3.86Å; R4-W205 HydrophobicContact CB-CZ2 3.63Å; R4-W205 HydrophobicContact CB-CZ3 3.98Å; R4-W205 HydrophobicContact CG-CD2 3.71Å; R4-W205 HydrophobicContact CG-CE3 4.19Å; R4-W205 HydrophobicContact CG-CG 3.83Å; R4-W205 HydrophobicContact CG-CZ2 4.47Å; V191-W205 HydrophobicContact CG1-CD2 3.65Å; V191-W205 HydrophobicContact CG1-CE3 3.5Å; V191-W205 VanDerWaalsContact CG1-CE3 3.5Å; V191-W205 HydrophobicContact CG1-CG 4.28Å; V191-W205 HydrophobicContact CG1-CH2 4.07Å; V191-W205 HydrophobicContact CG1-CZ2 4.2Å; V191-W205 HydrophobicContact CG1-CZ3 3.75Å; W205-Y207 PolarHBondContact O-N 2.87Å; W205-Y208 HydrophobicContact CB-CD2 4.07Å; W205-Y208 HydrophobicContact CB-CG 4.19Å; W205-Y208 WeakPolarHBondContact O-CB 3.39Å; W205-Y208 PolarHBondContact O-N 3.37Å; W205-T214 PolarHBondContact NE1-OG1 3.25Å; W205-A274 HydrophobicContact CZ3-CB 3.77Å |
| 206 | G | 90.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 123.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W190 Y208 D256 | W190-G206 VanDerWaalsContact CE2-CA 3.45Å; W190-G206 PolarHBondContact O-N 3.47Å; G206-Y208 VanDerWaalsContact C-N 3.32Å; G206-Y208 WeakPolarHBondContact O-CD2 3.38Å; G206-D256 VanDerWaalsContact CA-OD2 3.25Å; G206-D256 WeakPolarHBondContact CA-OD2 3.41Å |
| 207 | Y | 90.3 | Very high | 87.2 | Confident | 31 Ų | 31 | 33.6 Ų | 33.6 | 12% | 0.122 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 23.4 | -173 | -44.5 | -70.5 | 0 | 0 | 0 | 115.8 | L185 W190 W205 M252 D256 Y257 | L185-Y207 HydrophobicContact CD2-CE1 4.32Å; W190-Y207 AromaticContact NE1-CE2 3.89Å; W205-Y207 PolarHBondContact O-N 2.87Å; Y207-M252 WeakPolarHBondContact O-CE 2.99Å; Y207-D256 HydrophobicContact CD1-CB 4.38Å; Y207-D256 VanDerWaalsContact CE1-O 3.22Å; Y207-D256 WeakPolarHBondContact CE1-O 3.36Å; Y207-D256 PolarHBondContact N-OD2 2.88Å; Y207-Y257 WeakPolarHBondContact CA-OH 3.44Å; Y207-Y257 HydrophobicContact CD1-CD1 4.14Å; Y207-Y257 AromaticContact CD1-CE1 3.69Å; Y207-Y257 HydrophobicContact CD1-CE1 3.69Å; Y207-Y257 HydrophobicContact CD1-CE2 4.33Å; Y207-Y257 AromaticContact CD1-CZ 3.78Å; Y207-Y257 HydrophobicContact CE1-CD1 4.43Å; Y207-Y257 HydrophobicContact CE1-CE1 4.38Å; Y207-Y257 PolarHBondContact O-OH 2.91Å |
| 208 | Y | 91.8 | Very high | 87.7 | Confident | 48 Ų | 48 | 32.7 Ų | 32.7 | 19% | 0.188 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -111.7 | 153.3 | 166.9 | -69.9 | -105.4 | 0 | 0 | 0 | 109.2 | R4 H204 W205 G206 Y212 F248 M252 | R4-Y208 VanDerWaalsContact CZ-OH 3.26Å; R4-Y208 VanDerWaalsContact NH1-CZ 3.27Å; R4-Y208 PolarHBondContact NH1-OH 2.85Å; R4-Y208 PolarHBondContact NH2-OH 3.44Å; H204-Y208 PolarHBondContact CE1-O 3.02Å; H204-Y208 VanDerWaalsContact CE1-O 3.27Å; W205-Y208 HydrophobicContact CB-CD2 4.07Å; W205-Y208 HydrophobicContact CB-CG 4.19Å; W205-Y208 WeakPolarHBondContact O-CB 3.39Å; W205-Y208 PolarHBondContact O-N 3.37Å; G206-Y208 VanDerWaalsContact C-N 3.32Å; G206-Y208 WeakPolarHBondContact O-CD2 3.38Å; Y208-Y212 HydrophobicContact CD1-CD1 4.23Å; Y208-Y212 HydrophobicContact CD1-CG 4.13Å; Y208-F248 AromaticContact CD1-CE1 3.57Å; Y208-F248 HydrophobicContact CD1-CE1 3.57Å; Y208-F248 AromaticContact CD1-CZ 3.4Å; Y208-F248 HydrophobicContact CD1-CZ 3.4Å; Y208-F248 VanDerWaalsContact CD1-CZ 3.4Å; Y208-F248 AromaticContact CE1-CE1 3.88Å; Y208-F248 HydrophobicContact CE1-CE1 3.88Å; Y208-F248 AromaticContact CE1-CZ 3.59Å; Y208-F248 HydrophobicContact CE1-CZ 3.59Å; Y208-F248 HydrophobicContact CG-CZ 4.07Å; Y208-M252 VanDerWaalsContact C-CE 3.41Å |
| 209 | P | 92.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | trans | -74.6 | 151.2 | 173.3 | 30.2 | -28.6 | 0 | 0 | 0 | 109.8 | S211 Y212 F248 E250 M252 | P209-S211 PolarHBondContact O-N 3.25Å; P209-Y212 HydrophobicContact CG-CD2 3.76Å; P209-Y212 HydrophobicContact CG-CE2 3.98Å; P209-Y212 PolarHBondContact O-N 3.34Å; P209-F248 HydrophobicContact CG-CB 3.87Å; P209-F248 HydrophobicContact CG-CD1 4.06Å; P209-F248 HydrophobicContact CG-CD2 4.47Å; P209-F248 HydrophobicContact CG-CG 3.91Å; P209-E250 HydrophobicContact CB-CB 4.13Å; P209-E250 HydrophobicContact CB-CG 4.07Å; P209-E250 HydrophobicContact CG-CB 4.29Å; P209-M252 HydrophobicContact CB-CE 4.39Å; P209-M252 HydrophobicContact CB-SD 3.79Å; P209-M252 HydrophobicContact CG-CE 4.42Å; P209-M252 HydrophobicContact CG-SD 3.93Å | ||
| 210 | D | 90.2 | Very high | 87.7 | Confident | 20 Ų | 20 | 26.4 Ų | 26.4 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -43.9 | -27.4 | -179.3 | -54.7 | -7.4 | 0 | 0 | 0 | 113.8 | I78 K79 H204 Y212 D213 N253 | I78-D210 HydrophobicContact CG2-CB 3.42Å; I78-D210 VanDerWaalsContact CG2-CB 3.42Å; K79-D210 IonicContact NZ-OD2 2.67Å; H204-D210 IonicContact CE1-OD1 2.98Å; H204-D210 PolarHBondContact CE1-OD1 3.02Å; H204-D210 IonicContact ND1-OD1 3.5Å; D210-Y212 PolarHBondContact O-N 2.93Å; D210-D213 WeakPolarHBondContact CA-OD1 3.38Å; D210-D213 VanDerWaalsContact O-CB 3.28Å; D210-D213 WeakPolarHBondContact O-CB 3.18Å; D210-D213 PolarHBondContact O-N 2.93Å; D210-D213 VanDerWaalsContact O-N 3.17Å; D210-N253 WeakPolarHBondContact OD1-CB 3.37Å; D210-N253 PolarHBondContact OD1-ND2 2.71Å |
| 211 | S | 91.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -61.3 | -22.2 | 175.9 | 76 | 0 | 0 | 0 | 0 | 114.6 | K5 G8 K75 P209 D213 E250 | K5-S211 PolarHBondContact NZ-O 3.43Å; G8-S211 WeakPolarHBondContact CA-OG 3.24Å; K75-S211 PolarHBondContact NZ-OG 3.37Å; K75-S211 VanDerWaalsContact NZ-OG 3.11Å; P209-S211 PolarHBondContact O-N 3.25Å; S211-D213 VanDerWaalsContact C-N 3.35Å; S211-E250 VanDerWaalsContact CB-OE2 3.31Å; S211-E250 WeakPolarHBondContact CB-OE2 3.45Å; S211-E250 PolarHBondContact OG-OE2 3.14Å |
| 212 | Y | 92 | Very high | 86.1 | Confident | 6 Ų | 6 | 32 Ų | 32 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -86.2 | -3.9 | 178.1 | -75.9 | -98.6 | 0 | 0 | 0 | 113.6 | K5 Y208 P209 D210 F248 | K5-Y212 HydrophobicContact CB-CD1 4.34Å; Y208-Y212 HydrophobicContact CD1-CD1 4.23Å; Y208-Y212 HydrophobicContact CD1-CG 4.13Å; P209-Y212 HydrophobicContact CG-CD2 3.76Å; P209-Y212 HydrophobicContact CG-CE2 3.98Å; P209-Y212 PolarHBondContact O-N 3.34Å; D210-Y212 PolarHBondContact O-N 2.93Å; Y212-F248 HydrophobicContact CD2-CD1 4.28Å; Y212-F248 HydrophobicContact CD2-CE1 4.31Å; Y212-F248 HydrophobicContact CE1-CE1 4.48Å; Y212-F248 AromaticContact CE2-CD1 3.47Å; Y212-F248 HydrophobicContact CE2-CD1 3.47Å; Y212-F248 VanDerWaalsContact CE2-CD1 3.47Å; Y212-F248 AromaticContact CE2-CE1 3.74Å; Y212-F248 HydrophobicContact CE2-CE1 3.74Å; Y212-F248 AromaticContact CZ-CD1 3.81Å; Y212-F248 AromaticContact CZ-CE1 3.84Å |
| 213 | D | 91.3 | Very high | 85.1 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -59.8 | 135 | -175 | -68.7 | 10.2 | 0 | 0 | 0 | 112.7 | K5 L202 L203 H204 D210 S211 | K5-D213 WeakPolarHBondContact CE-O 3.48Å; L202-D213 HydrophobicContact CD1-CB 3.6Å; L202-D213 HydrophobicContact CD2-CB 4.42Å; L202-D213 HydrophobicContact CG-CB 3.99Å; L203-D213 CarbonylContact O-C 3.49Å; L203-D213 WeakPolarHBondContact O-CA 3.42Å; L203-D213 VanDerWaalsContact O-CB 3.32Å; L203-D213 WeakPolarHBondContact O-CB 3.41Å; H204-D213 WeakPolarHBondContact CA-OD1 3.49Å; H204-D213 IonicContact CE1-OD1 3.73Å; H204-D213 IonicContact CG-OD1 2.79Å; H204-D213 IonicContact CG-OD2 3.57Å; H204-D213 IonicContact ND1-OD1 3.67Å; H204-D213 PolarHBondContact ND1-OD1 2.72Å; H204-D213 IonicContact ND1-OD2 2.64Å; H204-D213 PolarHBondContact ND1-OD2 3.36Å; D210-D213 WeakPolarHBondContact CA-OD1 3.38Å; D210-D213 VanDerWaalsContact O-CB 3.28Å; D210-D213 WeakPolarHBondContact O-CB 3.18Å; D210-D213 PolarHBondContact O-N 2.93Å; D210-D213 VanDerWaalsContact O-N 3.17Å; S211-D213 VanDerWaalsContact C-N 3.35Å | ||
| 214 | T | 89.5 | Confident | 84.1 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.5 | -174.3 | -57.6 | 0 | 0 | 0 | 0 | 111 | V3 L203 W205 I216 | V3-T214 VanDerWaalsContact O-CG2 3.27Å; V3-T214 WeakPolarHBondContact O-CG2 3.24Å; V3-T214 PolarHBondContact O-OG1 3.46Å; L203-T214 PolarHBondContact N-O 3.3Å; L203-T214 PolarHBondContact O-N 2.81Å; W205-T214 PolarHBondContact NE1-OG1 3.25Å; T214-I216 HydrophobicContact CG2-CG2 3.87Å |
| 215 | W | 87 | Confident | 83.3 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 13% | 0.125 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 121.3 | 164.1 | -74.5 | 103.4 | 0 | 0 | 0 | 110.1 | Y14 M195 R197 Q200 V201 L202 | Y14-W215 AromaticContact CD2-CD1 3.95Å; Y14-W215 HydrophobicContact CD2-CD2 4.2Å; Y14-W215 AromaticContact CD2-CE2 3.43Å; Y14-W215 VanDerWaalsContact CD2-CE2 3.43Å; Y14-W215 HydrophobicContact CD2-CG 4.49Å; Y14-W215 AromaticContact CD2-CZ2 3.71Å; Y14-W215 HydrophobicContact CD2-CZ2 3.71Å; Y14-W215 AromaticContact CD2-NE1 3.25Å; Y14-W215 AromaticContact CE2-CE2 3.54Å; Y14-W215 HydrophobicContact CE2-CH2 4.11Å; Y14-W215 AromaticContact CE2-CZ2 3.27Å; Y14-W215 HydrophobicContact CE2-CZ2 3.27Å; Y14-W215 AromaticContact CE2-NE1 3.67Å; Y14-W215 AromaticContact CG-NE1 3.63Å; M195-W215 HydrophobicContact CB-CH2 4.18Å; M195-W215 HydrophobicContact CG-CH2 4.14Å; M195-W215 HydrophobicContact SD-CH2 3.73Å; M195-W215 HydrophobicContact SD-CZ2 4.09Å; R197-W215 HydrophobicContact CB-CH2 4.16Å; R197-W215 HydrophobicContact CB-CZ3 4.02Å; Q200-W215 HydrophobicContact CB-CE3 3.94Å; Q200-W215 HydrophobicContact CB-CZ3 4.34Å; V201-W215 WeakPolarHBondContact O-CA 3.41Å; L202-W215 HydrophobicContact CB-CD2 4.02Å; L202-W215 HydrophobicContact CB-CE3 3.92Å; L202-W215 HydrophobicContact CB-CH2 3.94Å; L202-W215 HydrophobicContact CB-CZ2 4.01Å; L202-W215 HydrophobicContact CB-CZ3 3.9Å; L202-W215 HydrophobicContact CD1-CD2 3.95Å; L202-W215 HydrophobicContact CD1-CG 3.94Å; L202-W215 HydrophobicContact CD1-CZ2 4.47Å; L202-W215 HydrophobicContact CD2-CZ2 4.06Å; L202-W215 HydrophobicContact CG-CZ2 4.42Å |
| 216 | I | 85.9 | Confident | 82.2 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 162.5 | 175.4 | 59.6 | 160.2 | 0 | 0 | 0 | 110.8 | A2 Q200 V201 L203 T214 E220 I221 | A2-I216 HydrophobicContact CB-CG2 4Å; Q200-I216 CarbonylContact C-O 3.54Å; Q200-I216 WeakPolarHBondContact CA-O 3.12Å; Q200-I216 WeakPolarHBondContact CB-O 3.32Å; V201-I216 HydrophobicContact CB-CG1 4.24Å; V201-I216 PolarHBondContact N-O 3.42Å; V201-I216 WeakPolarHBondContact O-CG1 3.43Å; V201-I216 PolarHBondContact O-N 2.81Å; L203-I216 HydrophobicContact CD1-CD1 3.45Å; L203-I216 VanDerWaalsContact CD1-CD1 3.45Å; L203-I216 HydrophobicContact CD1-CG1 4.03Å; L203-I216 HydrophobicContact CD1-CG2 4.33Å; L203-I216 HydrophobicContact CD2-CD1 4.25Å; L203-I216 HydrophobicContact CG-CD1 3.78Å; L203-I216 HydrophobicContact CG-CG1 3.99Å; T214-I216 HydrophobicContact CG2-CG2 3.87Å; I216-E220 HydrophobicContact CD1-CB 4.11Å; I216-I221 HydrophobicContact CD1-CB 4.01Å; I216-I221 HydrophobicContact CD1-CG2 3.75Å |
| 217 | P | 83.8 | Confident | 80.8 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 139.1 | 167.5 | -18 | 30.8 | 0 | 0 | 0 | 111.5 | K199 S219 E220 | K199-P217 CarbonylContact O-C 3.59Å; K199-P217 WeakPolarHBondContact O-CA 3.22Å; P217-S219 PolarHBondContact O-N 3.29Å; P217-S219 VanDerWaalsContact O-N 3.13Å; P217-E220 HydrophobicContact CB-CG 4.19Å; P217-E220 HydrophobicContact CG-CG 4.21Å; P217-E220 WeakPolarHBondContact O-CB 3.24Å; P217-E220 PolarHBondContact O-N 2.99Å |
| 218 | A | 81.9 | Confident | 79.3 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -66.8 | -12.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K199 V201 E220 | K199-A218 PolarHBondContact O-N 2.67Å; V201-A218 HydrophobicContact CG2-CB 3.87Å; A218-E220 VanDerWaalsContact C-N 3.33Å |
| 219 | S | 78.1 | Confident | 77.8 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 78% | 0.783 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -80.3 | -9.9 | 171.6 | 54 | 0 | 0 | 0 | 0 | 113.7 | P217 | P217-S219 PolarHBondContact O-N 3.29Å; P217-S219 VanDerWaalsContact O-N 3.13Å |
| 220 | E | 76.1 | Confident | 75.9 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -90.8 | -4.6 | 177.1 | -61.5 | -167.7 | 168.5 | 0 | 0 | 113.3 | M1 I216 P217 A218 | M1-E220 WeakPolarHBondContact CA-OE2 3.41Å; M1-E220 PolarHBondContact N-OE1 2.96Å; M1-E220 PolarHBondContact N-OE2 3.5Å; I216-E220 HydrophobicContact CD1-CB 4.11Å; P217-E220 HydrophobicContact CB-CG 4.19Å; P217-E220 HydrophobicContact CG-CG 4.21Å; P217-E220 WeakPolarHBondContact O-CB 3.24Å; P217-E220 PolarHBondContact O-N 2.99Å; A218-E220 VanDerWaalsContact C-N 3.33Å |
| 221 | I | 72.9 | Confident | 74.2 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | trans | -148.7 | 113.1 | 179 | -155.4 | 169.4 | 0 | 0 | 0 | 113.6 | P193 V201 L203 I216 A223 I272 L277 | P193-I221 HydrophobicContact CG-CD1 4.38Å; V201-I221 HydrophobicContact CB-CG2 4.16Å; V201-I221 HydrophobicContact CG1-CG2 3.92Å; V201-I221 HydrophobicContact CG2-CG2 4.23Å; L203-I221 HydrophobicContact CD1-CD1 4.27Å; L203-I221 HydrophobicContact CD2-CD1 3.56Å; L203-I221 HydrophobicContact CD2-CG2 4.39Å; I216-I221 HydrophobicContact CD1-CB 4.01Å; I216-I221 HydrophobicContact CD1-CG2 3.75Å; I221-A223 HydrophobicContact CD1-CB 4.48Å; I221-A223 HydrophobicContact CG1-CB 4.11Å; I221-A223 PolarHBondContact O-N 3.21Å; I221-I272 HydrophobicContact CD1-CD1 3.68Å; I221-I272 HydrophobicContact CG1-CD1 4.15Å; I221-L277 HydrophobicContact CD1-CD1 3.97Å | ||
| 222 | E | 63.7 | Low | 72.6 | Confident | 201 Ų | 201 | 65.8 Ų | 65.8 | 94% | 0.939 | 39% | 0.39 | S | S | * | . | trans | -85.1 | 61.7 | 174.4 | -64 | -167 | 146.8 | 0 | 0 | 111.4 | ||||
| 223 | A | 66.9 | Low | 71.6 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | trans | -132.6 | 135.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P193 I221 I272 | P193-A223 HydrophobicContact CG-CB 3.5Å; I221-A223 HydrophobicContact CD1-CB 4.48Å; I221-A223 HydrophobicContact CG1-CB 4.11Å; I221-A223 PolarHBondContact O-N 3.21Å; A223-I272 HydrophobicContact CB-CD1 3.77Å | ||
| 224 | S | 69.1 | Low | 71.1 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 62% | 0.615 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 139.3 | 170.6 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | E226 | S224-E226 PolarHBondContact O-N 2.93Š|
| 225 | V | 75.1 | Confident | 71 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 32% | 0.321 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 130.4 | 162 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | K196 | K196-V225 HydrophobicContact CB-CG2 3.31Š|
| 226 | E | 66.7 | Low | 71.1 | Confident | 40 Ų | 40 | 77.2 Ų | 77.2 | 19% | 0.187 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 146 | 177.2 | -59.1 | -178.5 | 144.5 | 0 | 0 | 110.6 | S224 R269 K270 | S224-E226 PolarHBondContact O-N 2.93Å; E226-R269 WeakPolarHBondContact OE1-CA 3.31Å; E226-R269 WeakPolarHBondContact OE1-CB 3.32Å; E226-R269 VanDerWaalsContact OE2-CB 3.32Å; E226-R269 WeakPolarHBondContact OE2-CB 3.42Å; E226-R269 WeakPolarHBondContact OE2-CD 3.47Å; E226-R269 WeakPolarHBondContact OE2-CG 3.3Å; E226-R269 IonicContact OE2-CZ 3.95Å; E226-R269 IonicContact OE2-NE 3.91Å; E226-R269 IonicContact OE2-NH1 2.88Å; E226-R269 PolarHBondContact OE2-NH1 3.04Å; E226-K270 PolarHBondContact OE1-N 3.35Å |
| 227 | D | 60.3 | Low | 71.5 | Confident | 146 Ų | 146 | 77 Ų | 77 | 78% | 0.781 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 156.3 | -177.6 | -68.1 | -64.9 | 0 | 0 | 0 | 114 | R269 | D227-R269 PolarHBondContact O-NH1 2.96Å; D227-R269 PolarHBondContact O-NH2 2.88Å |
| 228 | A | 58.3 | Low | 71.9 | Confident | 95 Ų | 95 | 74.3 Ų | 74.3 | 79% | 0.785 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 131.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 229 | P | 60.4 | Low | 72.4 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 143.1 | -171.3 | 22.2 | -31.5 | 0 | 0 | 0 | 113.8 | E255 | P229-E255 WeakPolarHBondContact CB-OE1 3.27Š|
| 230 | T | 52.6 | Low | 73.1 | Confident | 104 Ų | 104 | 70.6 Ų | 70.6 | 64% | 0.638 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 139.4 | 169.6 | 45 | 0 | 0 | 0 | 0 | 110.7 | E232 | T230-E232 PolarHBondContact O-N 3.39Š|
| 231 | P | 54.3 | Low | 74 | Confident | 114 Ų | 114 | 67.2 Ų | 67.2 | 74% | 0.74 | 37% | 0.374 | S | S | * | . | trans | -80.9 | 62.2 | -173.5 | 33.4 | -37 | 0 | 0 | 0 | 112.5 | K233 | P231-K233 PolarHBondContact O-N 3.09Š| ||
| 232 | E | 58.3 | Low | 75.1 | Confident | 102 Ų | 102 | 66.6 Ų | 66.6 | 48% | 0.477 | 37% | 0.371 | S | S | . | . | trans | -68.2 | 118.2 | 175.5 | -169 | 170.9 | -143.9 | 0 | 0 | 110.5 | T230 R235 R268 | T230-E232 PolarHBondContact O-N 3.39Å; E232-R235 WeakPolarHBondContact O-CG 3.4Å; E232-R268 IonicContact OE2-CZ 3.33Å; E232-R268 VanDerWaalsContact OE2-CZ 3.31Å; E232-R268 IonicContact OE2-NH1 3.24Å; E232-R268 PolarHBondContact OE2-NH1 3.17Å; E232-R268 IonicContact OE2-NH2 2.66Å; E232-R268 PolarHBondContact OE2-NH2 3.48Å | ||
| 233 | K | 71.9 | Confident | 76.6 | Confident | 171 Ų | 171 | 58.9 Ų | 58.9 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -131.3 | 139.9 | 180 | -70.9 | -177.2 | 179.8 | 177.8 | 0 | 110.9 | P231 | P231-K233 PolarHBondContact O-N 3.09Š|
| 234 | P | 79.4 | Confident | 77.9 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 29% | 0.292 | 33% | 0.328 | S | S | . | . | S | Bend | cis | -72.6 | 140.5 | -7 | 29.5 | -34.5 | 0 | 0 | 0 | 112.3 | S175 V177 | S175-P234 WeakPolarHBondContact O-CA 3.35Å; V177-P234 HydrophobicContact CG2-CB 3.97Å; V177-P234 HydrophobicContact CG2-CG 4.03Å |
| 235 | R | 87.6 | Confident | 79.1 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 135 | 172.3 | -74.4 | -169.2 | -176.2 | -96.5 | 7.7 | 110.2 | S175 H176 V177 E232 I237 E258 | S175-R235 PolarHBondContact O-N 2.77Å; H176-R235 WeakPolarHBondContact CA-O 3.42Å; V177-R235 PolarHBondContact N-O 3.34Å; E232-R235 WeakPolarHBondContact O-CG 3.4Å; R235-I237 HydrophobicContact CB-CG2 4.47Å; R235-E258 IonicContact CZ-OE1 3.89Å; R235-E258 IonicContact NH1-OE1 2.71Å; R235-E258 PolarHBondContact NH1-OE1 3.43Å; R235-E258 IonicContact NH1-OE2 2.65Å |
| 236 | K | 90.8 | Very high | 80 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 112.8 | 175.8 | -58.8 | 173.6 | -160.2 | 172.7 | 0 | 108.1 | Y179 E258 V259 D261 | Y179-K236 HydrophobicContact CE2-CB 3.98Å; Y179-K236 HydrophobicContact CE2-CG 4.28Å; K236-E258 CarbonylContact O-C 3.54Å; K236-E258 VanDerWaalsContact O-CA 3.24Å; K236-E258 WeakPolarHBondContact O-CA 3.45Å; K236-V259 HydrophobicContact CB-CG2 4.16Å; K236-V259 WeakPolarHBondContact CB-O 3.4Å; K236-V259 PolarHBondContact O-N 3.47Å; K236-D261 IonicContact NZ-OD1 3.62Å; K236-D261 PolarHBondContact NZ-OD1 2.66Å; K236-D261 IonicContact NZ-OD2 3.18Å; K236-D261 PolarHBondContact NZ-OD2 3.47Å |
| 237 | I | 92.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161 | -173.1 | 50.6 | 162.9 | 0 | 0 | 0 | 111.8 | H176 V177 V178 Y179 R235 W241 Y257 E258 | H176-I237 HydrophobicContact CB-CD1 4.06Å; H176-I237 HydrophobicContact CB-CG1 4.41Å; V177-I237 PolarHBondContact O-N 3.24Å; V178-I237 CarbonylContact C-O 3.54Å; V178-I237 VanDerWaalsContact CA-O 3.3Å; V178-I237 WeakPolarHBondContact CA-O 3.47Å; V178-I237 HydrophobicContact CG2-CD1 3.92Å; V178-I237 HydrophobicContact CG2-CG1 3.96Å; Y179-I237 PolarHBondContact N-O 3.21Å; R235-I237 HydrophobicContact CB-CG2 4.47Å; I237-W241 HydrophobicContact CD1-CB 4.13Å; I237-W241 HydrophobicContact CD1-CD2 3.45Å; I237-W241 VanDerWaalsContact CD1-CD2 3.45Å; I237-W241 HydrophobicContact CD1-CE3 3.2Å; I237-W241 HydrophobicContact CD1-CG 3.85Å; I237-W241 HydrophobicContact CD1-CH2 4.44Å; I237-W241 HydrophobicContact CD1-CZ3 3.76Å; I237-Y257 CarbonylContact C-O 3.55Å; I237-Y257 WeakPolarHBondContact CA-O 3.5Å; I237-E258 HydrophobicContact CG2-CG 3.84Å |
| 238 | H | 93 | Very high | 82.8 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 152.6 | 174.5 | 70.2 | 94.3 | 0 | 0 | 0 | 113.8 | Y179 P182 K240 W241 Y257 V259 | Y179-H238 WeakPolarHBondContact O-CA 3.37Å; P182-H238 HydrophobicContact CG-CB 4.43Å; H238-K240 VanDerWaalsContact CE1-CB 3.4Å; H238-K240 WeakPolarHBondContact CE1-CB 3.34Å; H238-K240 WeakPolarHBondContact ND1-CB 3.34Å; H238-K240 PolarHBondContact O-N 2.92Å; H238-W241 PolarHBondContact O-N 3.35Å; H238-W241 VanDerWaalsContact O-N 3.11Å; H238-Y257 PolarHBondContact CD2-O 3.39Å; H238-Y257 AromaticContact CE1-CD1 3.8Å; H238-Y257 PolarHBondContact N-O 2.86Å; H238-Y257 AromaticContact NE2-CD1 3.85Å; H238-V259 HydrophobicContact CB-CG1 3.97Å |
| 239 | A | 93.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -8.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | L156 V178 Y179 V181 W241 I242 L243 | L156-A239 HydrophobicContact CD1-CB 3.87Å; L156-A239 HydrophobicContact CD2-CB 4.28Å; V178-A239 HydrophobicContact CG1-CB 3.79Å; Y179-A239 WeakPolarHBondContact O-CB 3.49Å; Y179-A239 PolarHBondContact O-N 3.49Å; V181-A239 HydrophobicContact CG2-CB 4.05Å; A239-W241 PolarHBondContact O-N 2.82Å; A239-I242 PolarHBondContact O-N 2.68Å; A239-L243 PolarHBondContact O-N 3.12Å |
| 240 | K | 92.9 | Very high | 86.1 | Confident | 53 Ų | 53 | 42.3 Ų | 42.3 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -29 | 173.7 | -163.8 | -173.8 | -179.9 | -74 | 0 | 111.3 | V181 L185 H238 I242 L243 D244 Y257 | V181-K240 HydrophobicContact CG2-CB 4.26Å; L185-K240 HydrophobicContact CD2-CD 3.65Å; H238-K240 VanDerWaalsContact CE1-CB 3.4Å; H238-K240 WeakPolarHBondContact CE1-CB 3.34Å; H238-K240 WeakPolarHBondContact ND1-CB 3.34Å; H238-K240 PolarHBondContact O-N 2.92Å; K240-I242 VanDerWaalsContact C-N 3.27Å; K240-I242 PolarHBondContact O-N 3.41Å; K240-L243 PolarHBondContact O-N 2.94Å; K240-L243 VanDerWaalsContact O-N 3.07Å; K240-D244 WeakPolarHBondContact CG-OD2 3.33Å; K240-D244 IonicContact NZ-OD1 2.73Å; K240-D244 PolarHBondContact NZ-OD1 3.02Å; K240-D244 IonicContact NZ-OD2 2.78Å; K240-D244 PolarHBondContact NZ-OD2 3.29Å; K240-D244 WeakPolarHBondContact O-CB 3.24Å; K240-D244 PolarHBondContact O-N 3.46Å; K240-Y257 HydrophobicContact CB-CD1 3.98Å; K240-Y257 HydrophobicContact CB-CE1 3.93Å; K240-Y257 HydrophobicContact CD-CE1 4.24Å; K240-Y257 HydrophobicContact CG-CE1 4.04Å |
| 241 | W | 94.5 | Very high | 88 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -52.4 | -44.4 | 175.2 | -178.4 | 71.3 | 0 | 0 | 0 | 112.5 | P140 I142 I237 H238 A239 T245 W251 M252 E254 Y257 | P140-W241 HydrophobicContact CB-CH2 3.92Å; P140-W241 HydrophobicContact CG-CH2 3.85Å; I142-W241 HydrophobicContact CD1-CH2 4.38Å; I142-W241 HydrophobicContact CD1-CZ3 3.76Å; I142-W241 HydrophobicContact CG1-CZ3 4.2Å; I237-W241 HydrophobicContact CD1-CB 4.13Å; I237-W241 HydrophobicContact CD1-CD2 3.45Å; I237-W241 VanDerWaalsContact CD1-CD2 3.45Å; I237-W241 HydrophobicContact CD1-CE3 3.2Å; I237-W241 HydrophobicContact CD1-CG 3.85Å; I237-W241 HydrophobicContact CD1-CH2 4.44Å; I237-W241 HydrophobicContact CD1-CZ3 3.76Å; H238-W241 PolarHBondContact O-N 3.35Å; H238-W241 VanDerWaalsContact O-N 3.11Å; A239-W241 PolarHBondContact O-N 2.82Å; W241-T245 WeakPolarHBondContact O-CB 3.46Å; W241-T245 PolarHBondContact O-N 2.96Å; W241-T245 PolarHBondContact O-OG1 3.1Å; W241-W251 HydrophobicContact CE3-CZ3 4.37Å; W241-W251 AromaticContact CH2-CE3 3.65Å; W241-W251 HydrophobicContact CH2-CE3 3.65Å; W241-W251 AromaticContact CH2-CZ3 3.56Å; W241-W251 HydrophobicContact CH2-CZ3 3.56Å; W241-W251 AromaticContact CZ2-CE3 3.76Å; W241-W251 HydrophobicContact CZ2-CE3 3.76Å; W241-W251 HydrophobicContact CZ2-CZ3 4.13Å; W241-W251 HydrophobicContact CZ3-CE3 4.19Å; W241-W251 AromaticContact CZ3-CZ3 3.7Å; W241-W251 HydrophobicContact CZ3-CZ3 3.7Å; W241-M252 PolarHBondContact NE1-O 2.9Å; W241-E254 HydrophobicContact CZ2-CG 4.16Å; W241-Y257 HydrophobicContact CB-CD1 3.83Å; W241-Y257 HydrophobicContact CB-CD2 4.07Å; W241-Y257 HydrophobicContact CB-CE1 4.32Å; W241-Y257 HydrophobicContact CB-CG 3.67Å; W241-Y257 AromaticContact CD1-CD2 3.56Å; W241-Y257 AromaticContact CD1-CE2 3.92Å; W241-Y257 HydrophobicContact CG-CD2 4.21Å; W241-Y257 HydrophobicContact CG-CG 4.27Å; W241-Y257 VanDerWaalsContact N-CD1 3.25Å |
| 242 | I | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.9 | -41 | 177 | -61.5 | 165.3 | 0 | 0 | 0 | 111.1 | L144 L156 I159 I160 V178 A239 K240 D244 T245 D246 | L144-I242 HydrophobicContact CD2-CD1 4.1Å; L156-I242 HydrophobicContact CB-CD1 4.45Å; L156-I242 HydrophobicContact CB-CG2 4.5Å; L156-I242 HydrophobicContact CD2-CB 3.67Å; L156-I242 HydrophobicContact CD2-CD1 3.97Å; L156-I242 HydrophobicContact CD2-CG1 4.43Å; L156-I242 HydrophobicContact CD2-CG2 3.57Å; I159-I242 HydrophobicContact CB-CG2 3.72Å; I159-I242 HydrophobicContact CD1-CG2 4.08Å; I159-I242 HydrophobicContact CG2-CG2 3.41Å; I159-I242 VanDerWaalsContact CG2-CG2 3.41Å; I160-I242 HydrophobicContact CD1-CD1 3.83Å; I160-I242 HydrophobicContact CG1-CD1 4.07Å; I160-I242 HydrophobicContact CG1-CG1 4.44Å; I160-I242 HydrophobicContact CG1-CG2 4.28Å; V178-I242 HydrophobicContact CG1-CD1 4.1Å; V178-I242 HydrophobicContact CG2-CD1 4.07Å; A239-I242 PolarHBondContact O-N 2.68Å; K240-I242 VanDerWaalsContact C-N 3.27Å; K240-I242 PolarHBondContact O-N 3.41Å; I242-D244 VanDerWaalsContact C-N 3.32Å; I242-D244 PolarHBondContact O-N 3.25Å; I242-T245 WeakPolarHBondContact O-CB 3.45Å; I242-T245 PolarHBondContact O-N 3.25Å; I242-D246 PolarHBondContact O-N 3.26Å |
| 243 | L | 94.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 20% | 0.204 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.6 | -33.1 | 179.8 | -65.2 | 173.5 | 0 | 0 | 0 | 112.7 | L152 K155 L156 I159 A239 K240 D246 T247 | L152-L243 HydrophobicContact CD1-CD1 4.16Å; L152-L243 HydrophobicContact CD1-CD2 4.01Å; L152-L243 HydrophobicContact CD1-CG 4.5Å; K155-L243 HydrophobicContact CD-CD2 4.01Å; L156-L243 HydrophobicContact CD2-CD2 4.16Å; L156-L243 HydrophobicContact CD2-CG 4.18Å; I159-L243 HydrophobicContact CD1-CD2 4.06Å; A239-L243 PolarHBondContact O-N 3.12Å; K240-L243 PolarHBondContact O-N 2.94Å; K240-L243 VanDerWaalsContact O-N 3.07Å; L243-D246 WeakPolarHBondContact O-CB 3.23Å; L243-T247 PolarHBondContact O-N 3.08Å; L243-T247 PolarHBondContact O-OG1 3.35Å |
| 244 | D | 94.4 | Very high | 92.1 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 10% | 0.096 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -78 | -35.1 | 173.7 | -64.5 | -18.9 | 0 | 0 | 0 | 110.8 | K240 I242 D246 T247 F248 M252 Y257 | K240-D244 WeakPolarHBondContact CG-OD2 3.33Å; K240-D244 IonicContact NZ-OD1 2.73Å; K240-D244 PolarHBondContact NZ-OD1 3.02Å; K240-D244 IonicContact NZ-OD2 2.78Å; K240-D244 PolarHBondContact NZ-OD2 3.29Å; K240-D244 WeakPolarHBondContact O-CB 3.24Å; K240-D244 PolarHBondContact O-N 3.46Å; I242-D244 VanDerWaalsContact C-N 3.32Å; I242-D244 PolarHBondContact O-N 3.25Å; D244-D246 VanDerWaalsContact C-N 3.28Å; D244-D246 PolarHBondContact O-N 3.48Å; D244-T247 CarbonylContact O-C 3.58Å; D244-T247 WeakPolarHBondContact O-CA 3.36Å; D244-T247 WeakPolarHBondContact O-CB 3.41Å; D244-T247 PolarHBondContact O-N 3.35Å; D244-F248 HydrophobicContact CB-CD2 4.3Å; D244-F248 HydrophobicContact CB-CE2 4.43Å; D244-F248 WeakPolarHBondContact O-CD2 3.33Å; D244-F248 PolarHBondContact O-N 2.81Å; D244-M252 HydrophobicContact CB-CE 3.79Å; D244-M252 HydrophobicContact CB-CG 3.86Å; D244-M252 HydrophobicContact CB-SD 4.03Å; D244-Y257 WeakPolarHBondContact OD2-CE1 3.47Å; D244-Y257 VanDerWaalsContact OD2-CZ 3.27Å; D244-Y257 PolarHBondContact OD2-OH 3.21Å |
| 245 | T | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.2 | -43.9 | 170.1 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | H163 W241 I242 T247 N249 E250 W251 | H163-T245 HydrophobicContact CB-CG2 4.33Å; W241-T245 WeakPolarHBondContact O-CB 3.46Å; W241-T245 PolarHBondContact O-N 2.96Å; W241-T245 PolarHBondContact O-OG1 3.1Å; I242-T245 WeakPolarHBondContact O-CB 3.45Å; I242-T245 PolarHBondContact O-N 3.25Å; T245-T247 PolarHBondContact O-N 3.04Å; T245-N249 VanDerWaalsContact O-CA 3.25Å; T245-N249 WeakPolarHBondContact O-CA 3.5Å; T245-N249 PolarHBondContact O-N 3.08Å; T245-E250 WeakPolarHBondContact CA-O 3.36Å; T245-W251 HydrophobicContact CG2-CD2 3.99Å; T245-W251 HydrophobicContact CG2-CE3 3.81Å; T245-W251 HydrophobicContact CG2-CG 4.46Å; T245-W251 HydrophobicContact CG2-CZ3 4.2Å |
| 246 | D | 93.9 | Very high | 92.5 | Very high | 47 Ų | 47 | 21.5 Ų | 21.5 | 25% | 0.251 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -62.7 | -25.5 | 172 | -171.7 | 52.5 | 0 | 0 | 0 | 113.2 | K155 I159 R162 I242 L243 D244 | K155-D246 WeakPolarHBondContact CE-OD2 3.42Å; K155-D246 IonicContact NZ-OD2 3.88Å; K155-D246 PolarHBondContact NZ-OD2 3.28Å; I159-D246 HydrophobicContact CD1-CB 3.75Å; I159-D246 HydrophobicContact CG1-CB 3.89Å; I159-D246 HydrophobicContact CG2-CB 3.82Å; R162-D246 IonicContact CZ-OD1 2.6Å; R162-D246 IonicContact NH1-OD1 3.21Å; R162-D246 PolarHBondContact NH1-OD1 2.97Å; R162-D246 IonicContact NH2-OD1 2.86Å; I242-D246 PolarHBondContact O-N 3.26Å; L243-D246 WeakPolarHBondContact O-CB 3.23Å; D244-D246 VanDerWaalsContact C-N 3.28Å; D244-D246 PolarHBondContact O-N 3.48Å |
| 247 | T | 93.1 | Very high | 92.5 | Very high | 67 Ų | 67 | 18.5 Ų | 18.5 | 41% | 0.411 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -92.4 | -25.9 | -175.3 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | K66 L243 D244 T245 | K66-T247 WeakPolarHBondContact CD-O 3.44Å; K66-T247 WeakPolarHBondContact CE-O 3.44Å; K66-T247 WeakPolarHBondContact CG-O 3.42Å; L243-T247 PolarHBondContact O-N 3.08Å; L243-T247 PolarHBondContact O-OG1 3.35Å; D244-T247 CarbonylContact O-C 3.58Å; D244-T247 WeakPolarHBondContact O-CA 3.36Å; D244-T247 WeakPolarHBondContact O-CB 3.41Å; D244-T247 PolarHBondContact O-N 3.35Å; T245-T247 PolarHBondContact O-N 3.04Å |
| 248 | F | 92.9 | Very high | 92.3 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 4% | 0.039 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -111 | -11.3 | 178.1 | -68.2 | -83.8 | 0 | 0 | 0 | 113.5 | K66 Y208 P209 Y212 D244 E250 M252 | K66-F248 HydrophobicContact CD-CD1 3.59Å; K66-F248 HydrophobicContact CD-CE1 3.78Å; K66-F248 HydrophobicContact CD-CG 4.37Å; K66-F248 VanDerWaalsContact NZ-CZ 3.32Å; Y208-F248 AromaticContact CD1-CE1 3.57Å; Y208-F248 HydrophobicContact CD1-CE1 3.57Å; Y208-F248 AromaticContact CD1-CZ 3.4Å; Y208-F248 HydrophobicContact CD1-CZ 3.4Å; Y208-F248 VanDerWaalsContact CD1-CZ 3.4Å; Y208-F248 AromaticContact CE1-CE1 3.88Å; Y208-F248 HydrophobicContact CE1-CE1 3.88Å; Y208-F248 AromaticContact CE1-CZ 3.59Å; Y208-F248 HydrophobicContact CE1-CZ 3.59Å; Y208-F248 HydrophobicContact CG-CZ 4.07Å; P209-F248 HydrophobicContact CG-CB 3.87Å; P209-F248 HydrophobicContact CG-CD1 4.06Å; P209-F248 HydrophobicContact CG-CD2 4.47Å; P209-F248 HydrophobicContact CG-CG 3.91Å; Y212-F248 HydrophobicContact CD2-CD1 4.28Å; Y212-F248 HydrophobicContact CD2-CE1 4.31Å; Y212-F248 HydrophobicContact CE1-CE1 4.48Å; Y212-F248 AromaticContact CE2-CD1 3.47Å; Y212-F248 HydrophobicContact CE2-CD1 3.47Å; Y212-F248 VanDerWaalsContact CE2-CD1 3.47Å; Y212-F248 AromaticContact CE2-CE1 3.74Å; Y212-F248 HydrophobicContact CE2-CE1 3.74Å; Y212-F248 AromaticContact CZ-CD1 3.81Å; Y212-F248 AromaticContact CZ-CE1 3.84Å; D244-F248 HydrophobicContact CB-CD2 4.3Å; D244-F248 HydrophobicContact CB-CE2 4.43Å; D244-F248 WeakPolarHBondContact O-CD2 3.33Å; D244-F248 PolarHBondContact O-N 2.81Å; F248-E250 PolarHBondContact O-N 3.44Å; F248-M252 HydrophobicContact CB-SD 4.21Å; F248-M252 HydrophobicContact CD2-CE 3.75Å; F248-M252 HydrophobicContact CD2-SD 3.64Å; F248-M252 HydrophobicContact CE2-CE 3.86Å; F248-M252 HydrophobicContact CE2-SD 4.37Å; F248-M252 HydrophobicContact CG-SD 4.22Å |
| 249 | N | 94.9 | Very high | 92 | Very high | 20 Ų | 20 | 18.9 Ų | 18.9 | 11% | 0.107 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 33.1 | -172.7 | -168.7 | 42.4 | 0 | 0 | 0 | 113.7 | F64 A71 L73 T74 K75 H163 T245 | F64-N249 PolarHBondContact O-ND2 3.47Å; A71-N249 VanDerWaalsContact CB-ND2 3.33Å; A71-N249 WeakPolarHBondContact CB-ND2 3.23Å; L73-N249 PolarHBondContact O-ND2 2.9Å; T74-N249 WeakPolarHBondContact CA-OD1 3.45Å; T74-N249 WeakPolarHBondContact CG2-O 3.47Å; K75-N249 WeakPolarHBondContact CB-O 3.49Å; K75-N249 WeakPolarHBondContact CG-O 3.25Å; K75-N249 PolarHBondContact N-O 3.48Å; H163-N249 PolarHBondContact CE1-OD1 3.35Å; H163-N249 PolarHBondContact ND1-OD1 3.03Å; T245-N249 VanDerWaalsContact O-CA 3.25Å; T245-N249 WeakPolarHBondContact O-CA 3.5Å; T245-N249 PolarHBondContact O-N 3.08Å |
| 250 | E | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -141.4 | 140.5 | 177.9 | -169.4 | 167.3 | 168.1 | 0 | 0 | 108.4 | K75 P77 I78 P209 S211 T245 F248 M252 | K75-E250 HydrophobicContact CB-CB 4Å; K75-E250 HydrophobicContact CB-CG 4.07Å; K75-E250 HydrophobicContact CD-CB 4.23Å; K75-E250 WeakPolarHBondContact CE-OE2 3.25Å; K75-E250 IonicContact NZ-OE2 2.71Å; K75-E250 PolarHBondContact NZ-OE2 2.92Å; P77-E250 WeakPolarHBondContact CA-OE1 3.37Å; I78-E250 PolarHBondContact N-OE1 2.87Å; P209-E250 HydrophobicContact CB-CB 4.13Å; P209-E250 HydrophobicContact CB-CG 4.07Å; P209-E250 HydrophobicContact CG-CB 4.29Å; S211-E250 VanDerWaalsContact CB-OE2 3.31Å; S211-E250 WeakPolarHBondContact CB-OE2 3.45Å; S211-E250 PolarHBondContact OG-OE2 3.14Å; T245-E250 WeakPolarHBondContact CA-O 3.36Å; F248-E250 PolarHBondContact O-N 3.44Å; E250-M252 PolarHBondContact O-N 2.97Å |
| 251 | W | 92.9 | Very high | 90.7 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 13% | 0.125 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 117.5 | 177 | -77.4 | 106.9 | 0 | 0 | 0 | 110.1 | P140 I142 H163 W241 T245 | P140-W251 HydrophobicContact CB-CH2 4.33Å; P140-W251 HydrophobicContact CB-CZ3 4.46Å; P140-W251 HydrophobicContact CG-CD2 3.94Å; P140-W251 HydrophobicContact CG-CE3 3.95Å; P140-W251 HydrophobicContact CG-CH2 4Å; P140-W251 HydrophobicContact CG-CZ2 3.98Å; P140-W251 HydrophobicContact CG-CZ3 3.99Å; I142-W251 HydrophobicContact CD1-CH2 3.99Å; I142-W251 HydrophobicContact CD1-CZ3 4.2Å; H163-W251 HydrophobicContact CB-CH2 4.32Å; H163-W251 HydrophobicContact CB-CZ2 3.56Å; H163-W251 WeakPolarHBondContact O-CZ2 3.42Å; H163-W251 PolarHBondContact O-NE1 3.12Å; H163-W251 VanDerWaalsContact O-NE1 3.15Å; W241-W251 HydrophobicContact CE3-CZ3 4.37Å; W241-W251 AromaticContact CH2-CE3 3.65Å; W241-W251 HydrophobicContact CH2-CE3 3.65Å; W241-W251 AromaticContact CH2-CZ3 3.56Å; W241-W251 HydrophobicContact CH2-CZ3 3.56Å; W241-W251 AromaticContact CZ2-CE3 3.76Å; W241-W251 HydrophobicContact CZ2-CE3 3.76Å; W241-W251 HydrophobicContact CZ2-CZ3 4.13Å; W241-W251 HydrophobicContact CZ3-CE3 4.19Å; W241-W251 AromaticContact CZ3-CZ3 3.7Å; W241-W251 HydrophobicContact CZ3-CZ3 3.7Å; T245-W251 HydrophobicContact CG2-CD2 3.99Å; T245-W251 HydrophobicContact CG2-CE3 3.81Å; T245-W251 HydrophobicContact CG2-CG 4.46Å; T245-W251 HydrophobicContact CG2-CZ3 4.2Å |
| 252 | M | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 155.7 | -171.6 | -56.5 | -64.1 | -68.3 | 0 | 0 | 112.9 | Y207 Y208 P209 W241 D244 F248 E250 E254 Y257 | Y207-M252 WeakPolarHBondContact O-CE 2.99Å; Y208-M252 VanDerWaalsContact C-CE 3.41Å; P209-M252 HydrophobicContact CB-CE 4.39Å; P209-M252 HydrophobicContact CB-SD 3.79Å; P209-M252 HydrophobicContact CG-CE 4.42Å; P209-M252 HydrophobicContact CG-SD 3.93Å; W241-M252 PolarHBondContact NE1-O 2.9Å; D244-M252 HydrophobicContact CB-CE 3.79Å; D244-M252 HydrophobicContact CB-CG 3.86Å; D244-M252 HydrophobicContact CB-SD 4.03Å; F248-M252 HydrophobicContact CB-SD 4.21Å; F248-M252 HydrophobicContact CD2-CE 3.75Å; F248-M252 HydrophobicContact CD2-SD 3.64Å; F248-M252 HydrophobicContact CE2-CE 3.86Å; F248-M252 HydrophobicContact CE2-SD 4.37Å; F248-M252 HydrophobicContact CG-SD 4.22Å; E250-M252 PolarHBondContact O-N 2.97Å; M252-E254 PolarHBondContact O-N 2.9Å; M252-Y257 HydrophobicContact CB-CE2 3.9Å; M252-Y257 WeakPolarHBondContact CE-OH 3.49Å |
| 253 | N | 89.6 | Confident | 88.7 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 127.6 | 173.8 | -162.2 | -66.9 | 0 | 0 | 0 | 110.4 | R192 D210 E255 Y257 | R192-N253 PolarHBondContact NH2-OD1 2.71Å; R192-N253 VanDerWaalsContact NH2-OD1 3.1Å; D210-N253 WeakPolarHBondContact OD1-CB 3.37Å; D210-N253 PolarHBondContact OD1-ND2 2.71Å; N253-E255 PolarHBondContact OD1-N 3.36Å; N253-Y257 WeakPolarHBondContact O-CD2 3.47Å; N253-Y257 WeakPolarHBondContact O-CE2 3.18Å |
| 254 | E | 88.7 | Confident | 87.8 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -74.1 | -33.2 | -169.1 | -57.9 | 88.7 | 160 | 0 | 0 | 112.8 | K79 W241 M252 D256 Y257 E258 | K79-E254 IonicContact NZ-OE2 2.68Å; W241-E254 HydrophobicContact CZ2-CG 4.16Å; M252-E254 PolarHBondContact O-N 2.9Å; E254-D256 VanDerWaalsContact C-N 3.31Å; E254-D256 PolarHBondContact O-N 2.95Å; E254-Y257 PolarHBondContact O-N 2.89Å; E254-E258 WeakPolarHBondContact O-CG 3.03Å |
| 255 | E | 86.6 | Confident | 87 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -65.5 | -32.7 | -174.4 | -61.2 | -171.4 | 101.3 | 0 | 0 | 113.3 | R192 P229 N253 Y257 E258 R269 | R192-E255 IonicContact CZ-OE2 3.89Å; R192-E255 IonicContact NH1-OE2 3.87Å; R192-E255 PolarHBondContact NH1-OE2 2.84Å; R192-E255 IonicContact NH2-OE2 2.94Å; R192-E255 PolarHBondContact NH2-OE2 2.83Å; P229-E255 WeakPolarHBondContact CB-OE1 3.27Å; N253-E255 PolarHBondContact OD1-N 3.36Å; E255-Y257 PolarHBondContact O-N 3.2Å; E255-Y257 VanDerWaalsContact O-N 3.15Å; E255-E258 PolarHBondContact O-N 2.97Å; E255-R269 VanDerWaalsContact CD-NE 3.3Å; E255-R269 IonicContact OE1-CZ 2.71Å; E255-R269 IonicContact OE1-NE 3.31Å; E255-R269 PolarHBondContact OE1-NE 3.03Å; E255-R269 IonicContact OE1-NH2 2.96Å; E255-R269 PolarHBondContact OE1-NH2 3.44Å; E255-R269 IonicContact OE2-CZ 2.71Å; E255-R269 IonicContact OE2-NE 2.8Å; E255-R269 PolarHBondContact OE2-NE 3.15Å; E255-R269 IonicContact OE2-NH2 2.63Å; E255-R269 PolarHBondContact OE2-NH2 2.98Å |
| 256 | D | 88.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -64.7 | -19.1 | -175.9 | -85.6 | 38 | 0 | 0 | 0 | 113.4 | W190 R192 H204 G206 Y207 E254 | W190-D256 WeakPolarHBondContact CH2-OD1 3.35Å; W190-D256 WeakPolarHBondContact CH2-OD2 3.31Å; W190-D256 HydrophobicContact CZ2-CB 4.45Å; W190-D256 VanDerWaalsContact CZ2-OD2 3.31Å; W190-D256 WeakPolarHBondContact CZ2-OD2 3.35Å; R192-D256 IonicContact CZ-OD1 2.84Å; R192-D256 IonicContact NE-OD1 2.71Å; R192-D256 IonicContact NH2-OD1 2.72Å; R192-D256 PolarHBondContact NH2-OD1 2.8Å; H204-D256 IonicContact CD2-OD1 3.19Å; H204-D256 IonicContact NE2-OD1 2.68Å; H204-D256 IonicContact NE2-OD2 3.7Å; G206-D256 VanDerWaalsContact CA-OD2 3.25Å; G206-D256 WeakPolarHBondContact CA-OD2 3.41Å; Y207-D256 HydrophobicContact CD1-CB 4.38Å; Y207-D256 VanDerWaalsContact CE1-O 3.22Å; Y207-D256 WeakPolarHBondContact CE1-O 3.36Å; Y207-D256 PolarHBondContact N-OD2 2.88Å; E254-D256 VanDerWaalsContact C-N 3.31Å; E254-D256 PolarHBondContact O-N 2.95Å |
| 257 | Y | 90.8 | Very high | 84.8 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -115.4 | 9.5 | -173.2 | -58.6 | -95.1 | 0 | 0 | 0 | 113.1 | Y207 I237 H238 K240 W241 D244 M252 N253 E254 E255 | Y207-Y257 WeakPolarHBondContact CA-OH 3.44Å; Y207-Y257 HydrophobicContact CD1-CD1 4.14Å; Y207-Y257 AromaticContact CD1-CE1 3.69Å; Y207-Y257 HydrophobicContact CD1-CE1 3.69Å; Y207-Y257 HydrophobicContact CD1-CE2 4.33Å; Y207-Y257 AromaticContact CD1-CZ 3.78Å; Y207-Y257 HydrophobicContact CE1-CD1 4.43Å; Y207-Y257 HydrophobicContact CE1-CE1 4.38Å; Y207-Y257 PolarHBondContact O-OH 2.91Å; I237-Y257 CarbonylContact C-O 3.55Å; I237-Y257 WeakPolarHBondContact CA-O 3.5Å; H238-Y257 PolarHBondContact CD2-O 3.39Å; H238-Y257 AromaticContact CE1-CD1 3.8Å; H238-Y257 PolarHBondContact N-O 2.86Å; H238-Y257 AromaticContact NE2-CD1 3.85Å; K240-Y257 HydrophobicContact CB-CD1 3.98Å; K240-Y257 HydrophobicContact CB-CE1 3.93Å; K240-Y257 HydrophobicContact CD-CE1 4.24Å; K240-Y257 HydrophobicContact CG-CE1 4.04Å; W241-Y257 HydrophobicContact CB-CD1 3.83Å; W241-Y257 HydrophobicContact CB-CD2 4.07Å; W241-Y257 HydrophobicContact CB-CE1 4.32Å; W241-Y257 HydrophobicContact CB-CG 3.67Å; W241-Y257 AromaticContact CD1-CD2 3.56Å; W241-Y257 AromaticContact CD1-CE2 3.92Å; W241-Y257 HydrophobicContact CG-CD2 4.21Å; W241-Y257 HydrophobicContact CG-CG 4.27Å; W241-Y257 VanDerWaalsContact N-CD1 3.25Å; D244-Y257 WeakPolarHBondContact OD2-CE1 3.47Å; D244-Y257 VanDerWaalsContact OD2-CZ 3.27Å; D244-Y257 PolarHBondContact OD2-OH 3.21Å; M252-Y257 HydrophobicContact CB-CE2 3.9Å; M252-Y257 WeakPolarHBondContact CE-OH 3.49Å; N253-Y257 WeakPolarHBondContact O-CD2 3.47Å; N253-Y257 WeakPolarHBondContact O-CE2 3.18Å; E254-Y257 PolarHBondContact O-N 2.89Å; E255-Y257 PolarHBondContact O-N 3.2Å; E255-Y257 VanDerWaalsContact O-N 3.15Å |
| 258 | E | 89.1 | Confident | 83 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -70.5 | 144.8 | -173 | -69.2 | -173.5 | 127.8 | 0 | 0 | 112.7 | R235 K236 I237 E254 E255 P265 V266 R268 | R235-E258 IonicContact CZ-OE1 3.89Å; R235-E258 IonicContact NH1-OE1 2.71Å; R235-E258 PolarHBondContact NH1-OE1 3.43Å; R235-E258 IonicContact NH1-OE2 2.65Å; K236-E258 CarbonylContact O-C 3.54Å; K236-E258 VanDerWaalsContact O-CA 3.24Å; K236-E258 WeakPolarHBondContact O-CA 3.45Å; I237-E258 HydrophobicContact CG2-CG 3.84Å; E254-E258 WeakPolarHBondContact O-CG 3.03Å; E255-E258 PolarHBondContact O-N 2.97Å; E258-P265 CarbonylContact O-C 3.51Å; E258-P265 WeakPolarHBondContact O-CA 3.48Å; E258-V266 HydrophobicContact CB-CB 4.39Å; E258-V266 HydrophobicContact CB-CG2 4.27Å; E258-V266 PolarHBondContact O-N 3.3Å; E258-R268 IonicContact OE1-CZ 2.85Å; E258-R268 IonicContact OE1-NH2 2.6Å; E258-R268 PolarHBondContact OE1-NH2 3.38Å; E258-R268 IonicContact OE2-CZ 2.65Å; E258-R268 VanDerWaalsContact OE2-CZ 3.24Å; E258-R268 IonicContact OE2-NE 2.6Å; E258-R268 PolarHBondContact OE2-NE 3.41Å; E258-R268 IonicContact OE2-NH2 2.64Å; E258-R268 PolarHBondContact OE2-NH2 2.95Å |
| 259 | V | 86.5 | Confident | 81.7 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -125.1 | 142.7 | 177.4 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | Y179 P182 K236 H238 N264 | Y179-V259 HydrophobicContact CD2-CG2 3.53Å; Y179-V259 HydrophobicContact CE2-CG2 4.12Å; Y179-V259 HydrophobicContact CG-CG2 3.98Å; P182-V259 HydrophobicContact CG-CG1 4.29Å; K236-V259 HydrophobicContact CB-CG2 4.16Å; K236-V259 WeakPolarHBondContact CB-O 3.4Å; K236-V259 PolarHBondContact O-N 3.47Å; H238-V259 HydrophobicContact CB-CG1 3.97Å; V259-N264 CarbonylContact C-O 3.59Å; V259-N264 VanDerWaalsContact CA-O 3.24Å; V259-N264 WeakPolarHBondContact CA-O 3.4Å |
| 260 | N | 82.2 | Confident | 80.3 | Confident | 54 Ų | 54 | 53 Ų | 53 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | trans | -76 | 179.7 | 174.6 | 81.4 | -21.8 | 0 | 0 | 0 | 111 | D262 K263 N264 V266 | N260-D262 PolarHBondContact ND2-OD2 3.34Å; N260-D262 PolarHBondContact O-N 3.28Å; N260-D262 WeakPolarHBondContact OD1-CA 3.24Å; N260-D262 WeakPolarHBondContact OD1-CB 3.31Å; N260-D262 PolarHBondContact OD1-N 2.99Å; N260-D262 VanDerWaalsContact OD1-N 3.12Å; N260-K263 WeakPolarHBondContact O-CA 3.35Å; N260-K263 PolarHBondContact O-N 3.49Å; N260-K263 PolarHBondContact OD1-N 3.26Å; N260-K263 VanDerWaalsContact OD1-N 3.14Å; N260-N264 PolarHBondContact N-O 2.93Å; N260-N264 PolarHBondContact OD1-N 2.85Å; N260-N264 PolarHBondContact OD1-O 3.13Å; N260-V266 HydrophobicContact CB-CG2 4.05Å; N260-V266 VanDerWaalsContact N-CG2 3.29Å | ||
| 261 | D | 76.3 | Confident | 79.6 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 61% | 0.61 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.6 | 178.4 | -72.6 | -76.6 | 0 | 0 | 0 | 113.8 | K236 K263 | K236-D261 IonicContact NZ-OD1 3.62Å; K236-D261 PolarHBondContact NZ-OD1 2.66Å; K236-D261 IonicContact NZ-OD2 3.18Å; K236-D261 PolarHBondContact NZ-OD2 3.47Å; D261-K263 PolarHBondContact O-N 2.93Å |
| 262 | D | 72.3 | Confident | 79.1 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 64% | 0.642 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 1.2 | 169 | -45.3 | -62.1 | 0 | 0 | 0 | 113.4 | N260 N264 | N260-D262 PolarHBondContact ND2-OD2 3.34Å; N260-D262 PolarHBondContact O-N 3.28Å; N260-D262 WeakPolarHBondContact OD1-CA 3.24Å; N260-D262 WeakPolarHBondContact OD1-CB 3.31Å; N260-D262 PolarHBondContact OD1-N 2.99Å; N260-D262 VanDerWaalsContact OD1-N 3.12Å; D262-N264 WeakPolarHBondContact CB-ND2 3.38Å; D262-N264 PolarHBondContact O-N 2.92Å |
| 263 | K | 74.6 | Confident | 78.7 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 67.3 | 16.2 | -178.3 | -48 | 165 | -173.8 | 171.3 | 0 | 114.5 | E147 Y179 N260 D261 | E147-K263 IonicContact OE1-NZ 2.83Å; E147-K263 PolarHBondContact OE1-NZ 2.87Å; E147-K263 IonicContact OE2-NZ 2.74Å; E147-K263 PolarHBondContact OE2-NZ 2.84Å; Y179-K263 HydrophobicContact CD1-CD 4.03Å; Y179-K263 HydrophobicContact CD1-CG 3.77Å; Y179-K263 HydrophobicContact CE1-CD 4.33Å; Y179-K263 HydrophobicContact CE1-CG 3.96Å; N260-K263 WeakPolarHBondContact O-CA 3.35Å; N260-K263 PolarHBondContact O-N 3.49Å; N260-K263 PolarHBondContact OD1-N 3.26Å; N260-K263 VanDerWaalsContact OD1-N 3.14Å; D261-K263 PolarHBondContact O-N 2.93Å |
| 264 | N | 76.3 | Confident | 78 | Confident | 94 Ų | 94 | 57.9 Ų | 57.9 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | trans | -85.6 | 147.9 | 173.8 | -66.4 | -57.6 | 0 | 0 | 0 | 110.8 | V259 N260 D262 V266 | V259-N264 CarbonylContact C-O 3.59Å; V259-N264 VanDerWaalsContact CA-O 3.24Å; V259-N264 WeakPolarHBondContact CA-O 3.4Å; N260-N264 PolarHBondContact N-O 2.93Å; N260-N264 PolarHBondContact OD1-N 2.85Å; N260-N264 PolarHBondContact OD1-O 3.13Å; D262-N264 WeakPolarHBondContact CB-ND2 3.38Å; D262-N264 PolarHBondContact O-N 2.92Å; N264-V266 PolarHBondContact O-N 2.79Å | ||
| 265 | P | 77.1 | Confident | 77.1 | Confident | 49 Ų | 49 | 61 Ų | 61 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -56.4 | 134.6 | 176.3 | -24 | 33.4 | 0 | 0 | 0 | 112.9 | P182 L185 E258 | P182-P265 HydrophobicContact CB-CG 4.14Å; P182-P265 HydrophobicContact CG-CG 4.04Å; L185-P265 HydrophobicContact CD1-CG 3.92Å; E258-P265 CarbonylContact O-C 3.51Å; E258-P265 WeakPolarHBondContact O-CA 3.48Å |
| 266 | V | 76.2 | Confident | 76.2 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 29% | 0.291 | 34% | 0.335 | S | S | . | . | trans | -88.5 | 112.3 | 178 | -164.5 | 0 | 0 | 0 | 0 | 110.6 | E258 N260 N264 R268 | E258-V266 HydrophobicContact CB-CB 4.39Å; E258-V266 HydrophobicContact CB-CG2 4.27Å; E258-V266 PolarHBondContact O-N 3.3Å; N260-V266 HydrophobicContact CB-CG2 4.05Å; N260-V266 VanDerWaalsContact N-CG2 3.29Å; N264-V266 PolarHBondContact O-N 2.79Å; V266-R268 VanDerWaalsContact C-N 3.27Å; V266-R268 HydrophobicContact CB-CG 4.21Å; V266-R268 HydrophobicContact CG1-CB 4.4Å; V266-R268 HydrophobicContact CG1-CG 3.45Å; V266-R268 VanDerWaalsContact CG1-CG 3.45Å; V266-R268 PolarHBondContact O-N 3.29Å; V266-R268 VanDerWaalsContact O-N 3.08Å | ||
| 267 | S | 66.1 | Low | 75 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | trans | -82.1 | 71.4 | 165.2 | -69.1 | 0 | 0 | 0 | 0 | 110.4 | R269 | S267-R269 PolarHBondContact O-N 3.13Š| ||
| 268 | R | 56.2 | Low | 73.3 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | trans | -64.6 | -24.4 | 177.5 | -68.3 | -155.9 | -151.6 | -128.1 | 16.9 | 113.4 | E232 E258 V266 | E232-R268 IonicContact OE2-CZ 3.33Å; E232-R268 VanDerWaalsContact OE2-CZ 3.31Å; E232-R268 IonicContact OE2-NH1 3.24Å; E232-R268 PolarHBondContact OE2-NH1 3.17Å; E232-R268 IonicContact OE2-NH2 2.66Å; E232-R268 PolarHBondContact OE2-NH2 3.48Å; E258-R268 IonicContact OE1-CZ 2.85Å; E258-R268 IonicContact OE1-NH2 2.6Å; E258-R268 PolarHBondContact OE1-NH2 3.38Å; E258-R268 IonicContact OE2-CZ 2.65Å; E258-R268 VanDerWaalsContact OE2-CZ 3.24Å; E258-R268 IonicContact OE2-NE 2.6Å; E258-R268 PolarHBondContact OE2-NE 3.41Å; E258-R268 IonicContact OE2-NH2 2.64Å; E258-R268 PolarHBondContact OE2-NH2 2.95Å; V266-R268 VanDerWaalsContact C-N 3.27Å; V266-R268 HydrophobicContact CB-CG 4.21Å; V266-R268 HydrophobicContact CG1-CB 4.4Å; V266-R268 HydrophobicContact CG1-CG 3.45Å; V266-R268 VanDerWaalsContact CG1-CG 3.45Å; V266-R268 PolarHBondContact O-N 3.29Å; V266-R268 VanDerWaalsContact O-N 3.08Å | ||
| 269 | R | 65.8 | Low | 71.1 | Confident | 47 Ų | 47 | 75.3 Ų | 75.3 | 18% | 0.177 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -133.9 | 157.6 | -158.4 | -73.7 | 173.6 | 176.7 | -85.4 | 2.1 | 112.1 | E226 D227 E255 S267 K271 | E226-R269 WeakPolarHBondContact OE1-CA 3.31Å; E226-R269 WeakPolarHBondContact OE1-CB 3.32Å; E226-R269 VanDerWaalsContact OE2-CB 3.32Å; E226-R269 WeakPolarHBondContact OE2-CB 3.42Å; E226-R269 WeakPolarHBondContact OE2-CD 3.47Å; E226-R269 WeakPolarHBondContact OE2-CG 3.3Å; E226-R269 IonicContact OE2-CZ 3.95Å; E226-R269 IonicContact OE2-NE 3.91Å; E226-R269 IonicContact OE2-NH1 2.88Å; E226-R269 PolarHBondContact OE2-NH1 3.04Å; D227-R269 PolarHBondContact O-NH1 2.96Å; D227-R269 PolarHBondContact O-NH2 2.88Å; E255-R269 VanDerWaalsContact CD-NE 3.3Å; E255-R269 IonicContact OE1-CZ 2.71Å; E255-R269 IonicContact OE1-NE 3.31Å; E255-R269 PolarHBondContact OE1-NE 3.03Å; E255-R269 IonicContact OE1-NH2 2.96Å; E255-R269 PolarHBondContact OE1-NH2 3.44Å; E255-R269 IonicContact OE2-CZ 2.71Å; E255-R269 IonicContact OE2-NE 2.8Å; E255-R269 PolarHBondContact OE2-NE 3.15Å; E255-R269 IonicContact OE2-NH2 2.63Å; E255-R269 PolarHBondContact OE2-NH2 2.98Å; S267-R269 PolarHBondContact O-N 3.13Å; R269-K271 PolarHBondContact O-N 3.45Å |
| 270 | K | 65.1 | Low | 68.7 | Low | 162 Ų | 162 | 81 Ų | 81 | 70% | 0.704 | 42% | 0.417 | S | S | * | . | trans | -76.7 | 90.8 | -177.6 | -78.6 | -175.2 | 178.8 | 176.6 | 0 | 111.3 | E226 I272 | E226-K270 PolarHBondContact OE1-N 3.35Å; K270-I272 PolarHBondContact O-N 3.43Å | ||
| 271 | K | 78.7 | Confident | 66.5 | Low | 79 Ų | 79 | 85.1 Ų | 85.1 | 34% | 0.343 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 120.2 | 173.5 | -60.4 | -172.5 | 173.1 | 179.8 | 0 | 110.7 | W190 R269 | W190-K271 HydrophobicContact CB-CB 4.09Å; W190-K271 HydrophobicContact CD2-CB 4.04Å; W190-K271 HydrophobicContact CD2-CD 3.67Å; W190-K271 HydrophobicContact CD2-CG 3.7Å; W190-K271 HydrophobicContact CE3-CB 3.96Å; W190-K271 HydrophobicContact CE3-CD 4.1Å; W190-K271 HydrophobicContact CE3-CG 3.61Å; W190-K271 HydrophobicContact CG-CB 4.11Å; W190-K271 HydrophobicContact CG-CD 3.94Å; W190-K271 HydrophobicContact CG-CG 4.17Å; W190-K271 HydrophobicContact CZ2-CD 4.26Å; W190-K271 HydrophobicContact CZ3-CG 4.03Å; R269-K271 PolarHBondContact O-N 3.45Å |
| 272 | I | 83.2 | Confident | 64.3 | Low | 42 Ų | 42 | 86.9 Ų | 86.9 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.8 | 173.8 | -61.4 | 168.5 | 0 | 0 | 0 | 107.3 | W190 V191 I221 A223 K270 A274 L277 | W190-I272 CarbonylContact C-O 3.46Å; W190-I272 WeakPolarHBondContact CA-O 3.32Å; W190-I272 WeakPolarHBondContact CB-O 3.47Å; V191-I272 HydrophobicContact CG2-CB 4.13Å; V191-I272 HydrophobicContact CG2-CG2 4.38Å; V191-I272 PolarHBondContact N-O 3.41Å; V191-I272 PolarHBondContact O-N 3.39Å; I221-I272 HydrophobicContact CD1-CD1 3.68Å; I221-I272 HydrophobicContact CG1-CD1 4.15Å; A223-I272 HydrophobicContact CB-CD1 3.77Å; K270-I272 PolarHBondContact O-N 3.43Å; I272-A274 PolarHBondContact O-N 2.99Å; I272-L277 HydrophobicContact CG2-CD1 4.05Å |
| 273 | S | 81.7 | Confident | 62.2 | Low | 31 Ų | 31 | 85.7 Ų | 85.7 | 22% | 0.217 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 128.5 | 178.5 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | E188 K275 T276 | E188-S273 PolarHBondContact OE1-OG 3.24Å; S273-K275 PolarHBondContact O-N 2.94Å; S273-T276 WeakPolarHBondContact O-CB 3.42Å; S273-T276 PolarHBondContact O-N 3.26Å |
| 274 | A | 76.1 | Confident | 60.4 | Low | 2 Ų | 2 | 87.7 Ų | 87.7 | 2% | 0.017 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E189 V191 W205 I272 T276 L277 T278 | E189-A274 HydrophobicContact CB-CB 3.83Å; E189-A274 WeakPolarHBondContact O-CB 3.49Å; E189-A274 PolarHBondContact O-N 3.47Å; V191-A274 HydrophobicContact CG1-CB 4.45Å; W205-A274 HydrophobicContact CZ3-CB 3.77Å; I272-A274 PolarHBondContact O-N 2.99Å; A274-T276 PolarHBondContact O-N 2.92Å; A274-L277 PolarHBondContact O-N 2.83Å; A274-T278 WeakPolarHBondContact O-CG2 3.2Å; A274-T278 PolarHBondContact O-N 2.95Å; A274-T278 VanDerWaalsContact O-N 3.17Å; A274-T278 PolarHBondContact O-OG1 3.32Å |
| 275 | K | 70.3 | Confident | 58.5 | Low | 114 Ų | 114 | 90.1 Ų | 90.1 | 50% | 0.496 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.1 | -41.4 | 177.9 | -60.3 | 173.3 | -167 | 145.2 | 0 | 111.7 | E188 S273 L277 T278 D279 | E188-K275 VanDerWaalsContact CD-NZ 3.32Å; E188-K275 WeakPolarHBondContact OE1-CE 3.32Å; E188-K275 IonicContact OE1-NZ 2.74Å; E188-K275 PolarHBondContact OE1-NZ 3.19Å; E188-K275 IonicContact OE2-NZ 3.51Å; S273-K275 PolarHBondContact O-N 2.94Å; K275-L277 PolarHBondContact O-N 3.05Å; K275-L277 VanDerWaalsContact O-N 3.09Å; K275-T278 WeakPolarHBondContact CA-OG1 3.13Å; K275-T278 PolarHBondContact O-N 2.83Å; K275-T278 VanDerWaalsContact O-N 3.16Å; K275-T278 PolarHBondContact O-OG1 3.2Å; K275-D279 WeakPolarHBondContact O-CB 3.13Å; K275-D279 PolarHBondContact O-N 3.33Å |
| 276 | T | 67.9 | Low | 56.2 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 70% | 0.699 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -14.5 | 179 | -47.7 | 0 | 0 | 0 | 0 | 113.4 | S273 A274 | S273-T276 WeakPolarHBondContact O-CB 3.42Å; S273-T276 PolarHBondContact O-N 3.26Å; A274-T276 PolarHBondContact O-N 2.92Å |
| 277 | L | 63.7 | Low | 54.1 | Low | 26 Ų | 26 | 96.9 Ų | 96.9 | 14% | 0.136 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -113.3 | -5.9 | 178.8 | -62.3 | 166.9 | 0 | 0 | 0 | 113.6 | M1 A2 V191 L203 I221 I272 A274 K275 | M1-L277 CarbonylContact C-O 3.58Å; M1-L277 WeakPolarHBondContact CA-O 3.3Å; A2-L277 HydrophobicContact CB-CB 3.83Å; A2-L277 HydrophobicContact CB-CD1 4.31Å; A2-L277 PolarHBondContact N-O 3.06Å; V191-L277 HydrophobicContact CG2-CD1 3.49Å; V191-L277 VanDerWaalsContact CG2-CD1 3.49Å; L203-L277 HydrophobicContact CD1-CD1 4.24Å; I221-L277 HydrophobicContact CD1-CD1 3.97Å; I272-L277 HydrophobicContact CG2-CD1 4.05Å; A274-L277 PolarHBondContact O-N 2.83Å; K275-L277 PolarHBondContact O-N 3.05Å; K275-L277 VanDerWaalsContact O-N 3.09Å |
| 278 | T | 54.7 | Low | 52.8 | Low | 69 Ų | 69 | 103.7 Ų | 103.7 | 42% | 0.423 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -115.7 | -28.2 | -177.3 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | A2 A274 K275 | A2-T278 VanDerWaalsContact O-CG2 3.32Å; A2-T278 WeakPolarHBondContact O-CG2 3.18Å; A274-T278 WeakPolarHBondContact O-CG2 3.2Å; A274-T278 PolarHBondContact O-N 2.95Å; A274-T278 VanDerWaalsContact O-N 3.17Å; A274-T278 PolarHBondContact O-OG1 3.32Å; K275-T278 WeakPolarHBondContact CA-OG1 3.13Å; K275-T278 PolarHBondContact O-N 2.83Å; K275-T278 VanDerWaalsContact O-N 3.16Å; K275-T278 PolarHBondContact O-OG1 3.2Å |
| 279 | D | 41.9 | Very low | 51.8 | Low | 127 Ų | 127 | 107.7 Ų | 107.7 | 68% | 0.679 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -87.1 | 145.8 | -174.9 | -127.2 | -29.1 | 0 | 0 | 0 | 111.9 | K275 | K275-D279 WeakPolarHBondContact O-CB 3.13Å; K275-D279 PolarHBondContact O-N 3.33Å |
| 280 | E | 36.5 | Very low | 50.3 | Low | 126 Ų | 126 | 112.6 Ų | 112.6 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | trans | -78.4 | 157.4 | 168.5 | -72 | -149.4 | 127.5 | 0 | 0 | 111 | M1 N282 | M1-E280 HydrophobicContact CE-CG 3.75Å; E280-N282 VanDerWaalsContact C-N 3.29Å; E280-N282 PolarHBondContact O-N 3.14Å | ||
| 281 | V | 36.8 | Very low | 48.8 | Very low | 140 Ų | 140 | 114.4 Ų | 114.4 | 85% | 0.848 | 59% | 0.593 | S | S | * | * | trans | -71.3 | 84.4 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 282 | N | 29 | Very low | 46.6 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 81% | 0.807 | 62% | 0.62 | S | S | * | * | trans | -71.9 | 147.6 | 158.5 | -152.6 | -15.3 | 0 | 0 | 0 | 109.4 | E280 | E280-N282 VanDerWaalsContact C-N 3.29Å; E280-N282 PolarHBondContact O-N 3.14Å | ||
| 283 | S | 29.4 | Very low | 44.1 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | trans | -61.9 | 131.8 | -159.4 | -172.3 | 0 | 0 | 0 | 0 | 113.8 | D285 | S283-D285 PolarHBondContact O-N 2.86Š| ||
| 284 | P | 36.6 | Very low | 41.5 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -79.2 | 79.8 | 177.7 | 33.2 | -35.7 | 0 | 0 | 0 | 111.9 | ||||
| 285 | D | 36.2 | Very low | 39.3 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | trans | -140.7 | 60.6 | 164.7 | -162.5 | 16.3 | 0 | 0 | 0 | 112.2 | S283 | S283-D285 PolarHBondContact O-N 2.86Š| ||
| 286 | S | 28.4 | Very low | 37.4 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | -177.8 | 136.9 | 155.9 | 21.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 287 | D | 32.6 | Very low | 35.7 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | cis | -146.2 | 143.5 | -3.1 | -139.5 | -41.1 | 0 | 0 | 0 | 111.8 | ||||
| 288 | R | 38.2 | Very low | 34 | Very low | 232 Ų | 232 | 143 Ų | 143 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | trans | -105.9 | 79 | 165.1 | -94.9 | -170.4 | 174.4 | -179.1 | 0.7 | 107.9 | ||||
| 289 | R | 35.2 | Very low | 32.9 | Very low | 202 Ų | 202 | 150.5 Ų | 150.5 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 171.3 | 155.2 | 160.7 | -95.2 | 160.8 | -74.4 | -173.2 | 0.8 | 107.7 | ||||
| 290 | D | 33.8 | Very low | 32.3 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | cis | -148.6 | 164.8 | -2.3 | -126.5 | -37.4 | 0 | 0 | 0 | 110 | ||||
| 291 | K | 33.3 | Very low | 32 | Very low | 201 Ų | 201 | 158.6 Ų | 158.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -124 | 124.5 | 177.1 | -168.6 | 168.9 | -174.6 | 170.1 | 0 | 112.1 | ||||
| 292 | K | 33.1 | Very low | 31.6 | Very low | 211 Ų | 211 | 157 Ų | 157 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | 102.8 | 108.5 | 163 | -165.5 | -177.7 | -175.5 | 179.5 | 0 | 116.6 | ||||
| 293 | G | 29.9 | Very low | 32.1 | Very low | 78 Ų | 78 | 155.6 Ų | 155.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 173.2 | 78.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 294 | G | 28.8 | Very low | 32.2 | Very low | 74 Ų | 74 | 156.5 Ų | 156.5 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 50 | 100.6 | 144.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 295 | N | 29.2 | Very low | 32.1 | Very low | 131 Ų | 131 | 156.9 Ų | 156.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | 50.2 | 117.2 | 122.8 | -168.2 | 16.3 | 0 | 0 | 0 | 120.7 | |||||
| 296 | Y | 30.1 | Very low | 32 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | 178.5 | 111.1 | 117.1 | -111.9 | -109.9 | 0 | 0 | 0 | 115.4 | |||||
| 297 | K | 32.6 | Very low | 32.3 | Very low | 142 Ų | 142 | 155.2 Ų | 155.2 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | trans | 35.3 | 115.1 | 144.7 | -62 | 169.4 | -175.9 | 160.6 | 0 | 123.7 | ||||
| 298 | K | 27.7 | Very low | 32.2 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | 70.4 | 148 | 133.2 | -60.5 | 177.3 | 179.4 | -179.3 | 0 | 117.5 | ||||
| 299 | R | 31.6 | Very low | 32.7 | Very low | 228 Ų | 228 | 149.8 Ų | 149.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | cis | -171.4 | 136.3 | 38.2 | -141.2 | 165.8 | -168 | 174 | 0.6 | 113.9 | ||||
| 300 | K | 29.3 | Very low | 32.2 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 38.4 | 118 | 148.3 | -70 | -165.1 | 172.8 | -168.4 | 0 | 124.7 | ||||
| 301 | R | 30.5 | Very low | 32.1 | Very low | 231 Ų | 231 | 144.7 Ų | 144.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | 52 | 114.9 | 120.9 | -78 | -166 | 177.8 | -157.4 | -1.1 | 123.3 | |||||
| 302 | S | 28.5 | Very low | 32 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 57.6 | 162.1 | 125.2 | 68.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 303 | P | 39.9 | Very low | 32 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | cis | -131.5 | -173.6 | -23.5 | 34.6 | -14.1 | 0 | 0 | 0 | 114.2 | ||||
| 304 | S | 30.3 | Very low | 32 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -68.7 | 161.5 | 172.3 | -36.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 305 | P | 35 | Very low | 32.2 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | -147.7 | 178.6 | 75 | 40.3 | -21.7 | 0 | 0 | 0 | 116.7 | |||||
| 306 | S | 33.4 | Very low | 32.2 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -79.8 | 163.6 | 170.5 | -45.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 307 | P | 36.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -157.5 | 131.9 | 95.2 | 37 | -15.9 | 0 | 0 | 0 | 119.1 | |||||
| 308 | T | 28.9 | Very low | 32.4 | Very low | 133 Ų | 133 | 151.1 Ų | 151.1 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | 61.7 | -173.5 | 134.9 | 82.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 309 | P | 49.4 | Very low | 32.4 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | -136.2 | 175.2 | -127.2 | 33.9 | -8.2 | 0 | 0 | 0 | 117.9 | |||||
| 310 | E | 25.1 | Very low | 33.1 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -164.1 | 173 | 145.2 | -107.9 | -129.3 | 93.8 | 0 | 0 | 112.2 | K312 | E310-K312 IonicContact OE1-NZ 3.19Å; E310-K312 PolarHBondContact OE1-NZ 3.2Å; E310-K312 IonicContact OE2-NZ 2.85Å | ||
| 311 | A | 31.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | trans | -140.6 | 172.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 312 | K | 30.8 | Very low | 33.2 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | 168.9 | 129.3 | 131.4 | -88 | 142.6 | -158.5 | 145.6 | 0 | 116 | E310 | E310-K312 IonicContact OE1-NZ 3.19Å; E310-K312 PolarHBondContact OE1-NZ 3.2Å; E310-K312 IonicContact OE2-NZ 2.85Å | ||
| 313 | K | 34.4 | Very low | 34 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | 74.3 | 158.6 | 145.4 | -66.1 | 175 | 177.8 | 175.7 | 0 | 117.2 | ||||
| 314 | K | 29.8 | Very low | 33.5 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | cis | -164.2 | 136.9 | 33.5 | -150.2 | 168.3 | -173.4 | 179 | 0 | 114.6 | ||||
| 315 | N | 31.1 | Very low | 33.4 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 65.7 | 152.5 | 149.9 | -74 | 11.5 | 0 | 0 | 0 | 121.9 | ||||
| 316 | A | 31.1 | Very low | 33.1 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 63% | 0.628 | 75% | 0.753 | S | S | * | * | cis | -170.7 | 156.6 | -13.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 317 | K | 34.2 | Very low | 32.9 | Very low | 205 Ų | 205 | 136.5 Ų | 136.5 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | 59.6 | 138 | 155.9 | -69.5 | 175.7 | 177.6 | -178.9 | 0 | 118.6 | ||||
| 318 | K | 32.3 | Very low | 32.5 | Very low | 205 Ų | 205 | 141 Ų | 141 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | cis | -140.1 | 173.7 | 29.1 | -62.5 | 176 | 177.7 | 174.2 | 0 | 112.9 | ||||
| 319 | G | 27 | Very low | 32.5 | Very low | 71 Ų | 71 | 146.6 Ų | 146.6 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -114.7 | -155.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 320 | P | 45.8 | Very low | 31.4 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -139.6 | 174.1 | 22.5 | 43.1 | -25.3 | 0 | 0 | 0 | 118.4 | ||||
| 321 | S | 29.5 | Very low | 31.7 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | 40.3 | 124.6 | 147.7 | 58.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 322 | T | 32.8 | Very low | 31.5 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | cis | 62.9 | 140.4 | 37.8 | 85.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 323 | P | 45.7 | Very low | 31.4 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | -152.6 | 149.4 | 83 | 40.9 | -22.1 | 0 | 0 | 0 | 118.8 | |||||
| 324 | Y | 29.1 | Very low | 31.2 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | 75.1 | 151.1 | 128.7 | -76.1 | -151 | 0 | 0 | 0 | 120.3 | |||||
| 325 | T | 28.7 | Very low | 31.1 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 61% | 0.613 | 77% | 0.774 | S | S | * | * | cis | -156 | 139.2 | -3.9 | 13.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 326 | K | 27.9 | Very low | 30.8 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | 68 | 131.2 | 79.2 | -147.2 | 177.5 | -175.1 | 176.7 | 0 | 112.3 | |||||
| 327 | S | 29.2 | Very low | 30.9 | Very low | 98 Ų | 98 | 152.7 Ų | 152.7 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | cis | -135.4 | -146.7 | 33.3 | 62.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 328 | K | 29.2 | Very low | 31.1 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | cis | -146.7 | -144 | 19.4 | -148 | 161.4 | -172 | 179.2 | 0 | 113.1 | ||||
| 329 | R | 28.5 | Very low | 31.2 | Very low | 251 Ų | 251 | 147.1 Ų | 147.1 | 95% | 0.947 | 76% | 0.76 | S | S | * | * | trans | -107.1 | 148.7 | -172 | -83.2 | 176.7 | 162 | 171.3 | -6.7 | 113.7 | ||||
| 330 | G | 26.7 | Very low | 31.5 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 179.8 | 145.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 331 | H | 31 | Very low | 31 | Very low | 174 Ų | 174 | 153 Ų | 153 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -165.4 | 125.7 | -179.1 | 175.6 | -57.5 | 0 | 0 | 0 | 110.3 | ||||
| 332 | R | 26.2 | Very low | 31.2 | Very low | 209 Ų | 209 | 155.6 Ų | 155.6 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | trans | 172 | 174.2 | 134 | -161.3 | 143.9 | -164 | -147.1 | -17.5 | 111.1 | ||||
| 333 | E | 29.7 | Very low | 31.1 | Very low | 124 Ų | 124 | 158.1 Ų | 158.1 | 58% | 0.579 | 78% | 0.776 | S | S | * | * | trans | -76.4 | 165.2 | -168.7 | -60.9 | 126.1 | 150.4 | 0 | 0 | 115.3 | ||||
| 334 | E | 29.4 | Very low | 30.8 | Very low | 178 Ų | 178 | 160.5 Ų | 160.5 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 14.9 | 126.4 | 146.4 | -57.7 | 171.9 | 143 | 0 | 0 | 119.8 | ||||
| 335 | E | 27.7 | Very low | 31.1 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | -178.4 | 149.2 | 106.3 | -103.7 | 179.8 | 161.8 | 0 | 0 | 114.7 | |||||
| 336 | Q | 26 | Very low | 31.4 | Very low | 142 Ų | 142 | 160.7 Ų | 160.7 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | 65.8 | 134.7 | 137.6 | -153.9 | 152.5 | 31 | 0 | 0 | 124.7 | ||||
| 337 | E | 33.3 | Very low | 31.6 | Very low | 148 Ų | 148 | 156.5 Ų | 156.5 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 25.6 | 131.9 | 153.2 | -67 | 149.5 | -139 | 0 | 0 | 123.2 | ||||
| 338 | D | 37.8 | Very low | 32.3 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -95.8 | 132.4 | 165.6 | -178.7 | 14.1 | 0 | 0 | 0 | 110.7 | ||||
| 339 | L | 34.6 | Very low | 32.4 | Very low | 135 Ų | 135 | 153.7 Ų | 153.7 | 71% | 0.707 | 79% | 0.786 | S | S | * | * | trans | -158.3 | 66 | -167 | -141.9 | 171.3 | 0 | 0 | 0 | 115.4 | ||||
| 340 | T | 33.8 | Very low | 32.9 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -164.8 | 128.2 | 156.3 | 20 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 341 | K | 35 | Very low | 33 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | cis | 61.9 | 75.5 | 12.3 | -158.4 | -170.8 | 177.9 | -177.1 | 0 | 116.4 | ||||
| 342 | D | 33.5 | Very low | 33 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -160.2 | 125.2 | 135.2 | -115.5 | -34.5 | 0 | 0 | 0 | 113 | ||||
| 343 | M | 31.3 | Very low | 33.2 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | 136.3 | 120.8 | 153.8 | -76.7 | -150.5 | 67.4 | 0 | 0 | 114.2 | ||||
| 344 | D | 38 | Very low | 33.3 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -87.8 | 164.7 | 175.8 | -75.4 | -81.7 | 0 | 0 | 0 | 113.5 | ||||
| 345 | E | 36.4 | Very low | 33.1 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -95.4 | 147.9 | -167.6 | 176.6 | -178.4 | -147.2 | 0 | 0 | 114.2 | ||||
| 346 | P | 34.3 | Very low | 33.2 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -119.8 | 108.9 | 161.3 | 34.9 | -22.7 | 0 | 0 | 0 | 114.4 | ||||
| 347 | S | 32.4 | Very low | 33.2 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | 14.5 | 142.4 | 148.3 | -169.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 348 | P | 43.9 | Very low | 33.2 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -63.9 | 173.2 | 169.5 | 30.4 | -37.6 | 0 | 0 | 0 | 113.3 | ||||
| 349 | V | 30.6 | Very low | 33 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | cis | -150.6 | -162.7 | 45.7 | -144.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 350 | P | 39.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | -104.1 | 171.2 | -124.6 | 43.2 | -29.7 | 0 | 0 | 0 | 115.7 | |||||
| 351 | N | 27.6 | Very low | 32.4 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -146.3 | 158.8 | 136.2 | -158.4 | 29.8 | 0 | 0 | 0 | 111.5 | ||||
| 352 | V | 31.6 | Very low | 32.1 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -105 | 133.5 | 180 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 353 | E | 29.5 | Very low | 32 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -152.2 | 151.3 | 159.5 | -137.7 | 160.7 | -147.9 | 0 | 0 | 112.1 | ||||
| 354 | E | 32 | Very low | 32 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -103.2 | 132.9 | -165.2 | -178.1 | -172.9 | 158.3 | 0 | 0 | 111.1 | ||||
| 355 | V | 26.8 | Very low | 31.8 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -133.4 | 110.2 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 356 | T | 28.2 | Very low | 31.3 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 152.1 | 172.3 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 357 | L | 27.5 | Very low | 31.4 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.9 | -174.1 | -67.6 | 151.1 | 0 | 0 | 0 | 115.3 | ||
| 358 | P | 33.3 | Very low | 31.3 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 142.2 | 160.6 | 33.4 | -31.5 | 0 | 0 | 0 | 112.3 | ||
| 359 | K | 33.7 | Very low | 30.8 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | -123.6 | 141.9 | 167 | -78.8 | -176.5 | 178.5 | 175.9 | 0 | 110.9 | ||||
| 360 | T | 29 | Very low | 31 | Very low | 138 Ų | 138 | 140 Ų | 140 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -139.5 | 159.1 | 155.3 | 55.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 361 | V | 26.7 | Very low | 30.8 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | cis | -144.4 | 137.6 | 34.4 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 362 | N | 27.5 | Very low | 31 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 47.7 | 125.8 | 158.9 | -60 | -8.1 | 0 | 0 | 0 | 119.1 | ||||
| 363 | T | 31.2 | Very low | 31.1 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -160.8 | -162.3 | 14.3 | 3.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 364 | K | 32.5 | Very low | 31.2 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | cis | -163 | 168 | 21.5 | -145 | 161.7 | -175.2 | 176.5 | 0 | 113.6 | ||||
| 365 | K | 32.8 | Very low | 31.1 | Very low | 161 Ų | 161 | 134 Ų | 134 | 70% | 0.7 | 78% | 0.781 | S | S | * | * | trans | -11.8 | 135 | 150.9 | -160.6 | 179.4 | -153.6 | -48.9 | 0 | 115.9 | ||||
| 366 | D | 26.8 | Very low | 31.3 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | cis | -134.7 | 170.5 | 16.7 | -102.7 | -37 | 0 | 0 | 0 | 114 | ||||
| 367 | S | 35.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | 0.1 | 131.3 | 162.9 | -66.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 368 | E | 30.9 | Very low | 31.8 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | 82.9 | 137.3 | 53.5 | -179.9 | 179.3 | -152.7 | 0 | 0 | 112.5 | |||||
| 369 | S | 34 | Very low | 31.7 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -137.4 | -150.1 | 20.4 | -153.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 370 | A | 33.5 | Very low | 31.9 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | trans | -128.8 | 163.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 371 | P | 35.4 | Very low | 32 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -86.8 | 158.8 | 170.6 | 35.5 | -34.6 | 0 | 0 | 0 | 113.4 | ||||
| 372 | V | 32.2 | Very low | 32.4 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -124.4 | 152 | -171.7 | 174.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 373 | K | 33.8 | Very low | 32.4 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | trans | -44.6 | 135.9 | -179.6 | -58.7 | 171.5 | 177.3 | 177.5 | 0 | 116.6 | ||||
| 374 | G | 31.5 | Very low | 32.3 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 88% | 0.876 | 76% | 0.763 | S | S | * | * | 91.4 | 134 | 112 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 375 | G | 30.7 | Very low | 32.1 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -175.9 | 159.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 376 | T | 31.3 | Very low | 32 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -143.7 | 152.7 | -167.4 | -32.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 377 | M | 31.6 | Very low | 32 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | 79.4 | 156.6 | 162.9 | -60.4 | -152.6 | -162.1 | 0 | 0 | 119.7 | ||||
| 378 | T | 34.1 | Very low | 31.8 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 62.8 | 125.5 | 167.4 | 45.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 379 | D | 31.6 | Very low | 31.6 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | cis | 86.1 | 148 | 34.3 | -163.3 | 29.1 | 0 | 0 | 0 | 113.5 | ||||
| 380 | L | 37.8 | Very low | 31.2 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 78.5 | 99.2 | -171.9 | -55 | 171.9 | 0 | 0 | 0 | 117.6 | ||||
| 381 | D | 31.3 | Very low | 31 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | 46.9 | 141.7 | 106.2 | -58.4 | -35.9 | 0 | 0 | 0 | 123.2 | |||||
| 382 | E | 34.3 | Very low | 30.8 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 66.2 | 150.5 | 141.3 | -72.3 | 174.5 | 174.4 | 0 | 0 | 119.9 | ||||
| 383 | Q | 28 | Very low | 30.8 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | cis | -168 | 136.1 | -14.2 | 169.1 | 172 | 9.3 | 0 | 0 | 110.7 | ||||
| 384 | E | 28.4 | Very low | 30.6 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | trans | 54.3 | 174.1 | 154.4 | -67.5 | 167 | 161.1 | 0 | 0 | 122.9 | ||||
| 385 | D | 28.4 | Very low | 30.8 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | 66.8 | 144.3 | 161.2 | -69.5 | -4 | 0 | 0 | 0 | 122.6 | ||||
| 386 | E | 31 | Very low | 30.8 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | cis | -164.6 | 144.9 | -29.5 | -153 | -157.9 | 152.3 | 0 | 0 | 109.4 | ||||
| 387 | S | 27 | Very low | 31 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | 63.5 | 174.4 | 158.4 | 86.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 388 | M | 31.1 | Very low | 30.8 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | cis | -154.9 | 133.1 | -6.6 | -165.1 | 160 | 170.1 | 0 | 0 | 110.2 | ||||
| 389 | E | 26.8 | Very low | 30.6 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 73% | 0.729 | 71% | 0.71 | S | S | * | * | trans | 57.7 | 169.6 | 153.1 | -74.8 | -166.4 | 140.8 | 0 | 0 | 120 | ||||
| 390 | T | 26.4 | Very low | 30.6 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 63% | 0.632 | 71% | 0.714 | S | S | * | * | cis | -150.5 | 169.2 | -6.3 | 4.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 391 | T | 28.8 | Very low | 30.1 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | trans | 70.3 | 132.6 | 166.4 | 71.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 392 | G | 30.7 | Very low | 30.1 | Very low | 67 Ų | 67 | 131.7 Ų | 131.7 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | cis | 156.6 | 167.4 | -13.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 393 | K | 31.7 | Very low | 29.9 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | 72.2 | 142 | 165.6 | -64.9 | -163.6 | 139.4 | -70.4 | 0 | 116.7 | ||||
| 394 | D | 30.9 | Very low | 30 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 52% | 0.519 | 73% | 0.726 | S | S | . | * | cis | -156.4 | 157.9 | -4.6 | -96.1 | -26.7 | 0 | 0 | 0 | 110.5 | ||||
| 395 | E | 33.8 | Very low | 30.1 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | 60.8 | 138 | 144.9 | -69.3 | 158.3 | -153.8 | 0 | 0 | 120 | ||||
| 396 | D | 32.2 | Very low | 30.3 | Very low | 148 Ų | 148 | 131 Ų | 131 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | cis | -154.4 | 171.4 | -3.5 | -139.4 | -14.7 | 0 | 0 | 0 | 115.3 | ||||
| 397 | E | 35.5 | Very low | 30.3 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | trans | -67 | 162.8 | -170.2 | -90.7 | -149.3 | 74.4 | 0 | 0 | 119.7 | S399 | E397-S399 WeakPolarHBondContact OE1-CB 3.22Å; E397-S399 PolarHBondContact OE1-N 3.42Å; E397-S399 PolarHBondContact OE1-OG 2.83Å | ||
| 398 | N | 27.8 | Very low | 31 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | -153.4 | 95.2 | 116 | -174.5 | 68.9 | 0 | 0 | 0 | 114.3 | |||||
| 399 | S | 29.6 | Very low | 30.9 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 43% | 0.434 | 73% | 0.733 | S | S | . | * | trans | -14.3 | 152 | 142.8 | -92.3 | 0 | 0 | 0 | 0 | 118.2 | E397 | E397-S399 WeakPolarHBondContact OE1-CB 3.22Å; E397-S399 PolarHBondContact OE1-N 3.42Å; E397-S399 PolarHBondContact OE1-OG 2.83Å | ||
| 400 | T | 30 | Very low | 31.9 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | cis | -162.5 | 171.3 | 24.8 | 33 | 0 | 0 | 0 | 0 | 109 | ||||
| 401 | G | 29.4 | Very low | 32.1 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | cis | 159.2 | 171.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 402 | N | 30.3 | Very low | 32.7 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 78 | 107.2 | 166 | -85.4 | -25 | 0 | 0 | 0 | 123.7 | ||||
| 403 | K | 30 | Very low | 33.3 | Very low | 195 Ų | 195 | 140.1 Ų | 140.1 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | 68.7 | 139.3 | 116 | -68.9 | 178.9 | -176.5 | -178.9 | 0 | 124.7 | |||||
| 404 | G | 29.4 | Very low | 33.8 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | 109 | 99.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 405 | E | 31.5 | Very low | 34.5 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | cis | 88.2 | 103 | 47.7 | -165.5 | 179.1 | 179.9 | 0 | 0 | 114.8 | ||||
| 406 | Q | 31.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 143 Ų | 143 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 53.6 | 135.6 | 158.2 | -53.1 | -179.3 | 64.9 | 0 | 0 | 118.1 | ||||
| 407 | T | 32.3 | Very low | 36.1 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | -172.3 | 136.8 | 50.8 | -48.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 408 | K | 40 | Very low | 37.1 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | trans | 28.6 | 124.2 | 155.3 | -56.3 | 168.4 | -173.9 | 172.8 | 0 | 120.8 | ||||
| 409 | N | 30.5 | Very low | 38.6 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | -164.9 | 170.4 | 107.8 | -107 | -13.6 | 0 | 0 | 0 | 111.5 | |||||
| 410 | P | 46.5 | Very low | 40.2 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -95.9 | 123 | -161.5 | 34.5 | -32.7 | 0 | 0 | 0 | 114.5 | ||||
| 411 | D | 31.6 | Very low | 42.4 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -146.4 | 138.5 | 145.5 | -123.8 | -41.9 | 0 | 0 | 0 | 108.4 | ||||
| 412 | L | 42.3 | Very low | 44.9 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -145.3 | 48.7 | -171.6 | -83.4 | 177.9 | 0 | 0 | 0 | 112 | ||||
| 413 | H | 42.5 | Very low | 47.6 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -148 | 16.3 | 175.7 | -135 | 55.1 | 0 | 0 | 0 | 119 | ||
| 414 | E | 42.9 | Very low | 50.5 | Low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -121.8 | -14.1 | 174.8 | -62.1 | -160.3 | 139.5 | 0 | 0 | 115.3 | N416 | E414-N416 PolarHBondContact O-N 3.38Š|
| 415 | D | 44.4 | Very low | 53.6 | Low | 161 Ų | 161 | 135.5 Ų | 135.5 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | -80.7 | 79.4 | 176.1 | -75.5 | -37.4 | 0 | 0 | 0 | 112.8 | ||||
| 416 | N | 46 | Very low | 56.5 | Low | 154 Ų | 154 | 131.1 Ų | 131.1 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -141 | 23.8 | 152.3 | -112.8 | -102 | 0 | 0 | 0 | 112.5 | E414 T418 | E414-N416 PolarHBondContact O-N 3.38Å; N416-T418 PolarHBondContact O-N 2.73Å | ||
| 417 | V | 53.4 | Low | 59.5 | Low | 131 Ų | 131 | 124 Ų | 124 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | trans | -74.2 | 93.3 | 162.7 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | E419 | V417-E419 PolarHBondContact O-N 3.45Š| ||
| 418 | T | 56.9 | Low | 62.5 | Low | 83 Ų | 83 | 124.3 Ų | 124.3 | 51% | 0.509 | 65% | 0.651 | S | S | . | * | trans | -57.2 | 130.6 | 168.9 | 48.8 | 0 | 0 | 0 | 0 | 109.3 | N416 Q420 L475 | N416-T418 PolarHBondContact O-N 2.73Å; T418-Q420 PolarHBondContact O-N 2.93Å; T418-Q420 VanDerWaalsContact O-N 3.1Å; T418-L475 HydrophobicContact CG2-CD2 4.27Å | ||
| 419 | E | 58.8 | Low | 65.1 | Low | 181 Ų | 181 | 121.4 Ų | 121.4 | 85% | 0.846 | 64% | 0.636 | S | S | * | * | trans | -53.4 | 120.3 | 178.3 | -71.4 | -166.9 | 134.2 | 0 | 0 | 110 | V417 T421 | V417-E419 PolarHBondContact O-N 3.45Å; E419-T421 VanDerWaalsContact C-N 3.3Å; E419-T421 PolarHBondContact O-N 3.24Å | ||
| 420 | Q | 64.4 | Low | 68.2 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | trans | -80.4 | 79.7 | -169 | -159.7 | -162.1 | -75.6 | 0 | 0 | 110.6 | T418 H422 I424 | T418-Q420 PolarHBondContact O-N 2.93Å; T418-Q420 VanDerWaalsContact O-N 3.1Å; Q420-H422 WeakPolarHBondContact CG-O 3.34Å; Q420-H422 PolarHBondContact NE2-O 2.85Å; Q420-H422 PolarHBondContact O-N 2.94Å; Q420-H422 VanDerWaalsContact O-N 3.15Å; Q420-I424 HydrophobicContact CG-CG1 4.35Å | ||
| 421 | T | 74.9 | Confident | 70.5 | Confident | 111 Ų | 111 | 112.4 Ų | 112.4 | 68% | 0.681 | 59% | 0.593 | S | S | * | * | trans | -60.5 | -20.7 | -177.7 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | E419 | E419-T421 VanDerWaalsContact C-N 3.3Å; E419-T421 PolarHBondContact O-N 3.24Å | ||
| 422 | H | 82.8 | Confident | 73.6 | Confident | 71 Ų | 71 | 107.4 Ų | 107.4 | 33% | 0.329 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -116.9 | 141 | -178.7 | -61.6 | 104.6 | 0 | 0 | 0 | 112.3 | Q420 I424 L475 P477 | Q420-H422 WeakPolarHBondContact CG-O 3.34Å; Q420-H422 PolarHBondContact NE2-O 2.85Å; Q420-H422 PolarHBondContact O-N 2.94Å; Q420-H422 VanDerWaalsContact O-N 3.15Å; H422-I424 PolarHBondContact O-N 3.32Å; H422-L475 PolarHBondContact CE1-O 2.94Å; H422-L475 VanDerWaalsContact CE1-O 3.3Å; H422-L475 PolarHBondContact ND1-O 3.49Å; H422-P477 HydrophobicContact CB-CG 3.63Å |
| 423 | H | 86.6 | Confident | 76.2 | Confident | 153 Ų | 153 | 100.9 Ų | 100.9 | 71% | 0.708 | 53% | 0.527 | S | S | * | . | trans | -78.6 | 101.5 | 176.6 | -174.6 | -62.6 | 0 | 0 | 0 | 111.1 | Q513 | H423-Q513 PolarHBondContact O-NE2 3.05Š| ||
| 424 | I | 92.1 | Very high | 78.8 | Confident | 26 Ų | 26 | 95.9 Ų | 95.9 | 13% | 0.133 | 51% | 0.507 | C | S | . | . | trans | -73.2 | 128.7 | 179.6 | -53.9 | -59.8 | 0 | 0 | 0 | 111.3 | Q420 H422 I426 R474 P477 | Q420-I424 HydrophobicContact CG-CG1 4.35Å; H422-I424 PolarHBondContact O-N 3.32Å; I424-I426 HydrophobicContact CG2-CG1 4.18Å; I424-R474 HydrophobicContact CD1-CB 4.01Å; I424-R474 HydrophobicContact CD1-CG 3.8Å; I424-R474 HydrophobicContact CG1-CB 4.36Å; I424-R474 HydrophobicContact CG1-CG 3.91Å; I424-P477 HydrophobicContact CD1-CB 3.77Å; I424-P477 HydrophobicContact CD1-CG 3.77Å | ||
| 425 | I | 93.3 | Very high | 81.2 | Confident | 91 Ų | 91 | 91.2 Ų | 91.2 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | trans | -106.9 | 129.6 | 172.7 | -63.4 | 167.1 | 0 | 0 | 0 | 108.4 | Y512 Q513 | I425-Y512 HydrophobicContact CG2-CD1 4.26Å; I425-Y512 HydrophobicContact CG2-CE1 3.92Å; I425-Q513 HydrophobicContact CB-CG 4.3Å; I425-Q513 VanDerWaalsContact CG1-NE2 3.25Å; I425-Q513 VanDerWaalsContact N-NE2 3.14Å | ||
| 426 | I | 93.6 | Very high | 83.6 | Confident | 72 Ų | 72 | 89.9 Ų | 89.9 | 37% | 0.369 | 47% | 0.474 | S | S | . | . | trans | -117.8 | 136.7 | 176 | -61.1 | 178 | 0 | 0 | 0 | 108.2 | I424 A430 L509 | I424-I426 HydrophobicContact CG2-CG1 4.18Å; I426-A430 HydrophobicContact CG2-CB 3.85Å; I426-L509 HydrophobicContact CG2-CD2 4.12Å | ||
| 427 | P | 94.8 | Very high | 85.9 | Confident | 8 Ų | 8 | 85.4 Ų | 85.4 | 5% | 0.052 | 46% | 0.455 | C | S | . | . | trans | -62 | 145.6 | 177.1 | -19.8 | 29.8 | 0 | 0 | 0 | 112.9 | Y429 A430 G508 Y512 | P427-Y429 HydrophobicContact CB-CD1 3.8Å; P427-Y429 HydrophobicContact CB-CD2 4.11Å; P427-Y429 HydrophobicContact CB-CE1 3.4Å; P427-Y429 HydrophobicContact CB-CE2 3.72Å; P427-Y429 HydrophobicContact CB-CG 4.14Å; P427-Y429 HydrophobicContact CG-CE1 4.19Å; P427-Y429 HydrophobicContact CG-CE2 4.05Å; P427-Y429 PolarHBondContact O-N 3.08Å; P427-A430 HydrophobicContact CB-CB 4.44Å; P427-A430 WeakPolarHBondContact O-CA 3.41Å; P427-A430 WeakPolarHBondContact O-CB 3.2Å; P427-A430 PolarHBondContact O-N 3.16Å; P427-G508 VanDerWaalsContact CD-O 3.31Å; P427-G508 WeakPolarHBondContact CD-O 3.48Å; P427-Y512 HydrophobicContact CG-CD1 4.1Å; P427-Y512 HydrophobicContact CG-CD2 3.94Å; P427-Y512 HydrophobicContact CG-CE1 3.94Å; P427-Y512 HydrophobicContact CG-CE2 3.79Å; P427-Y512 HydrophobicContact CG-CG 4.11Å | ||
| 428 | S | 94.6 | Very high | 88 | Confident | 112 Ų | 112 | 80 Ų | 80 | 78% | 0.783 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -58.2 | -32.5 | 179.2 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | A430 A431 | S428-A430 PolarHBondContact O-N 2.85Å; S428-A431 WeakPolarHBondContact O-CB 3.2Å; S428-A431 PolarHBondContact O-N 2.98Å |
| 429 | Y | 94.1 | Very high | 89.9 | Confident | 124 Ų | 124 | 79.2 Ų | 79.2 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -72.7 | -11.9 | 175.6 | 59.7 | -105.5 | 0 | 0 | 0 | 114 | P427 W432 W507 | P427-Y429 HydrophobicContact CB-CD1 3.8Å; P427-Y429 HydrophobicContact CB-CD2 4.11Å; P427-Y429 HydrophobicContact CB-CE1 3.4Å; P427-Y429 HydrophobicContact CB-CE2 3.72Å; P427-Y429 HydrophobicContact CB-CG 4.14Å; P427-Y429 HydrophobicContact CG-CE1 4.19Å; P427-Y429 HydrophobicContact CG-CE2 4.05Å; P427-Y429 PolarHBondContact O-N 3.08Å; Y429-W432 PolarHBondContact O-NE1 2.82Å; Y429-W507 AromaticContact CD2-CE3 3.76Å; Y429-W507 HydrophobicContact CD2-CE3 3.76Å; Y429-W507 AromaticContact CD2-CZ3 3.93Å; Y429-W507 HydrophobicContact CD2-CZ3 3.93Å; Y429-W507 HydrophobicContact CE2-CE3 4.18Å; Y429-W507 WeakPolarHBondContact O-CZ3 3.48Å |
| 430 | A | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -100.1 | 2.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I426 P427 S428 W432 F433 W507 L509 | I426-A430 HydrophobicContact CG2-CB 3.85Å; P427-A430 HydrophobicContact CB-CB 4.44Å; P427-A430 WeakPolarHBondContact O-CA 3.41Å; P427-A430 WeakPolarHBondContact O-CB 3.2Å; P427-A430 PolarHBondContact O-N 3.16Å; S428-A430 PolarHBondContact O-N 2.85Å; A430-W432 PolarHBondContact O-N 3.48Å; A430-F433 VanDerWaalsContact O-CB 3.32Å; A430-F433 WeakPolarHBondContact O-CB 3.31Å; A430-F433 PolarHBondContact O-N 2.93Å; A430-W507 VanDerWaalsContact CB-O 3.3Å; A430-W507 WeakPolarHBondContact CB-O 3.42Å; A430-L509 HydrophobicContact CB-CD2 4.09Å |
| 431 | A | 95.3 | Very high | 93.2 | Very high | 82 Ų | 82 | 69.1 Ų | 69.1 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -0.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S428 F433 | S428-A431 WeakPolarHBondContact O-CB 3.2Å; S428-A431 PolarHBondContact O-N 2.98Å; A431-F433 VanDerWaalsContact C-N 3.32Å |
| 432 | W | 96.1 | Very high | 94.3 | Very high | 50 Ų | 50 | 63.9 Ų | 63.9 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -14.1 | 167.3 | 59.8 | -100.8 | 0 | 0 | 0 | 113.1 | Y429 A430 H439 I441 E442 F503 W507 L509 | Y429-W432 PolarHBondContact O-NE1 2.82Å; A430-W432 PolarHBondContact O-N 3.48Å; W432-H439 AromaticContact CD2-ND1 3.44Å; W432-H439 HydrophobicContact CE3-CB 3.64Å; W432-H439 AromaticContact CE3-CE1 3.98Å; W432-H439 AromaticContact CE3-CG 3.54Å; W432-H439 AromaticContact CE3-ND1 3.01Å; W432-H439 AromaticContact CG-CE1 3.95Å; W432-H439 AromaticContact CG-ND1 3.85Å; W432-H439 HydrophobicContact CZ3-CB 3.84Å; W432-H439 AromaticContact CZ3-ND1 3.77Å; W432-I441 HydrophobicContact CD2-CD1 3.88Å; W432-I441 HydrophobicContact CG-CD1 3.93Å; W432-I441 HydrophobicContact CH2-CB 4.32Å; W432-I441 HydrophobicContact CH2-CG2 4.11Å; W432-I441 HydrophobicContact CZ2-CB 4.25Å; W432-I441 HydrophobicContact CZ2-CD1 4.35Å; W432-I441 HydrophobicContact CZ2-CG2 3.83Å; W432-I441 HydrophobicContact CZ3-CB 4.48Å; W432-E442 HydrophobicContact CH2-CG 3.88Å; W432-E442 HydrophobicContact CZ3-CG 3.67Å; W432-F503 HydrophobicContact CH2-CE1 4.35Å; W432-F503 AromaticContact CH2-CZ 3.89Å; W432-F503 HydrophobicContact CH2-CZ 3.89Å; W432-F503 HydrophobicContact CZ2-CZ 4.45Å; W432-W507 AromaticContact CE2-CE3 3.9Å; W432-W507 HydrophobicContact CZ2-CB 4.46Å; W432-W507 AromaticContact CZ2-CD2 3.6Å; W432-W507 HydrophobicContact CZ2-CD2 3.6Å; W432-W507 AromaticContact CZ2-CE2 3.95Å; W432-W507 AromaticContact CZ2-CE3 3.8Å; W432-W507 HydrophobicContact CZ2-CE3 3.8Å; W432-W507 AromaticContact CZ2-CG 3.88Å; W432-W507 HydrophobicContact CZ2-CG 3.88Å; W432-W507 HydrophobicContact CZ2-CZ2 4.46Å; W432-W507 HydrophobicContact CZ2-CZ3 4.32Å; W432-W507 AromaticContact NE1-CE3 3.38Å; W432-W507 AromaticContact NE1-CH2 3.83Å; W432-W507 AromaticContact NE1-CZ3 3.23Å; W432-L509 HydrophobicContact CH2-CD1 4.42Å |
| 433 | F | 97.1 | Very high | 95 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | trans | -72.7 | 130 | -177.3 | 175.5 | -95.9 | 0 | 0 | 0 | 111.4 | A430 A431 I470 L509 | A430-F433 VanDerWaalsContact O-CB 3.32Å; A430-F433 WeakPolarHBondContact O-CB 3.31Å; A430-F433 PolarHBondContact O-N 2.93Å; A431-F433 VanDerWaalsContact C-N 3.32Å; F433-I470 HydrophobicContact CE1-CD1 3.83Å; F433-I470 HydrophobicContact CE2-CD1 3.77Å; F433-I470 HydrophobicContact CZ-CD1 3.24Å; F433-L509 HydrophobicContact CB-CD1 4.11Å; F433-L509 HydrophobicContact CB-CD2 3.7Å; F433-L509 HydrophobicContact CD1-CD2 3.87Å; F433-L509 HydrophobicContact CD2-CD1 3.62Å; F433-L509 HydrophobicContact CD2-CD2 4.3Å; F433-L509 HydrophobicContact CE2-CD1 4.25Å; F433-L509 HydrophobicContact CG-CD1 3.84Å; F433-L509 HydrophobicContact CG-CD2 3.66Å; F433-L509 HydrophobicContact CG-CG 4.42Å | ||
| 434 | D | 95.9 | Very high | 95.4 | Very high | 73 Ų | 73 | 68 Ų | 68 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | trans | -123.2 | 127 | 175 | 173.3 | -1.7 | 0 | 0 | 0 | 107.7 | N436 S437 R466 | D434-N436 VanDerWaalsContact C-N 3.26Å; D434-N436 PolarHBondContact O-N 3.21Å; D434-N436 PolarHBondContact OD1-N 3.25Å; D434-S437 PolarHBondContact OD1-N 3.47Å; D434-S437 WeakPolarHBondContact OD2-CB 3.4Å; D434-R466 PolarHBondContact O-NH1 3.42Å; D434-R466 PolarHBondContact O-NH2 3.22Å | ||
| 435 | Y | 94.6 | Very high | 95.6 | Very high | 82 Ų | 82 | 69.2 Ų | 69.2 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -65.9 | -27.4 | -179.7 | 177.5 | -95.2 | 0 | 0 | 0 | 113.1 | R466 N467 D471 | Y435-R466 PolarHBondContact O-NH2 2.85Å; Y435-N467 HydrophobicContact CD2-CB 4.37Å; Y435-N467 WeakPolarHBondContact CE1-ND2 3.33Å; Y435-N467 HydrophobicContact CE2-CB 3.55Å; Y435-N467 WeakPolarHBondContact CE2-ND2 3.09Å; Y435-N467 PolarHBondContact O-ND2 3.37Å; Y435-N467 PolarHBondContact OH-ND2 3.24Å; Y435-D471 WeakPolarHBondContact CE2-OD1 3.42Å; Y435-D471 WeakPolarHBondContact CE2-OD2 3.18Å; Y435-D471 PolarHBondContact OH-OD2 3.21Å; Y435-D471 VanDerWaalsContact OH-OD2 3.05Å |
| 436 | N | 94.8 | Very high | 95.7 | Very high | 133 Ų | 133 | 65.3 Ų | 65.3 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -97.5 | -15.4 | -176.8 | -62.9 | 83.7 | 0 | 0 | 0 | 113.2 | D434 | D434-N436 VanDerWaalsContact C-N 3.26Å; D434-N436 PolarHBondContact O-N 3.21Å; D434-N436 PolarHBondContact OD1-N 3.25Å |
| 437 | S | 94.8 | Very high | 95.8 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 42% | 0.42 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -127.4 | 146 | -176.1 | -167.5 | 0 | 0 | 0 | 0 | 114 | D434 R466 | D434-S437 PolarHBondContact OD1-N 3.47Å; D434-S437 WeakPolarHBondContact OD2-CB 3.4Å; S437-R466 PolarHBondContact O-NH1 2.92Å; S437-R466 PolarHBondContact O-NH2 3.16Å; S437-R466 VanDerWaalsContact O-NH2 3.08Å |
| 438 | V | 95.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 11% | 0.109 | 35% | 0.353 | C | S | . | . | trans | -95.8 | 107.9 | 179.9 | 175.1 | 0 | 0 | 0 | 0 | 111 | E442 R443 F450 Y462 | V438-E442 WeakPolarHBondContact CA-OE2 3.22Å; V438-E442 HydrophobicContact CG1-CB 4.38Å; V438-E442 WeakPolarHBondContact CG1-OE2 3.47Å; V438-R443 HydrophobicContact CG1-CG 3.91Å; V438-R443 PolarHBondContact O-NE 2.59Å; V438-R443 PolarHBondContact O-NH2 3.24Å; V438-R443 VanDerWaalsContact O-NH2 3.1Å; V438-F450 HydrophobicContact CG1-CE1 3.57Å; V438-F450 HydrophobicContact CG1-CZ 3.53Å; V438-Y462 HydrophobicContact CG1-CD1 4.22Å; V438-Y462 HydrophobicContact CG1-CE1 4.09Å; V438-Y462 HydrophobicContact CG2-CD1 4.12Å; V438-Y462 HydrophobicContact CG2-CE1 4.31Å | ||
| 439 | H | 97.2 | Very high | 95.9 | Very high | 67 Ų | 67 | 61.2 Ų | 61.2 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | trans | -78 | 160 | -170.8 | -175.7 | -122.5 | 0 | 0 | 0 | 113.6 | W432 I441 E442 R443 | W432-H439 AromaticContact CD2-ND1 3.44Å; W432-H439 HydrophobicContact CE3-CB 3.64Å; W432-H439 AromaticContact CE3-CE1 3.98Å; W432-H439 AromaticContact CE3-CG 3.54Å; W432-H439 AromaticContact CE3-ND1 3.01Å; W432-H439 AromaticContact CG-CE1 3.95Å; W432-H439 AromaticContact CG-ND1 3.85Å; W432-H439 HydrophobicContact CZ3-CB 3.84Å; W432-H439 AromaticContact CZ3-ND1 3.77Å; H439-I441 PolarHBondContact ND1-N 3.1Å; H439-I441 PolarHBondContact O-N 2.93Å; H439-E442 HydrophobicContact CB-CG 4.42Å; H439-E442 PolarHBondContact N-OE2 3.4Å; H439-E442 WeakPolarHBondContact O-CB 3.44Å; H439-E442 PolarHBondContact O-N 3.14Å; H439-R443 WeakPolarHBondContact O-CG 3.48Å; H439-R443 PolarHBondContact O-N 2.89Å | ||
| 440 | A | 96.7 | Very high | 96 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 44% | 0.438 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.8 | -25.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | R444 | A440-R444 WeakPolarHBondContact O-CB 3.35Å; A440-R444 PolarHBondContact O-N 3.27Å |
| 441 | I | 96.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 174.9 | -70.3 | 172.2 | 0 | 0 | 0 | 110.6 | W432 H439 R443 R444 A445 F503 W507 | W432-I441 HydrophobicContact CD2-CD1 3.88Å; W432-I441 HydrophobicContact CG-CD1 3.93Å; W432-I441 HydrophobicContact CH2-CB 4.32Å; W432-I441 HydrophobicContact CH2-CG2 4.11Å; W432-I441 HydrophobicContact CZ2-CB 4.25Å; W432-I441 HydrophobicContact CZ2-CD1 4.35Å; W432-I441 HydrophobicContact CZ2-CG2 3.83Å; W432-I441 HydrophobicContact CZ3-CB 4.48Å; H439-I441 PolarHBondContact ND1-N 3.1Å; H439-I441 PolarHBondContact O-N 2.93Å; I441-R443 PolarHBondContact O-N 3.02Å; I441-R444 PolarHBondContact O-N 3.37Å; I441-R444 VanDerWaalsContact O-N 3.16Å; I441-A445 WeakPolarHBondContact O-CB 3.28Å; I441-A445 PolarHBondContact O-N 3.07Å; I441-F503 HydrophobicContact CG2-CE2 4.3Å; I441-F503 HydrophobicContact CG2-CZ 4.31Å; I441-W507 HydrophobicContact CD1-CH2 4.22Å; I441-W507 HydrophobicContact CD1-CZ2 4.47Å; I441-W507 HydrophobicContact CG2-CH2 4.44Å; I441-W507 HydrophobicContact CG2-CZ2 3.69Å |
| 442 | E | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 178.2 | -54.7 | 176.7 | 146.5 | 0 | 0 | 111 | W432 V438 H439 R444 A445 L446 Y462 R466 F503 | W432-E442 HydrophobicContact CH2-CG 3.88Å; W432-E442 HydrophobicContact CZ3-CG 3.67Å; V438-E442 WeakPolarHBondContact CA-OE2 3.22Å; V438-E442 HydrophobicContact CG1-CB 4.38Å; V438-E442 WeakPolarHBondContact CG1-OE2 3.47Å; H439-E442 HydrophobicContact CB-CG 4.42Å; H439-E442 PolarHBondContact N-OE2 3.4Å; H439-E442 WeakPolarHBondContact O-CB 3.44Å; H439-E442 PolarHBondContact O-N 3.14Å; E442-R444 PolarHBondContact O-N 3.49Å; E442-A445 PolarHBondContact O-N 2.94Å; E442-L446 PolarHBondContact O-N 3.35Å; E442-Y462 HydrophobicContact CB-CE1 4.08Å; E442-Y462 HydrophobicContact CG-CE1 4.49Å; E442-Y462 WeakPolarHBondContact CG-OH 3.18Å; E442-Y462 PolarHBondContact OE1-OH 3.38Å; E442-R466 VanDerWaalsContact CD-NH1 3.26Å; E442-R466 IonicContact OE1-CZ 2.97Å; E442-R466 IonicContact OE1-NH1 2.9Å; E442-R466 PolarHBondContact OE1-NH1 3.03Å; E442-R466 IonicContact OE2-NH1 2.68Å; E442-R466 PolarHBondContact OE2-NH1 3.38Å; E442-F503 HydrophobicContact CB-CE1 4.42Å; E442-F503 HydrophobicContact CB-CZ 4.23Å; E442-F503 HydrophobicContact CG-CE1 3.87Å; E442-F503 HydrophobicContact CG-CZ 3.79Å |
| 443 | R | 96.1 | Very high | 95.2 | Very high | 119 Ų | 119 | 67.2 Ų | 67.2 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61 | -29.9 | 177.5 | -63.3 | 174 | -169.6 | -99.4 | 2.6 | 113.3 | V438 H439 I441 F450 | V438-R443 HydrophobicContact CG1-CG 3.91Å; V438-R443 PolarHBondContact O-NE 2.59Å; V438-R443 PolarHBondContact O-NH2 3.24Å; V438-R443 VanDerWaalsContact O-NH2 3.1Å; H439-R443 WeakPolarHBondContact O-CG 3.48Å; H439-R443 PolarHBondContact O-N 2.89Å; I441-R443 PolarHBondContact O-N 3.02Å; R443-F450 HydrophobicContact CB-CD2 4.11Å; R443-F450 HydrophobicContact CB-CE2 4.38Å; R443-F450 HydrophobicContact CB-CG 4.36Å; R443-F450 HydrophobicContact CG-CD1 4.09Å; R443-F450 HydrophobicContact CG-CD2 4.05Å; R443-F450 HydrophobicContact CG-CE1 4.17Å; R443-F450 HydrophobicContact CG-CE2 4.1Å; R443-F450 HydrophobicContact CG-CG 4.03Å; R443-F450 HydrophobicContact CG-CZ 4.16Å |
| 444 | R | 96.6 | Very high | 94.8 | Very high | 192 Ų | 192 | 69 Ų | 69 | 73% | 0.725 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -82.6 | -37.1 | 177.2 | -168.9 | -173.6 | -60.3 | 134.2 | 2 | 112.5 | A440 I441 E442 | A440-R444 WeakPolarHBondContact O-CB 3.35Å; A440-R444 PolarHBondContact O-N 3.27Å; I441-R444 PolarHBondContact O-N 3.37Å; I441-R444 VanDerWaalsContact O-N 3.16Å; E442-R444 PolarHBondContact O-N 3.49Å |
| 445 | A | 95 | Very high | 94.6 | Very high | 52 Ų | 52 | 75 Ų | 75 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -79.7 | -36.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I441 E442 P447 F503 | I441-A445 WeakPolarHBondContact O-CB 3.28Å; I441-A445 PolarHBondContact O-N 3.07Å; E442-A445 PolarHBondContact O-N 2.94Å; A445-P447 VanDerWaalsContact O-CD 3.31Å; A445-P447 WeakPolarHBondContact O-CD 3.45Å; A445-F503 HydrophobicContact CB-CD2 3.54Å; A445-F503 HydrophobicContact CB-CE2 3.35Å; A445-F503 HydrophobicContact CB-CZ 4.36Å |
| 446 | L | 96.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 75.3 Ų | 75.3 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | trans | -122.8 | 54.7 | -175.4 | -60.9 | 172.4 | 0 | 0 | 0 | 111.8 | E442 E448 F449 F450 Y462 R499 V500 F503 | E442-L446 PolarHBondContact O-N 3.35Å; L446-E448 PolarHBondContact O-N 2.85Å; L446-F449 HydrophobicContact CB-CD2 4.36Å; L446-F449 PolarHBondContact O-N 2.79Å; L446-F450 VanDerWaalsContact O-CD2 3.24Å; L446-F450 WeakPolarHBondContact O-CD2 3.39Å; L446-F450 WeakPolarHBondContact O-CE2 3.21Å; L446-Y462 HydrophobicContact CD1-CD2 4.26Å; L446-Y462 HydrophobicContact CD1-CE2 3.45Å; L446-Y462 VanDerWaalsContact CD1-CE2 3.45Å; L446-R499 HydrophobicContact CD2-CB 3.88Å; L446-V500 HydrophobicContact CD1-CG2 4.1Å; L446-F503 HydrophobicContact CD1-CB 3.94Å; L446-F503 HydrophobicContact CD1-CD1 3.84Å; L446-F503 HydrophobicContact CD1-CD2 4.47Å; L446-F503 HydrophobicContact CD1-CG 3.82Å; L446-F503 HydrophobicContact CD2-CB 4.44Å; L446-F503 HydrophobicContact CG-CB 4.4Å; L446-F503 HydrophobicContact CG-CG 4.29Å | ||
| 447 | P | 96.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 70.3 Ų | 70.3 | 46% | 0.461 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -65.2 | -6.6 | -172.3 | 30.1 | -38.1 | 0 | 0 | 0 | 114.2 | A445 F449 F450 N451 | A445-P447 VanDerWaalsContact O-CD 3.31Å; A445-P447 WeakPolarHBondContact O-CD 3.45Å; P447-F449 VanDerWaalsContact C-N 3.27Å; P447-F449 PolarHBondContact O-N 3.4Å; P447-F450 PolarHBondContact O-N 3.38Å; P447-N451 WeakPolarHBondContact O-CB 3.44Å; P447-N451 PolarHBondContact O-N 3.39Å; P447-N451 PolarHBondContact O-ND2 2.73Å |
| 448 | E | 94.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -67.1 | -24.2 | 178.3 | 69.9 | -177.7 | 126.9 | 0 | 0 | 114 | L446 N451 K457 R499 | L446-E448 PolarHBondContact O-N 2.85Å; E448-N451 WeakPolarHBondContact CA-ND2 3.43Å; E448-N451 PolarHBondContact O-ND2 3.36Å; E448-K457 HydrophobicContact CB-CD 4.44Å; E448-K457 HydrophobicContact CG-CD 4.24Å; E448-K457 IonicContact OE2-NZ 2.62Å; E448-K457 PolarHBondContact OE2-NZ 2.86Å; E448-R499 IonicContact OE1-CZ 3.45Å; E448-R499 IonicContact OE1-NE 3.51Å; E448-R499 PolarHBondContact OE1-NE 3.28Å; E448-R499 IonicContact OE1-NH2 2.66Å; E448-R499 PolarHBondContact OE1-NH2 2.76Å; E448-R499 IonicContact OE2-CZ 3.06Å; E448-R499 IonicContact OE2-NH2 2.74Å; E448-R499 PolarHBondContact OE2-NH2 2.72Å |
| 449 | F | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -91.4 | -9.5 | 178.1 | -64.8 | -88.4 | 0 | 0 | 0 | 114 | L446 P447 K457 T458 P459 I461 Y462 Y465 A496 V500 | L446-F449 HydrophobicContact CB-CD2 4.36Å; L446-F449 PolarHBondContact O-N 2.79Å; P447-F449 VanDerWaalsContact C-N 3.27Å; P447-F449 PolarHBondContact O-N 3.4Å; F449-K457 CarbonylContact C-O 3.55Å; F449-K457 WeakPolarHBondContact CA-O 3.38Å; F449-K457 HydrophobicContact CD1-CB 3.8Å; F449-K457 HydrophobicContact CD1-CG 4.31Å; F449-K457 HydrophobicContact CE1-CB 4.2Å; F449-K457 HydrophobicContact CE1-CG 4.19Å; F449-K457 HydrophobicContact CG-CB 4.37Å; F449-T458 CarbonylContact O-C 3.59Å; F449-T458 VanDerWaalsContact O-C 3.3Å; F449-P459 WeakPolarHBondContact O-CD 3.47Å; F449-I461 HydrophobicContact CE1-CG2 4.29Å; F449-Y462 HydrophobicContact CB-CG 4.49Å; F449-Y462 HydrophobicContact CD2-CD2 4.06Å; F449-Y462 HydrophobicContact CD2-CG 4.48Å; F449-Y462 HydrophobicContact CE2-CD2 4.24Å; F449-Y462 HydrophobicContact CG-CD2 4.37Å; F449-Y462 HydrophobicContact CG-CG 4.36Å; F449-Y465 HydrophobicContact CE1-CD2 4.03Å; F449-Y465 AromaticContact CE1-CE2 3.88Å; F449-Y465 HydrophobicContact CE1-CE2 3.88Å; F449-Y465 AromaticContact CZ-CD2 3.94Å; F449-Y465 HydrophobicContact CZ-CD2 3.94Å; F449-Y465 AromaticContact CZ-CE2 3.98Å; F449-Y465 HydrophobicContact CZ-CE2 3.98Å; F449-A496 HydrophobicContact CE2-CB 4.35Å; F449-A496 HydrophobicContact CZ-CB 3.91Å; F449-V500 HydrophobicContact CE2-CG2 3.79Å; F449-V500 HydrophobicContact CZ-CG2 3.96Å |
| 450 | F | 95.9 | Very high | 94.2 | Very high | 46 Ų | 46 | 73 Ų | 73 | 20% | 0.202 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -5.8 | -169.6 | -53.3 | -67.7 | 0 | 0 | 0 | 114.3 | V438 R443 L446 P447 P459 Y462 | V438-F450 HydrophobicContact CG1-CE1 3.57Å; V438-F450 HydrophobicContact CG1-CZ 3.53Å; R443-F450 HydrophobicContact CB-CD2 4.11Å; R443-F450 HydrophobicContact CB-CE2 4.38Å; R443-F450 HydrophobicContact CB-CG 4.36Å; R443-F450 HydrophobicContact CG-CD1 4.09Å; R443-F450 HydrophobicContact CG-CD2 4.05Å; R443-F450 HydrophobicContact CG-CE1 4.17Å; R443-F450 HydrophobicContact CG-CE2 4.1Å; R443-F450 HydrophobicContact CG-CG 4.03Å; R443-F450 HydrophobicContact CG-CZ 4.16Å; L446-F450 VanDerWaalsContact O-CD2 3.24Å; L446-F450 WeakPolarHBondContact O-CD2 3.39Å; L446-F450 WeakPolarHBondContact O-CE2 3.21Å; P447-F450 PolarHBondContact O-N 3.38Å; F450-P459 HydrophobicContact CD1-CB 4.12Å; F450-P459 HydrophobicContact CD1-CG 3.96Å; F450-P459 HydrophobicContact CE1-CB 3.9Å; F450-P459 HydrophobicContact CE1-CG 4.25Å; F450-Y462 HydrophobicContact CE1-CD1 4.27Å; F450-Y462 HydrophobicContact CE2-CD1 4.45Å; F450-Y462 AromaticContact CZ-CD1 3.52Å; F450-Y462 HydrophobicContact CZ-CD1 3.52Å; F450-Y462 AromaticContact CZ-CE1 3.97Å; F450-Y462 HydrophobicContact CZ-CE1 3.97Å; F450-Y462 AromaticContact CZ-CG 3.91Å; F450-Y462 HydrophobicContact CZ-CG 3.91Å |
| 451 | N | 91.5 | Very high | 94.2 | Very high | 75 Ų | 75 | 73.5 Ų | 73.5 | 40% | 0.401 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -86.3 | -4.5 | -176 | 66.4 | 47.8 | 0 | 0 | 0 | 114.7 | P447 E448 K453 | P447-N451 WeakPolarHBondContact O-CB 3.44Å; P447-N451 PolarHBondContact O-N 3.39Å; P447-N451 PolarHBondContact O-ND2 2.73Å; E448-N451 WeakPolarHBondContact CA-ND2 3.43Å; E448-N451 PolarHBondContact O-ND2 3.36Å; N451-K453 HydrophobicContact CB-CG 4.47Å; N451-K453 PolarHBondContact O-N 3.1Å; N451-K453 VanDerWaalsContact O-N 3.08Å; N451-K453 WeakPolarHBondContact OD1-CB 3.49Å; N451-K453 WeakPolarHBondContact OD1-CG 3.44Å; N451-K453 PolarHBondContact OD1-N 2.89Å |
| 452 | G | 89.4 | Confident | 94.2 | Very high | 73 Ų | 73 | 71.8 Ų | 71.8 | 75% | 0.753 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 67.9 | -0.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 453 | K | 90.3 | Very high | 94.1 | Very high | 188 Ų | 188 | 74.3 Ų | 74.3 | 82% | 0.817 | 39% | 0.385 | S | S | * | . | trans | -79.1 | -26.7 | -175.3 | -58.9 | -178.3 | 179.3 | -177.6 | 0 | 113.5 | N451 | N451-K453 HydrophobicContact CB-CG 4.47Å; N451-K453 PolarHBondContact O-N 3.1Å; N451-K453 VanDerWaalsContact O-N 3.08Å; N451-K453 WeakPolarHBondContact OD1-CB 3.49Å; N451-K453 WeakPolarHBondContact OD1-CG 3.44Å; N451-K453 PolarHBondContact OD1-N 2.89Å | ||
| 454 | N | 89.3 | Confident | 94.1 | Very high | 68 Ų | 68 | 71.3 Ų | 71.3 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | trans | -116.3 | 114.8 | -177.8 | -175.6 | -18.1 | 0 | 0 | 0 | 110.5 | S456 K457 | N454-S456 PolarHBondContact O-N 3.06Å; N454-S456 VanDerWaalsContact O-N 3.14Å; N454-S456 PolarHBondContact OD1-N 3.43Å; N454-K457 HydrophobicContact CB-CB 4.18Å; N454-K457 CarbonylContact O-C 3.56Å; N454-K457 PolarHBondContact O-N 3.15Å; N454-K457 VanDerWaalsContact O-N 3.07Å | ||
| 455 | K | 91.1 | Very high | 94.1 | Very high | 200 Ų | 200 | 63 Ų | 63 | 87% | 0.87 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.1 | -178.6 | -61.5 | -175.4 | 179.2 | -176.4 | 0 | 114.3 | ||
| 456 | S | 89.1 | Confident | 94.2 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 62% | 0.615 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 5.5 | 178.3 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | N454 | N454-S456 PolarHBondContact O-N 3.06Å; N454-S456 VanDerWaalsContact O-N 3.14Å; N454-S456 PolarHBondContact OD1-N 3.43Å |
| 457 | K | 94.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 61 Ų | 61 | 12% | 0.117 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -130.4 | 79.9 | 173.5 | -64.9 | -176.2 | 178.4 | 177.9 | 0 | 108.4 | E448 F449 N454 D493 | E448-K457 HydrophobicContact CB-CD 4.44Å; E448-K457 HydrophobicContact CG-CD 4.24Å; E448-K457 IonicContact OE2-NZ 2.62Å; E448-K457 PolarHBondContact OE2-NZ 2.86Å; F449-K457 CarbonylContact C-O 3.55Å; F449-K457 WeakPolarHBondContact CA-O 3.38Å; F449-K457 HydrophobicContact CD1-CB 3.8Å; F449-K457 HydrophobicContact CD1-CG 4.31Å; F449-K457 HydrophobicContact CE1-CB 4.2Å; F449-K457 HydrophobicContact CE1-CG 4.19Å; F449-K457 HydrophobicContact CG-CB 4.37Å; N454-K457 HydrophobicContact CB-CB 4.18Å; N454-K457 CarbonylContact O-C 3.56Å; N454-K457 PolarHBondContact O-N 3.15Å; N454-K457 VanDerWaalsContact O-N 3.07Å; K457-D493 WeakPolarHBondContact CE-OD2 3.38Å; K457-D493 IonicContact NZ-OD2 2.7Å; K457-D493 PolarHBondContact NZ-OD2 3.24Å |
| 458 | T | 95.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 60.8 Ų | 60.8 | 23% | 0.233 | 33% | 0.329 | C | S | . | . | trans | -106.9 | 166.8 | 179.1 | 74.6 | 0 | 0 | 0 | 0 | 110.4 | F449 E460 I461 Y462 | F449-T458 CarbonylContact O-C 3.59Å; F449-T458 VanDerWaalsContact O-C 3.3Å; T458-E460 WeakPolarHBondContact CB-OE2 3.39Å; T458-E460 PolarHBondContact O-N 3.11Å; T458-E460 PolarHBondContact OG1-OE2 2.85Å; T458-I461 PolarHBondContact O-N 3.28Å; T458-Y462 PolarHBondContact O-N 3.34Å; T458-Y462 VanDerWaalsContact O-N 3.1Å | ||
| 459 | P | 95.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.1 | -31.9 | 178.1 | -24.3 | 34.9 | 0 | 0 | 0 | 113.4 | F449 F450 Y462 L463 | F449-P459 WeakPolarHBondContact O-CD 3.47Å; F450-P459 HydrophobicContact CD1-CB 4.12Å; F450-P459 HydrophobicContact CD1-CG 3.96Å; F450-P459 HydrophobicContact CE1-CB 3.9Å; F450-P459 HydrophobicContact CE1-CG 4.25Å; P459-Y462 WeakPolarHBondContact O-CB 3.35Å; P459-Y462 PolarHBondContact O-N 2.83Å; P459-L463 WeakPolarHBondContact O-CB 3.43Å; P459-L463 PolarHBondContact O-N 2.86Å |
| 460 | E | 94.6 | Very high | 94.4 | Very high | 122 Ų | 122 | 59.2 Ų | 59.2 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -74.6 | -38.1 | -177.5 | -51 | 69.9 | -142.3 | 0 | 0 | 110.9 | T458 Y462 L463 A464 | T458-E460 WeakPolarHBondContact CB-OE2 3.39Å; T458-E460 PolarHBondContact O-N 3.11Å; T458-E460 PolarHBondContact OG1-OE2 2.85Å; E460-Y462 VanDerWaalsContact C-N 3.35Å; E460-L463 PolarHBondContact O-N 2.88Å; E460-A464 WeakPolarHBondContact O-CB 3.42Å; E460-A464 PolarHBondContact O-N 3.43Å |
| 461 | I | 95.4 | Very high | 94.4 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 172.1 | -61.5 | -61.8 | 0 | 0 | 0 | 110.8 | F449 T458 Y465 | F449-I461 HydrophobicContact CE1-CG2 4.29Å; T458-I461 PolarHBondContact O-N 3.28Å; I461-Y465 HydrophobicContact CG2-CD1 4.25Å; I461-Y465 HydrophobicContact CG2-CD2 4.35Å; I461-Y465 HydrophobicContact CG2-CE1 3.69Å; I461-Y465 HydrophobicContact CG2-CE2 3.78Å; I461-Y465 WeakPolarHBondContact CG2-OH 3.47Å; I461-Y465 WeakPolarHBondContact O-CD1 3.31Å; I461-Y465 VanDerWaalsContact O-CG 3.27Å; I461-Y465 PolarHBondContact O-N 2.96Å |
| 462 | Y | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 172.1 | 171.8 | -106.2 | 0 | 0 | 0 | 112.2 | V438 E442 L446 F449 F450 T458 P459 E460 A464 Y465 R466 V500 | V438-Y462 HydrophobicContact CG1-CD1 4.22Å; V438-Y462 HydrophobicContact CG1-CE1 4.09Å; V438-Y462 HydrophobicContact CG2-CD1 4.12Å; V438-Y462 HydrophobicContact CG2-CE1 4.31Å; E442-Y462 HydrophobicContact CB-CE1 4.08Å; E442-Y462 HydrophobicContact CG-CE1 4.49Å; E442-Y462 WeakPolarHBondContact CG-OH 3.18Å; E442-Y462 PolarHBondContact OE1-OH 3.38Å; L446-Y462 HydrophobicContact CD1-CD2 4.26Å; L446-Y462 HydrophobicContact CD1-CE2 3.45Å; L446-Y462 VanDerWaalsContact CD1-CE2 3.45Å; F449-Y462 HydrophobicContact CB-CG 4.49Å; F449-Y462 HydrophobicContact CD2-CD2 4.06Å; F449-Y462 HydrophobicContact CD2-CG 4.48Å; F449-Y462 HydrophobicContact CE2-CD2 4.24Å; F449-Y462 HydrophobicContact CG-CD2 4.37Å; F449-Y462 HydrophobicContact CG-CG 4.36Å; F450-Y462 HydrophobicContact CE1-CD1 4.27Å; F450-Y462 HydrophobicContact CE2-CD1 4.45Å; F450-Y462 AromaticContact CZ-CD1 3.52Å; F450-Y462 HydrophobicContact CZ-CD1 3.52Å; F450-Y462 AromaticContact CZ-CE1 3.97Å; F450-Y462 HydrophobicContact CZ-CE1 3.97Å; F450-Y462 AromaticContact CZ-CG 3.91Å; F450-Y462 HydrophobicContact CZ-CG 3.91Å; T458-Y462 PolarHBondContact O-N 3.34Å; T458-Y462 VanDerWaalsContact O-N 3.1Å; P459-Y462 WeakPolarHBondContact O-CB 3.35Å; P459-Y462 PolarHBondContact O-N 2.83Å; E460-Y462 VanDerWaalsContact C-N 3.35Å; Y462-A464 PolarHBondContact O-N 3.23Å; Y462-Y465 PolarHBondContact O-N 3.44Å; Y462-R466 HydrophobicContact CE1-CG 4.49Å; Y462-R466 HydrophobicContact CE2-CB 4.19Å; Y462-R466 WeakPolarHBondContact O-CB 3.44Å; Y462-R466 PolarHBondContact O-N 3.39Å; Y462-V500 HydrophobicContact CD2-CG2 3.97Å; Y462-V500 HydrophobicContact CE2-CG1 4.15Å; Y462-V500 HydrophobicContact CE2-CG2 4.04Å |
| 463 | L | 96.2 | Very high | 94.8 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 177.3 | -178.6 | 59.2 | 0 | 0 | 0 | 111.1 | P459 E460 R466 N467 | P459-L463 WeakPolarHBondContact O-CB 3.43Å; P459-L463 PolarHBondContact O-N 2.86Å; E460-L463 PolarHBondContact O-N 2.88Å; L463-R466 VanDerWaalsContact CD1-NH2 3.29Å; L463-N467 VanDerWaalsContact O-CB 3.26Å; L463-N467 WeakPolarHBondContact O-CB 3.38Å; L463-N467 VanDerWaalsContact O-CG 3.25Å; L463-N467 PolarHBondContact O-N 3.14Å; L463-N467 PolarHBondContact O-OD1 3.39Å |
| 464 | A | 95.2 | Very high | 95 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E460 Y462 F468 | E460-A464 WeakPolarHBondContact O-CB 3.42Å; E460-A464 PolarHBondContact O-N 3.43Å; Y462-A464 PolarHBondContact O-N 3.23Å; A464-F468 VanDerWaalsContact O-CB 3.23Å; A464-F468 WeakPolarHBondContact O-CB 3.42Å; A464-F468 PolarHBondContact O-N 3.29Å; A464-F468 VanDerWaalsContact O-N 3.09Å |
| 465 | Y | 97.6 | Very high | 95.1 | Very high | 18 Ų | 18 | 50 Ų | 50 | 7% | 0.071 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 178 | -70.7 | -2.9 | 0 | 0 | 0 | 112.4 | F449 I461 Y462 M469 L490 A491 G492 I497 V500 | F449-Y465 HydrophobicContact CE1-CD2 4.03Å; F449-Y465 AromaticContact CE1-CE2 3.88Å; F449-Y465 HydrophobicContact CE1-CE2 3.88Å; F449-Y465 AromaticContact CZ-CD2 3.94Å; F449-Y465 HydrophobicContact CZ-CD2 3.94Å; F449-Y465 AromaticContact CZ-CE2 3.98Å; F449-Y465 HydrophobicContact CZ-CE2 3.98Å; I461-Y465 HydrophobicContact CG2-CD1 4.25Å; I461-Y465 HydrophobicContact CG2-CD2 4.35Å; I461-Y465 HydrophobicContact CG2-CE1 3.69Å; I461-Y465 HydrophobicContact CG2-CE2 3.78Å; I461-Y465 WeakPolarHBondContact CG2-OH 3.47Å; I461-Y465 WeakPolarHBondContact O-CD1 3.31Å; I461-Y465 VanDerWaalsContact O-CG 3.27Å; I461-Y465 PolarHBondContact O-N 2.96Å; Y462-Y465 PolarHBondContact O-N 3.44Å; Y465-M469 VanDerWaalsContact O-CG 3.3Å; Y465-M469 WeakPolarHBondContact O-CG 3.37Å; Y465-M469 PolarHBondContact O-N 3.11Å; Y465-L490 HydrophobicContact CD1-CB 4.31Å; Y465-L490 HydrophobicContact CD1-CD1 3.99Å; Y465-L490 HydrophobicContact CD1-CD2 3.95Å; Y465-L490 HydrophobicContact CD1-CG 4.32Å; Y465-L490 HydrophobicContact CE1-CB 4.35Å; Y465-L490 HydrophobicContact CG-CD1 4.14Å; Y465-A491 PolarHBondContact OH-O 3.18Å; Y465-G492 WeakPolarHBondContact OH-CA 3.34Å; Y465-I497 HydrophobicContact CD2-CG1 4.35Å; Y465-I497 HydrophobicContact CE2-CG1 4.07Å; Y465-V500 HydrophobicContact CD2-CG2 4.45Å |
| 466 | R | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | -174.6 | 88.8 | -177.8 | -175.3 | 161.6 | -1.3 | 110.7 | D434 Y435 S437 E442 Y462 L463 M469 I470 V500 L504 | D434-R466 PolarHBondContact O-NH1 3.42Å; D434-R466 PolarHBondContact O-NH2 3.22Å; Y435-R466 PolarHBondContact O-NH2 2.85Å; S437-R466 PolarHBondContact O-NH1 2.92Å; S437-R466 PolarHBondContact O-NH2 3.16Å; S437-R466 VanDerWaalsContact O-NH2 3.08Å; E442-R466 VanDerWaalsContact CD-NH1 3.26Å; E442-R466 IonicContact OE1-CZ 2.97Å; E442-R466 IonicContact OE1-NH1 2.9Å; E442-R466 PolarHBondContact OE1-NH1 3.03Å; E442-R466 IonicContact OE2-NH1 2.68Å; E442-R466 PolarHBondContact OE2-NH1 3.38Å; Y462-R466 HydrophobicContact CE1-CG 4.49Å; Y462-R466 HydrophobicContact CE2-CB 4.19Å; Y462-R466 WeakPolarHBondContact O-CB 3.44Å; Y462-R466 PolarHBondContact O-N 3.39Å; L463-R466 VanDerWaalsContact CD1-NH2 3.29Å; R466-M469 PolarHBondContact O-N 3.18Å; R466-I470 WeakPolarHBondContact O-CG1 3.47Å; R466-I470 PolarHBondContact O-N 3.46Å; R466-V500 HydrophobicContact CB-CG1 4.15Å; R466-L504 HydrophobicContact CB-CD1 4.15Å; R466-L504 HydrophobicContact CB-CD2 4.49Å |
| 467 | N | 96.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -49.7 | -178 | -71.6 | 23.4 | 0 | 0 | 0 | 109.2 | Y435 L463 M469 I470 D471 | Y435-N467 HydrophobicContact CD2-CB 4.37Å; Y435-N467 WeakPolarHBondContact CE1-ND2 3.33Å; Y435-N467 HydrophobicContact CE2-CB 3.55Å; Y435-N467 WeakPolarHBondContact CE2-ND2 3.09Å; Y435-N467 PolarHBondContact O-ND2 3.37Å; Y435-N467 PolarHBondContact OH-ND2 3.24Å; L463-N467 VanDerWaalsContact O-CB 3.26Å; L463-N467 WeakPolarHBondContact O-CB 3.38Å; L463-N467 VanDerWaalsContact O-CG 3.25Å; L463-N467 PolarHBondContact O-N 3.14Å; L463-N467 PolarHBondContact O-OD1 3.39Å; N467-M469 VanDerWaalsContact C-N 3.27Å; N467-M469 PolarHBondContact O-N 3.15Å; N467-M469 VanDerWaalsContact O-N 3.14Å; N467-I470 WeakPolarHBondContact O-CA 3.44Å; N467-I470 PolarHBondContact O-N 2.81Å; N467-D471 VanDerWaalsContact O-CG 3.25Å; N467-D471 PolarHBondContact O-N 3.49Å |
| 468 | F | 96.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 42.7 Ų | 42.7 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -50.8 | -43.3 | 174.2 | 179.2 | -89.5 | 0 | 0 | 0 | 113.3 | A464 T472 N489 L490 | A464-F468 VanDerWaalsContact O-CB 3.23Å; A464-F468 WeakPolarHBondContact O-CB 3.42Å; A464-F468 PolarHBondContact O-N 3.29Å; A464-F468 VanDerWaalsContact O-N 3.09Å; F468-T472 WeakPolarHBondContact CE1-OG1 3.44Å; F468-T472 WeakPolarHBondContact O-CB 3.3Å; F468-T472 PolarHBondContact O-N 3.49Å; F468-T472 PolarHBondContact O-OG1 3.09Å; F468-N489 HydrophobicContact CE1-CB 3.86Å; F468-N489 HydrophobicContact CE2-CB 4.2Å; F468-N489 HydrophobicContact CZ-CB 3.4Å; F468-L490 HydrophobicContact CB-CD2 3.96Å; F468-L490 HydrophobicContact CD1-CD1 3.93Å; F468-L490 HydrophobicContact CD1-CD2 3.68Å; F468-L490 HydrophobicContact CD1-CG 3.72Å; F468-L490 HydrophobicContact CD2-CD2 4.41Å; F468-L490 HydrophobicContact CE1-CD2 4.35Å; F468-L490 HydrophobicContact CE1-CG 4.16Å; F468-L490 HydrophobicContact CG-CD2 3.73Å; F468-L490 HydrophobicContact CG-CG 4.31Å |
| 469 | M | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.7 | -68.8 | -179.8 | -158.8 | 0 | 0 | 112.6 | Y465 R466 N467 Y473 L481 C486 L490 I497 V500 H501 L504 | Y465-M469 VanDerWaalsContact O-CG 3.3Å; Y465-M469 WeakPolarHBondContact O-CG 3.37Å; Y465-M469 PolarHBondContact O-N 3.11Å; R466-M469 PolarHBondContact O-N 3.18Å; N467-M469 VanDerWaalsContact C-N 3.27Å; N467-M469 PolarHBondContact O-N 3.15Å; N467-M469 VanDerWaalsContact O-N 3.14Å; M469-Y473 WeakPolarHBondContact O-CB 3.48Å; M469-Y473 PolarHBondContact O-N 2.95Å; M469-Y473 VanDerWaalsContact O-N 3.1Å; M469-L481 HydrophobicContact CB-CD2 4.34Å; M469-L481 WeakPolarHBondContact O-CD2 3.41Å; M469-C486 HydrophobicContact CE-CB 4.15Å; M469-C486 HydrophobicContact CG-CB 4.28Å; M469-L490 HydrophobicContact CE-CD1 3.55Å; M469-L490 HydrophobicContact CG-CD1 4.33Å; M469-I497 HydrophobicContact CE-CG2 3.84Å; M469-V500 HydrophobicContact CE-CB 4.01Å; M469-V500 HydrophobicContact CE-CG1 3.89Å; M469-V500 HydrophobicContact SD-CB 4.35Å; M469-V500 HydrophobicContact SD-CG1 3.85Å; M469-H501 HydrophobicContact CE-CB 4.36Å; M469-H501 HydrophobicContact SD-CB 3.79Å; M469-L504 HydrophobicContact CB-CD1 3.87Å; M469-L504 HydrophobicContact SD-CD1 4.09Å |
| 470 | I | 96.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 178.2 | -72.2 | 169.7 | 0 | 0 | 0 | 110.4 | F433 R466 N467 Y473 R474 L504 I510 | F433-I470 HydrophobicContact CE1-CD1 3.83Å; F433-I470 HydrophobicContact CE2-CD1 3.77Å; F433-I470 HydrophobicContact CZ-CD1 3.24Å; R466-I470 WeakPolarHBondContact O-CG1 3.47Å; R466-I470 PolarHBondContact O-N 3.46Å; N467-I470 WeakPolarHBondContact O-CA 3.44Å; N467-I470 PolarHBondContact O-N 2.81Å; I470-Y473 PolarHBondContact O-N 2.92Å; I470-R474 HydrophobicContact CG2-CG 4.35Å; I470-R474 VanDerWaalsContact CG2-NE 3.34Å; I470-R474 VanDerWaalsContact O-CG 3.23Å; I470-R474 WeakPolarHBondContact O-CG 3.41Å; I470-R474 PolarHBondContact O-N 2.98Å; I470-L504 HydrophobicContact CD1-CD2 4.03Å; I470-L504 HydrophobicContact CG1-CD1 4.18Å; I470-L504 HydrophobicContact CG1-CD2 4.41Å; I470-I510 HydrophobicContact CG1-CG2 4Å |
| 471 | D | 95.1 | Very high | 95.2 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.4 | -41.1 | -175.9 | -54.7 | -39 | 0 | 0 | 0 | 111.1 | Y435 N467 Y473 R474 L475 | Y435-D471 WeakPolarHBondContact CE2-OD1 3.42Å; Y435-D471 WeakPolarHBondContact CE2-OD2 3.18Å; Y435-D471 PolarHBondContact OH-OD2 3.21Å; Y435-D471 VanDerWaalsContact OH-OD2 3.05Å; N467-D471 VanDerWaalsContact O-CG 3.25Å; N467-D471 PolarHBondContact O-N 3.49Å; D471-Y473 VanDerWaalsContact C-N 3.26Å; D471-Y473 PolarHBondContact O-N 2.89Å; D471-R474 PolarHBondContact O-N 3.45Å; D471-R474 VanDerWaalsContact O-N 3.08Å; D471-L475 PolarHBondContact O-N 3.33Å |
| 472 | T | 94.6 | Very high | 95.2 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 28% | 0.276 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.2 | -38.5 | 172.3 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | F468 L481 | F468-T472 WeakPolarHBondContact CE1-OG1 3.44Å; F468-T472 WeakPolarHBondContact O-CB 3.3Å; F468-T472 PolarHBondContact O-N 3.49Å; F468-T472 PolarHBondContact O-OG1 3.09Å; T472-L481 HydrophobicContact CG2-CD1 3.76Å; T472-L481 HydrophobicContact CG2-CD2 4.38Å |
| 473 | Y | 95.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.1 | -38.6 | 174.8 | 174.8 | -113.1 | 0 | 0 | 0 | 112.3 | M469 I470 D471 L475 N476 P477 L481 I510 N511 Y512 Q513 V514 | M469-Y473 WeakPolarHBondContact O-CB 3.48Å; M469-Y473 PolarHBondContact O-N 2.95Å; M469-Y473 VanDerWaalsContact O-N 3.1Å; I470-Y473 PolarHBondContact O-N 2.92Å; D471-Y473 VanDerWaalsContact C-N 3.26Å; D471-Y473 PolarHBondContact O-N 2.89Å; Y473-L475 VanDerWaalsContact C-N 3.27Å; Y473-L475 PolarHBondContact O-N 3.36Å; Y473-N476 CarbonylContact O-C 3.16Å; Y473-N476 PolarHBondContact O-N 3.49Å; Y473-P477 HydrophobicContact CE1-CB 3.94Å; Y473-P477 VanDerWaalsContact CE2-CA 3.42Å; Y473-P477 HydrophobicContact CE2-CB 4.01Å; Y473-P477 WeakPolarHBondContact CE2-O 3.47Å; Y473-P477 VanDerWaalsContact CZ-O 3.25Å; Y473-P477 VanDerWaalsContact O-CA 3.29Å; Y473-P477 WeakPolarHBondContact O-CA 3.21Å; Y473-P477 VanDerWaalsContact O-N 3.16Å; Y473-P477 PolarHBondContact OH-O 3.35Å; Y473-L481 HydrophobicContact CD2-CB 4.23Å; Y473-I510 HydrophobicContact CD1-CB 3.99Å; Y473-I510 HydrophobicContact CD1-CG2 4.13Å; Y473-I510 HydrophobicContact CG-CB 3.95Å; Y473-I510 HydrophobicContact CG-CG2 4.14Å; Y473-N511 WeakPolarHBondContact CD2-OD1 3.38Å; Y473-N511 VanDerWaalsContact CE2-N 3.26Å; Y473-Y512 PolarHBondContact OH-N 3.27Å; Y473-Q513 PolarHBondContact OH-N 3.2Å; Y473-V514 HydrophobicContact CE2-CG2 3.82Å |
| 474 | R | 94 | Very high | 95.1 | Very high | 62 Ų | 62 | 41.7 Ų | 41.7 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -23.1 | -178.5 | -73.1 | 173.8 | 171.8 | -177 | -5 | 114.1 | I424 I470 D471 N476 | I424-R474 HydrophobicContact CD1-CB 4.01Å; I424-R474 HydrophobicContact CD1-CG 3.8Å; I424-R474 HydrophobicContact CG1-CB 4.36Å; I424-R474 HydrophobicContact CG1-CG 3.91Å; I470-R474 HydrophobicContact CG2-CG 4.35Å; I470-R474 VanDerWaalsContact CG2-NE 3.34Å; I470-R474 VanDerWaalsContact O-CG 3.23Å; I470-R474 WeakPolarHBondContact O-CG 3.41Å; I470-R474 PolarHBondContact O-N 2.98Å; D471-R474 PolarHBondContact O-N 3.45Å; D471-R474 VanDerWaalsContact O-N 3.08Å; R474-N476 VanDerWaalsContact C-N 3.34Å |
| 475 | L | 91.4 | Very high | 95.1 | Very high | 97 Ų | 97 | 40.2 Ų | 40.2 | 51% | 0.508 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 172.5 | -67.1 | 174.3 | 0 | 0 | 0 | 112.3 | T418 H422 D471 Y473 | T418-L475 HydrophobicContact CG2-CD2 4.27Å; H422-L475 PolarHBondContact CE1-O 2.94Å; H422-L475 VanDerWaalsContact CE1-O 3.3Å; H422-L475 PolarHBondContact ND1-O 3.49Å; D471-L475 PolarHBondContact O-N 3.33Å; Y473-L475 VanDerWaalsContact C-N 3.27Å; Y473-L475 PolarHBondContact O-N 3.36Å |
| 476 | N | 91.6 | Very high | 95 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -144.9 | 82.4 | 177.7 | -177.6 | 13.8 | 0 | 0 | 0 | 110.5 | Y473 R474 Q478 E479 | Y473-N476 CarbonylContact O-C 3.16Å; Y473-N476 PolarHBondContact O-N 3.49Å; R474-N476 VanDerWaalsContact C-N 3.34Å; N476-Q478 PolarHBondContact O-N 3.49Å; N476-E479 HydrophobicContact CB-CB 4.49Å; N476-E479 VanDerWaalsContact ND2-CB 3.27Å; N476-E479 WeakPolarHBondContact ND2-CB 3.32Å; N476-E479 PolarHBondContact ND2-OE2 2.87Å; N476-E479 PolarHBondContact O-N 3.08Å |
| 477 | P | 93.3 | Very high | 95 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -3.6 | -170.1 | 35 | -39.7 | 0 | 0 | 0 | 113.8 | H422 I424 Y473 Q513 V514 | H422-P477 HydrophobicContact CB-CG 3.63Å; I424-P477 HydrophobicContact CD1-CB 3.77Å; I424-P477 HydrophobicContact CD1-CG 3.77Å; Y473-P477 HydrophobicContact CE1-CB 3.94Å; Y473-P477 VanDerWaalsContact CE2-CA 3.42Å; Y473-P477 HydrophobicContact CE2-CB 4.01Å; Y473-P477 WeakPolarHBondContact CE2-O 3.47Å; Y473-P477 VanDerWaalsContact CZ-O 3.25Å; Y473-P477 VanDerWaalsContact O-CA 3.29Å; Y473-P477 WeakPolarHBondContact O-CA 3.21Å; Y473-P477 VanDerWaalsContact O-N 3.16Å; Y473-P477 PolarHBondContact OH-O 3.35Å; P477-Q513 VanDerWaalsContact CG-OE1 3.24Å; P477-V514 WeakPolarHBondContact O-CG2 3.5Å |
| 478 | Q | 91.6 | Very high | 94.9 | Very high | 98 Ų | 98 | 52.9 Ų | 52.9 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -22.7 | 172 | -59.3 | -63.4 | -90.3 | 0 | 0 | 112.1 | N476 Q513 | N476-Q478 PolarHBondContact O-N 3.49Å; Q478-Q513 PolarHBondContact NE2-O 2.85Å; Q478-Q513 VanDerWaalsContact NE2-O 3.12Å |
| 479 | E | 93.4 | Very high | 94.8 | Very high | 124 Ų | 124 | 55 Ų | 55 | 58% | 0.579 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -89.2 | 142.8 | 178.1 | -178.5 | 178.7 | 173.4 | 0 | 0 | 111.5 | N476 L481 V514 | N476-E479 HydrophobicContact CB-CB 4.49Å; N476-E479 VanDerWaalsContact ND2-CB 3.27Å; N476-E479 WeakPolarHBondContact ND2-CB 3.32Å; N476-E479 PolarHBondContact ND2-OE2 2.87Å; N476-E479 PolarHBondContact O-N 3.08Å; E479-L481 PolarHBondContact O-N 3.1Å; E479-L481 VanDerWaalsContact O-N 3.13Å; E479-V514 WeakPolarHBondContact O-CG2 3.33Å |
| 480 | Y | 96.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 56 Ų | 56 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | trans | -74 | 103.8 | 176.3 | -171.8 | -95.1 | 0 | 0 | 0 | 111.6 | T482 E505 N511 V514 R519 P520 | Y480-T482 HydrophobicContact CD1-CG2 3.65Å; Y480-T482 HydrophobicContact CE1-CG2 3.96Å; Y480-T482 PolarHBondContact O-N 3.03Å; Y480-E505 WeakPolarHBondContact CE2-OE1 3.21Å; Y480-E505 PolarHBondContact OH-OE1 2.86Å; Y480-E505 PolarHBondContact OH-OE2 3.44Å; Y480-N511 HydrophobicContact CD2-CB 3.93Å; Y480-N511 HydrophobicContact CE2-CB 3.86Å; Y480-N511 WeakPolarHBondContact CE2-ND2 3.49Å; Y480-V514 HydrophobicContact CD2-CG1 4.18Å; Y480-R519 HydrophobicContact CD2-CB 4.35Å; Y480-R519 HydrophobicContact CD2-CG 3.85Å; Y480-R519 HydrophobicContact CE2-CG 3.69Å; Y480-P520 HydrophobicContact CD1-CG 3.66Å; Y480-P520 HydrophobicContact CE1-CG 4Å; Y480-P520 HydrophobicContact CG-CG 4.23Å | ||
| 481 | L | 96.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | trans | -65.4 | 103.5 | 171.1 | 178.4 | 60.5 | 0 | 0 | 0 | 109.6 | M469 T472 Y473 E479 A485 H501 N511 | M469-L481 HydrophobicContact CB-CD2 4.34Å; M469-L481 WeakPolarHBondContact O-CD2 3.41Å; T472-L481 HydrophobicContact CG2-CD1 3.76Å; T472-L481 HydrophobicContact CG2-CD2 4.38Å; Y473-L481 HydrophobicContact CD2-CB 4.23Å; E479-L481 PolarHBondContact O-N 3.1Å; E479-L481 VanDerWaalsContact O-N 3.13Å; L481-A485 HydrophobicContact CD1-CB 4.01Å; L481-H501 PolarHBondContact O-NE2 2.89Å; L481-N511 WeakPolarHBondContact CB-OD1 3.3Å; L481-N511 PolarHBondContact N-OD1 3.28Å; L481-N511 PolarHBondContact O-ND2 2.85Å | ||
| 482 | T | 96.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | trans | -75.4 | 144.1 | 176.1 | 62.4 | 0 | 0 | 0 | 0 | 111.8 | Y480 T484 A485 C486 P520 | Y480-T482 HydrophobicContact CD1-CG2 3.65Å; Y480-T482 HydrophobicContact CE1-CG2 3.96Å; Y480-T482 PolarHBondContact O-N 3.03Å; T482-T484 PolarHBondContact O-N 3.49Å; T482-T484 WeakPolarHBondContact OG1-CB 3.28Å; T482-A485 WeakPolarHBondContact O-CB 3.39Å; T482-A485 PolarHBondContact O-N 2.95Å; T482-A485 PolarHBondContact OG1-N 3.29Å; T482-C486 PolarHBondContact O-N 3.09Å; T482-C486 PolarHBondContact O-SG 3.48Å; T482-P520 HydrophobicContact CG2-CG 4.48Å | ||
| 483 | S | 96.1 | Very high | 94.3 | Very high | 20 Ų | 20 | 61.4 Ų | 61.4 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.8 | -21 | 163.3 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | C486 R487 M498 | S483-C486 PolarHBondContact O-N 2.92Å; S483-R487 PolarHBondContact O-N 3.42Å; S483-M498 WeakPolarHBondContact OG-CG 3.31Å |
| 484 | T | 94.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.5 | -30.1 | 172.4 | -70.5 | 0 | 0 | 0 | 0 | 113.8 | T482 R487 R488 | T482-T484 PolarHBondContact O-N 3.49Å; T482-T484 WeakPolarHBondContact OG1-CB 3.28Å; T484-R487 PolarHBondContact OG1-NH1 3.24Å; T484-R488 PolarHBondContact O-NE 3.37Å |
| 485 | A | 94.8 | Very high | 94.3 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -76 | -47.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L481 T482 R487 R488 | L481-A485 HydrophobicContact CD1-CB 4.01Å; T482-A485 WeakPolarHBondContact O-CB 3.39Å; T482-A485 PolarHBondContact O-N 2.95Å; T482-A485 PolarHBondContact OG1-N 3.29Å; A485-R487 PolarHBondContact O-N 3.26Å; A485-R488 WeakPolarHBondContact O-CB 3.47Å; A485-R488 PolarHBondContact O-N 3.35Å |
| 486 | C | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.1 | -48.1 | -178.6 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | M469 T482 S483 R488 N489 L490 I497 | M469-C486 HydrophobicContact CE-CB 4.15Å; M469-C486 HydrophobicContact CG-CB 4.28Å; T482-C486 PolarHBondContact O-N 3.09Å; T482-C486 PolarHBondContact O-SG 3.48Å; S483-C486 PolarHBondContact O-N 2.92Å; C486-R488 PolarHBondContact O-N 3.2Å; C486-R488 VanDerWaalsContact O-N 3.17Å; C486-N489 PolarHBondContact O-N 2.97Å; C486-L490 WeakPolarHBondContact O-CB 3.47Å; C486-L490 PolarHBondContact O-N 2.66Å; C486-I497 HydrophobicContact CB-CG2 4.18Å |
| 487 | R | 95.8 | Very high | 94.7 | Very high | 122 Ų | 122 | 56.8 Ų | 56.8 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.4 | -11.8 | 180 | 77.1 | 164.5 | -170.2 | -93.6 | -7.2 | 115.4 | S483 T484 A485 V494 I497 | S483-R487 PolarHBondContact O-N 3.42Å; T484-R487 PolarHBondContact OG1-NH1 3.24Å; A485-R487 PolarHBondContact O-N 3.26Å; R487-V494 HydrophobicContact CB-CG2 4.41Å; R487-I497 HydrophobicContact CB-CG2 4.34Å |
| 488 | R | 95.8 | Very high | 94.9 | Very high | 178 Ų | 178 | 61.7 Ų | 61.7 | 67% | 0.672 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -84.8 | -27.2 | 177.7 | -79 | -174.8 | -86.7 | 177.5 | 1.8 | 111.9 | T484 A485 C486 | T484-R488 PolarHBondContact O-NE 3.37Å; A485-R488 WeakPolarHBondContact O-CB 3.47Å; A485-R488 PolarHBondContact O-N 3.35Å; C486-R488 PolarHBondContact O-N 3.2Å; C486-R488 VanDerWaalsContact O-N 3.17Å |
| 489 | N | 94.1 | Very high | 95.1 | Very high | 112 Ų | 112 | 62 Ų | 62 | 60% | 0.599 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -107.9 | -20.3 | -177.4 | -59 | -39.7 | 0 | 0 | 0 | 112.9 | F468 C486 | F468-N489 HydrophobicContact CE1-CB 3.86Å; F468-N489 HydrophobicContact CE2-CB 4.2Å; F468-N489 HydrophobicContact CZ-CB 3.4Å; C486-N489 PolarHBondContact O-N 2.97Å |
| 490 | L | 95.2 | Very high | 95.4 | Very high | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -100.3 | 114.5 | 176 | -63.5 | 179.8 | 0 | 0 | 0 | 111.6 | Y465 F468 M469 C486 G492 I497 | Y465-L490 HydrophobicContact CD1-CB 4.31Å; Y465-L490 HydrophobicContact CD1-CD1 3.99Å; Y465-L490 HydrophobicContact CD1-CD2 3.95Å; Y465-L490 HydrophobicContact CD1-CG 4.32Å; Y465-L490 HydrophobicContact CE1-CB 4.35Å; Y465-L490 HydrophobicContact CG-CD1 4.14Å; F468-L490 HydrophobicContact CB-CD2 3.96Å; F468-L490 HydrophobicContact CD1-CD1 3.93Å; F468-L490 HydrophobicContact CD1-CD2 3.68Å; F468-L490 HydrophobicContact CD1-CG 3.72Å; F468-L490 HydrophobicContact CD2-CD2 4.41Å; F468-L490 HydrophobicContact CE1-CD2 4.35Å; F468-L490 HydrophobicContact CE1-CG 4.16Å; F468-L490 HydrophobicContact CG-CD2 3.73Å; F468-L490 HydrophobicContact CG-CG 4.31Å; M469-L490 HydrophobicContact CE-CD1 3.55Å; M469-L490 HydrophobicContact CG-CD1 4.33Å; C486-L490 WeakPolarHBondContact O-CB 3.47Å; C486-L490 PolarHBondContact O-N 2.66Å; L490-G492 PolarHBondContact O-N 3.17Å; L490-I497 HydrophobicContact CB-CD1 4Å; L490-I497 HydrophobicContact CB-CG1 4.5Å; L490-I497 WeakPolarHBondContact O-CD1 3.33Å |
| 491 | A | 92.7 | Very high | 95.4 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 79% | 0.793 | 30% | 0.3 | S | S | * | . | trans | -79 | 113.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y465 | Y465-A491 PolarHBondContact OH-O 3.18Š| ||
| 492 | G | 90.6 | Very high | 95.5 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 172.7 | -167.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y465 L490 V494 | Y465-G492 WeakPolarHBondContact OH-CA 3.34Å; L490-G492 PolarHBondContact O-N 3.17Å; G492-V494 PolarHBondContact O-N 2.92Å |
| 493 | D | 93.6 | Very high | 95.6 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | trans | -66.1 | 112.4 | 171.2 | 168.8 | 19.8 | 0 | 0 | 0 | 110.4 | K457 C495 A496 I497 R499 | K457-D493 WeakPolarHBondContact CE-OD2 3.38Å; K457-D493 IonicContact NZ-OD2 2.7Å; K457-D493 PolarHBondContact NZ-OD2 3.24Å; D493-C495 PolarHBondContact O-N 3.08Å; D493-C495 WeakPolarHBondContact OD1-CB 3.47Å; D493-C495 PolarHBondContact OD1-N 3.42Å; D493-A496 HydrophobicContact CB-CB 4.05Å; D493-A496 WeakPolarHBondContact O-CB 3.41Å; D493-A496 PolarHBondContact O-N 3.48Å; D493-A496 PolarHBondContact OD2-N 3.28Å; D493-I497 WeakPolarHBondContact O-CG1 3.48Å; D493-I497 PolarHBondContact O-N 3.03Å; D493-R499 IonicContact OD2-NH2 3.85Å | ||
| 494 | V | 94.5 | Very high | 95.6 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 39% | 0.394 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54 | -35.1 | 178.4 | 67.5 | 0 | 0 | 0 | 0 | 112.7 | R487 G492 A496 I497 M498 | R487-V494 HydrophobicContact CB-CG2 4.41Å; G492-V494 PolarHBondContact O-N 2.92Å; V494-A496 VanDerWaalsContact C-N 3.35Å; V494-I497 PolarHBondContact O-N 2.7Å; V494-M498 HydrophobicContact CG2-SD 4.27Å; V494-M498 WeakPolarHBondContact O-CB 3.46Å; V494-M498 VanDerWaalsContact O-CG 3.26Å; V494-M498 WeakPolarHBondContact O-CG 3.46Å; V494-M498 PolarHBondContact O-N 2.71Å |
| 495 | C | 95.7 | Very high | 95.7 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.9 | -30.7 | 179.1 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | D493 R499 | D493-C495 PolarHBondContact O-N 3.08Å; D493-C495 WeakPolarHBondContact OD1-CB 3.47Å; D493-C495 PolarHBondContact OD1-N 3.42Å; C495-R499 WeakPolarHBondContact O-CG 3.4Å; C495-R499 PolarHBondContact O-N 3.43Å; C495-R499 PolarHBondContact O-NH1 3.37Å; C495-R499 VanDerWaalsContact O-NH1 3.16Å |
| 496 | A | 95.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.7 | -41.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F449 D493 V494 M498 R499 V500 | F449-A496 HydrophobicContact CE2-CB 4.35Å; F449-A496 HydrophobicContact CZ-CB 3.91Å; D493-A496 HydrophobicContact CB-CB 4.05Å; D493-A496 WeakPolarHBondContact O-CB 3.41Å; D493-A496 PolarHBondContact O-N 3.48Å; D493-A496 PolarHBondContact OD2-N 3.28Å; V494-A496 VanDerWaalsContact C-N 3.35Å; A496-M498 VanDerWaalsContact C-N 3.33Å; A496-M498 PolarHBondContact O-N 3.09Å; A496-R499 PolarHBondContact O-N 2.99Å; A496-R499 VanDerWaalsContact O-N 3.12Å; A496-V500 WeakPolarHBondContact O-CG2 3.25Å; A496-V500 PolarHBondContact O-N 3.01Å |
| 497 | I | 97 | Very high | 95.9 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 174.2 | -66.7 | 167.4 | 0 | 0 | 0 | 110.5 | Y465 M469 C486 R487 L490 D493 V494 R499 V500 H501 | Y465-I497 HydrophobicContact CD2-CG1 4.35Å; Y465-I497 HydrophobicContact CE2-CG1 4.07Å; M469-I497 HydrophobicContact CE-CG2 3.84Å; C486-I497 HydrophobicContact CB-CG2 4.18Å; R487-I497 HydrophobicContact CB-CG2 4.34Å; L490-I497 HydrophobicContact CB-CD1 4Å; L490-I497 HydrophobicContact CB-CG1 4.5Å; L490-I497 WeakPolarHBondContact O-CD1 3.33Å; D493-I497 WeakPolarHBondContact O-CG1 3.48Å; D493-I497 PolarHBondContact O-N 3.03Å; V494-I497 PolarHBondContact O-N 2.7Å; I497-R499 VanDerWaalsContact C-N 3.34Å; I497-R499 PolarHBondContact O-N 2.86Å; I497-V500 PolarHBondContact O-N 2.89Å; I497-H501 WeakPolarHBondContact O-CB 3.4Å; I497-H501 PolarHBondContact O-N 2.94Å |
| 498 | M | 96 | Very high | 95.8 | Very high | 104 Ų | 104 | 55.7 Ų | 55.7 | 51% | 0.512 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 175.1 | -72.8 | 174.4 | 72.9 | 0 | 0 | 113 | S483 V494 A496 A502 | S483-M498 WeakPolarHBondContact OG-CG 3.31Å; V494-M498 HydrophobicContact CG2-SD 4.27Å; V494-M498 WeakPolarHBondContact O-CB 3.46Å; V494-M498 VanDerWaalsContact O-CG 3.26Å; V494-M498 WeakPolarHBondContact O-CG 3.46Å; V494-M498 PolarHBondContact O-N 2.71Å; A496-M498 VanDerWaalsContact C-N 3.33Å; A496-M498 PolarHBondContact O-N 3.09Å; M498-A502 VanDerWaalsContact O-CB 3.29Å; M498-A502 WeakPolarHBondContact O-CB 3.47Å; M498-A502 PolarHBondContact O-N 3.36Å |
| 499 | R | 97.8 | Very high | 95.9 | Very high | 104 Ų | 104 | 47.8 Ų | 47.8 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 175.7 | -78.4 | -173.2 | -64 | -84 | -1.1 | 113.1 | L446 E448 D493 C495 A496 I497 F503 | L446-R499 HydrophobicContact CD2-CB 3.88Å; E448-R499 IonicContact OE1-CZ 3.45Å; E448-R499 IonicContact OE1-NE 3.51Å; E448-R499 PolarHBondContact OE1-NE 3.28Å; E448-R499 IonicContact OE1-NH2 2.66Å; E448-R499 PolarHBondContact OE1-NH2 2.76Å; E448-R499 IonicContact OE2-CZ 3.06Å; E448-R499 IonicContact OE2-NH2 2.74Å; E448-R499 PolarHBondContact OE2-NH2 2.72Å; D493-R499 IonicContact OD2-NH2 3.85Å; C495-R499 WeakPolarHBondContact O-CG 3.4Å; C495-R499 PolarHBondContact O-N 3.43Å; C495-R499 PolarHBondContact O-NH1 3.37Å; C495-R499 VanDerWaalsContact O-NH1 3.16Å; A496-R499 PolarHBondContact O-N 2.99Å; A496-R499 VanDerWaalsContact O-N 3.12Å; I497-R499 VanDerWaalsContact C-N 3.34Å; I497-R499 PolarHBondContact O-N 2.86Å; R499-F503 WeakPolarHBondContact O-CB 3.49Å; R499-F503 PolarHBondContact O-N 2.89Å |
| 500 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -47.7 | 173.3 | 176 | 0 | 0 | 0 | 0 | 110 | L446 F449 Y462 Y465 R466 M469 A496 I497 F503 L504 | L446-V500 HydrophobicContact CD1-CG2 4.1Å; F449-V500 HydrophobicContact CE2-CG2 3.79Å; F449-V500 HydrophobicContact CZ-CG2 3.96Å; Y462-V500 HydrophobicContact CD2-CG2 3.97Å; Y462-V500 HydrophobicContact CE2-CG1 4.15Å; Y462-V500 HydrophobicContact CE2-CG2 4.04Å; Y465-V500 HydrophobicContact CD2-CG2 4.45Å; R466-V500 HydrophobicContact CB-CG1 4.15Å; M469-V500 HydrophobicContact CE-CB 4.01Å; M469-V500 HydrophobicContact CE-CG1 3.89Å; M469-V500 HydrophobicContact SD-CB 4.35Å; M469-V500 HydrophobicContact SD-CG1 3.85Å; A496-V500 WeakPolarHBondContact O-CG2 3.25Å; A496-V500 PolarHBondContact O-N 3.01Å; I497-V500 PolarHBondContact O-N 2.89Å; V500-F503 PolarHBondContact O-N 2.98Å; V500-L504 HydrophobicContact CG1-CD1 4.12Å; V500-L504 WeakPolarHBondContact O-CG 3.17Å; V500-L504 PolarHBondContact O-N 2.96Å |
| 501 | H | 98.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.7 | -54.9 | 176.7 | 175.1 | -89 | 0 | 0 | 0 | 111.9 | M469 L481 I497 F503 L504 E505 I510 | M469-H501 HydrophobicContact CE-CB 4.36Å; M469-H501 HydrophobicContact SD-CB 3.79Å; L481-H501 PolarHBondContact O-NE2 2.89Å; I497-H501 WeakPolarHBondContact O-CB 3.4Å; I497-H501 PolarHBondContact O-N 2.94Å; H501-F503 VanDerWaalsContact C-N 3.3Å; H501-F503 PolarHBondContact O-N 3.27Å; H501-L504 PolarHBondContact O-N 2.89Å; H501-E505 IonicContact CE1-OE2 3.4Å; H501-E505 PolarHBondContact CE1-OE2 3.39Å; H501-E505 IonicContact ND1-OE2 3.56Å; H501-E505 WeakPolarHBondContact O-CB 3.49Å; H501-E505 PolarHBondContact O-N 3.01Å; H501-I510 VanDerWaalsContact CD2-CD1 3.45Å; H501-I510 WeakPolarHBondContact CD2-CD1 3.15Å |
| 502 | A | 97.1 | Very high | 96.2 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.4 | -32 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M498 Q506 | M498-A502 VanDerWaalsContact O-CB 3.29Å; M498-A502 WeakPolarHBondContact O-CB 3.47Å; M498-A502 PolarHBondContact O-N 3.36Å; A502-Q506 WeakPolarHBondContact O-CB 3.18Å; A502-Q506 PolarHBondContact O-N 2.88Å |
| 503 | F | 98.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -46 | 174.1 | 168.8 | -96 | 0 | 0 | 0 | 111.9 | W432 I441 E442 A445 L446 R499 V500 H501 E505 Q506 W507 | W432-F503 HydrophobicContact CH2-CE1 4.35Å; W432-F503 AromaticContact CH2-CZ 3.89Å; W432-F503 HydrophobicContact CH2-CZ 3.89Å; W432-F503 HydrophobicContact CZ2-CZ 4.45Å; I441-F503 HydrophobicContact CG2-CE2 4.3Å; I441-F503 HydrophobicContact CG2-CZ 4.31Å; E442-F503 HydrophobicContact CB-CE1 4.42Å; E442-F503 HydrophobicContact CB-CZ 4.23Å; E442-F503 HydrophobicContact CG-CE1 3.87Å; E442-F503 HydrophobicContact CG-CZ 3.79Å; A445-F503 HydrophobicContact CB-CD2 3.54Å; A445-F503 HydrophobicContact CB-CE2 3.35Å; A445-F503 HydrophobicContact CB-CZ 4.36Å; L446-F503 HydrophobicContact CD1-CB 3.94Å; L446-F503 HydrophobicContact CD1-CD1 3.84Å; L446-F503 HydrophobicContact CD1-CD2 4.47Å; L446-F503 HydrophobicContact CD1-CG 3.82Å; L446-F503 HydrophobicContact CD2-CB 4.44Å; L446-F503 HydrophobicContact CG-CB 4.4Å; L446-F503 HydrophobicContact CG-CG 4.29Å; R499-F503 WeakPolarHBondContact O-CB 3.49Å; R499-F503 PolarHBondContact O-N 2.89Å; V500-F503 PolarHBondContact O-N 2.98Å; H501-F503 VanDerWaalsContact C-N 3.3Å; H501-F503 PolarHBondContact O-N 3.27Å; F503-E505 VanDerWaalsContact C-N 3.35Å; F503-Q506 PolarHBondContact O-N 3.19Å; F503-W507 AromaticContact CD2-CD1 3.8Å; F503-W507 AromaticContact CD2-NE1 3.96Å; F503-W507 AromaticContact CE2-CD1 3.45Å; F503-W507 VanDerWaalsContact CE2-CD1 3.45Å; F503-W507 AromaticContact CE2-NE1 3.39Å; F503-W507 AromaticContact CZ-CD1 3.77Å; F503-W507 AromaticContact CZ-NE1 3.96Å; F503-W507 PolarHBondContact O-N 2.98Å; F503-W507 VanDerWaalsContact O-N 3.16Å |
| 504 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 178 | -67.3 | 173.5 | 0 | 0 | 0 | 111.6 | R466 M469 I470 V500 H501 W507 G508 L509 I510 | R466-L504 HydrophobicContact CB-CD1 4.15Å; R466-L504 HydrophobicContact CB-CD2 4.49Å; M469-L504 HydrophobicContact CB-CD1 3.87Å; M469-L504 HydrophobicContact SD-CD1 4.09Å; I470-L504 HydrophobicContact CD1-CD2 4.03Å; I470-L504 HydrophobicContact CG1-CD1 4.18Å; I470-L504 HydrophobicContact CG1-CD2 4.41Å; V500-L504 HydrophobicContact CG1-CD1 4.12Å; V500-L504 WeakPolarHBondContact O-CG 3.17Å; V500-L504 PolarHBondContact O-N 2.96Å; H501-L504 PolarHBondContact O-N 2.89Å; L504-W507 PolarHBondContact O-N 3.23Å; L504-G508 PolarHBondContact O-N 3.41Å; L504-G508 VanDerWaalsContact O-N 3.17Å; L504-L509 HydrophobicContact CB-CB 4.34Å; L504-L509 HydrophobicContact CD2-CB 4.09Å; L504-L509 HydrophobicContact CD2-CD1 3.73Å; L504-L509 PolarHBondContact O-N 3.35Å; L504-I510 HydrophobicContact CB-CD1 3.9Å; L504-I510 HydrophobicContact CB-CG1 3.8Å; L504-I510 HydrophobicContact CB-CG2 4.35Å; L504-I510 PolarHBondContact O-N 3.42Å |
| 505 | E | 96.8 | Very high | 96.1 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 175 | -177.1 | 176.2 | -167.6 | 0 | 0 | 111.8 | Y480 H501 F503 W507 G508 I510 N511 R519 | Y480-E505 WeakPolarHBondContact CE2-OE1 3.21Å; Y480-E505 PolarHBondContact OH-OE1 2.86Å; Y480-E505 PolarHBondContact OH-OE2 3.44Å; H501-E505 IonicContact CE1-OE2 3.4Å; H501-E505 PolarHBondContact CE1-OE2 3.39Å; H501-E505 IonicContact ND1-OE2 3.56Å; H501-E505 WeakPolarHBondContact O-CB 3.49Å; H501-E505 PolarHBondContact O-N 3.01Å; F503-E505 VanDerWaalsContact C-N 3.35Å; E505-W507 VanDerWaalsContact C-N 3.26Å; E505-W507 PolarHBondContact O-N 3.17Å; E505-G508 PolarHBondContact O-N 3.38Å; E505-I510 HydrophobicContact CB-CD1 4.5Å; E505-I510 HydrophobicContact CB-CG1 4.08Å; E505-N511 HydrophobicContact CG-CB 4.35Å; E505-R519 IonicContact OE1-CZ 2.71Å; E505-R519 VanDerWaalsContact OE1-CZ 3.28Å; E505-R519 IonicContact OE1-NE 3.84Å; E505-R519 PolarHBondContact OE1-NE 2.8Å; E505-R519 IonicContact OE1-NH2 3.74Å; E505-R519 PolarHBondContact OE1-NH2 2.78Å |
| 506 | Q | 96.3 | Very high | 95.7 | Very high | 147 Ų | 147 | 43.3 Ų | 43.3 | 69% | 0.687 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.7 | -33.7 | 176.2 | 179.2 | 179.5 | -5 | 0 | 0 | 112.7 | A502 F503 | A502-Q506 WeakPolarHBondContact O-CB 3.18Å; A502-Q506 PolarHBondContact O-N 2.88Å; F503-Q506 PolarHBondContact O-N 3.19Å |
| 507 | W | 97.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 24% | 0.235 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 2.7 | 176.3 | -76.4 | 97.4 | 0 | 0 | 0 | 113.8 | Y429 A430 W432 I441 F503 L504 E505 L509 | Y429-W507 AromaticContact CD2-CE3 3.76Å; Y429-W507 HydrophobicContact CD2-CE3 3.76Å; Y429-W507 AromaticContact CD2-CZ3 3.93Å; Y429-W507 HydrophobicContact CD2-CZ3 3.93Å; Y429-W507 HydrophobicContact CE2-CE3 4.18Å; Y429-W507 WeakPolarHBondContact O-CZ3 3.48Å; A430-W507 VanDerWaalsContact CB-O 3.3Å; A430-W507 WeakPolarHBondContact CB-O 3.42Å; W432-W507 AromaticContact CE2-CE3 3.9Å; W432-W507 HydrophobicContact CZ2-CB 4.46Å; W432-W507 AromaticContact CZ2-CD2 3.6Å; W432-W507 HydrophobicContact CZ2-CD2 3.6Å; W432-W507 AromaticContact CZ2-CE2 3.95Å; W432-W507 AromaticContact CZ2-CE3 3.8Å; W432-W507 HydrophobicContact CZ2-CE3 3.8Å; W432-W507 AromaticContact CZ2-CG 3.88Å; W432-W507 HydrophobicContact CZ2-CG 3.88Å; W432-W507 HydrophobicContact CZ2-CZ2 4.46Å; W432-W507 HydrophobicContact CZ2-CZ3 4.32Å; W432-W507 AromaticContact NE1-CE3 3.38Å; W432-W507 AromaticContact NE1-CH2 3.83Å; W432-W507 AromaticContact NE1-CZ3 3.23Å; I441-W507 HydrophobicContact CD1-CH2 4.22Å; I441-W507 HydrophobicContact CD1-CZ2 4.47Å; I441-W507 HydrophobicContact CG2-CH2 4.44Å; I441-W507 HydrophobicContact CG2-CZ2 3.69Å; F503-W507 AromaticContact CD2-CD1 3.8Å; F503-W507 AromaticContact CD2-NE1 3.96Å; F503-W507 AromaticContact CE2-CD1 3.45Å; F503-W507 VanDerWaalsContact CE2-CD1 3.45Å; F503-W507 AromaticContact CE2-NE1 3.39Å; F503-W507 AromaticContact CZ-CD1 3.77Å; F503-W507 AromaticContact CZ-NE1 3.96Å; F503-W507 PolarHBondContact O-N 2.98Å; F503-W507 VanDerWaalsContact O-N 3.16Å; L504-W507 PolarHBondContact O-N 3.23Å; E505-W507 VanDerWaalsContact C-N 3.26Å; E505-W507 PolarHBondContact O-N 3.17Å; W507-L509 HydrophobicContact CB-CD1 4.14Å; W507-L509 HydrophobicContact CB-CG 4.18Å; W507-L509 PolarHBondContact O-N 2.88Å |
| 508 | G | 95.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 25.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | P427 L504 E505 Y512 | P427-G508 VanDerWaalsContact CD-O 3.31Å; P427-G508 WeakPolarHBondContact CD-O 3.48Å; L504-G508 PolarHBondContact O-N 3.41Å; L504-G508 VanDerWaalsContact O-N 3.17Å; E505-G508 PolarHBondContact O-N 3.38Å; G508-Y512 WeakPolarHBondContact O-CB 3.37Å |
| 509 | L | 96.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -83.7 | -21.9 | 174.3 | -65.1 | 170.8 | 0 | 0 | 0 | 111.9 | I426 A430 W432 F433 L504 W507 | I426-L509 HydrophobicContact CG2-CD2 4.12Å; A430-L509 HydrophobicContact CB-CD2 4.09Å; W432-L509 HydrophobicContact CH2-CD1 4.42Å; F433-L509 HydrophobicContact CB-CD1 4.11Å; F433-L509 HydrophobicContact CB-CD2 3.7Å; F433-L509 HydrophobicContact CD1-CD2 3.87Å; F433-L509 HydrophobicContact CD2-CD1 3.62Å; F433-L509 HydrophobicContact CD2-CD2 4.3Å; F433-L509 HydrophobicContact CE2-CD1 4.25Å; F433-L509 HydrophobicContact CG-CD1 3.84Å; F433-L509 HydrophobicContact CG-CD2 3.66Å; F433-L509 HydrophobicContact CG-CG 4.42Å; L504-L509 HydrophobicContact CB-CB 4.34Å; L504-L509 HydrophobicContact CD2-CB 4.09Å; L504-L509 HydrophobicContact CD2-CD1 3.73Å; L504-L509 PolarHBondContact O-N 3.35Å; W507-L509 HydrophobicContact CB-CD1 4.14Å; W507-L509 HydrophobicContact CB-CG 4.18Å; W507-L509 PolarHBondContact O-N 2.88Å |
| 510 | I | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -132.8 | 160.7 | 165.1 | 65.2 | 178 | 0 | 0 | 0 | 110.1 | I470 Y473 H501 L504 E505 Y512 | I470-I510 HydrophobicContact CG1-CG2 4Å; Y473-I510 HydrophobicContact CD1-CB 3.99Å; Y473-I510 HydrophobicContact CD1-CG2 4.13Å; Y473-I510 HydrophobicContact CG-CB 3.95Å; Y473-I510 HydrophobicContact CG-CG2 4.14Å; H501-I510 VanDerWaalsContact CD2-CD1 3.45Å; H501-I510 WeakPolarHBondContact CD2-CD1 3.15Å; L504-I510 HydrophobicContact CB-CD1 3.9Å; L504-I510 HydrophobicContact CB-CG1 3.8Å; L504-I510 HydrophobicContact CB-CG2 4.35Å; L504-I510 PolarHBondContact O-N 3.42Å; E505-I510 HydrophobicContact CB-CD1 4.5Å; E505-I510 HydrophobicContact CB-CG1 4.08Å; I510-Y512 PolarHBondContact O-N 3.2Å; I510-Y512 VanDerWaalsContact O-N 3.15Å |
| 511 | N | 96.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 57 | 23.7 | 175.3 | -59.2 | -19.2 | 0 | 0 | 0 | 115.6 | Y473 Y480 L481 E505 V514 | Y473-N511 WeakPolarHBondContact CD2-OD1 3.38Å; Y473-N511 VanDerWaalsContact CE2-N 3.26Å; Y480-N511 HydrophobicContact CD2-CB 3.93Å; Y480-N511 HydrophobicContact CE2-CB 3.86Å; Y480-N511 WeakPolarHBondContact CE2-ND2 3.49Å; L481-N511 WeakPolarHBondContact CB-OD1 3.3Å; L481-N511 PolarHBondContact N-OD1 3.28Å; L481-N511 PolarHBondContact O-ND2 2.85Å; E505-N511 HydrophobicContact CG-CB 4.35Å; N511-V514 HydrophobicContact CB-CG2 4.28Å |
| 512 | Y | 95.9 | Very high | 93.3 | Very high | 115 Ų | 115 | 65 Ų | 65 | 45% | 0.451 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -85.1 | -30.6 | -175.9 | -174.6 | -114.1 | 0 | 0 | 0 | 114.2 | I425 P427 Y473 G508 I510 | I425-Y512 HydrophobicContact CG2-CD1 4.26Å; I425-Y512 HydrophobicContact CG2-CE1 3.92Å; P427-Y512 HydrophobicContact CG-CD1 4.1Å; P427-Y512 HydrophobicContact CG-CD2 3.94Å; P427-Y512 HydrophobicContact CG-CE1 3.94Å; P427-Y512 HydrophobicContact CG-CE2 3.79Å; P427-Y512 HydrophobicContact CG-CG 4.11Å; Y473-Y512 PolarHBondContact OH-N 3.27Å; G508-Y512 WeakPolarHBondContact O-CB 3.37Å; I510-Y512 PolarHBondContact O-N 3.2Å; I510-Y512 VanDerWaalsContact O-N 3.15Å |
| 513 | Q | 93.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 71.8 Ų | 71.8 | 18% | 0.178 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -93.7 | 10.4 | 178.7 | -56.5 | -176.3 | -50.3 | 0 | 0 | 113.7 | H423 I425 Y473 P477 Q478 | H423-Q513 PolarHBondContact O-NE2 3.05Å; I425-Q513 HydrophobicContact CB-CG 4.3Å; I425-Q513 VanDerWaalsContact CG1-NE2 3.25Å; I425-Q513 VanDerWaalsContact N-NE2 3.14Å; Y473-Q513 PolarHBondContact OH-N 3.2Å; P477-Q513 VanDerWaalsContact CG-OE1 3.24Å; Q478-Q513 PolarHBondContact NE2-O 2.85Å; Q478-Q513 VanDerWaalsContact NE2-O 3.12Å |
| 514 | V | 93.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 74.2 Ų | 74.2 | 11% | 0.109 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -89 | 128.5 | -170.9 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | Y473 P477 E479 Y480 N511 S518 | Y473-V514 HydrophobicContact CE2-CG2 3.82Å; P477-V514 WeakPolarHBondContact O-CG2 3.5Å; E479-V514 WeakPolarHBondContact O-CG2 3.33Å; Y480-V514 HydrophobicContact CD2-CG1 4.18Å; N511-V514 HydrophobicContact CB-CG2 4.28Å; V514-S518 WeakPolarHBondContact CG1-OG 3.3Å |
| 515 | D | 89.4 | Confident | 91.8 | Very high | 99 Ų | 99 | 80 Ų | 80 | 53% | 0.529 | 44% | 0.444 | S | S | . | . | trans | -60.8 | 139.5 | -178.1 | -80.6 | -49.6 | 0 | 0 | 0 | 112.5 | E517 S518 R519 | D515-E517 PolarHBondContact O-N 3.02Å; D515-E517 VanDerWaalsContact O-N 3.1Å; D515-S518 PolarHBondContact O-N 3.08Å; D515-S518 PolarHBondContact O-OG 3.25Å; D515-R519 PolarHBondContact O-N 3.27Å | ||
| 516 | A | 86.4 | Confident | 91.2 | Very high | 93 Ų | 93 | 83.3 Ų | 83.3 | 77% | 0.769 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 517 | E | 86.4 | Confident | 90.6 | Very high | 185 Ų | 185 | 81 Ų | 81 | 86% | 0.864 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -25.8 | 175.8 | 61.9 | -177.9 | -178.5 | 0 | 0 | 113.8 | D515 | D515-E517 PolarHBondContact O-N 3.02Å; D515-E517 VanDerWaalsContact O-N 3.1Å |
| 518 | S | 88.8 | Confident | 90.1 | Very high | 59 Ų | 59 | 82.3 Ų | 82.3 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.6 | 177.5 | 75 | 0 | 0 | 0 | 0 | 113 | V514 D515 P520 | V514-S518 WeakPolarHBondContact CG1-OG 3.3Å; D515-S518 PolarHBondContact O-N 3.08Å; D515-S518 PolarHBondContact O-OG 3.25Å; S518-P520 WeakPolarHBondContact O-CD 3.48Å |
| 519 | R | 91.4 | Very high | 89.1 | Confident | 121 Ų | 121 | 87.4 Ų | 87.4 | 46% | 0.457 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -71.4 | 120.7 | 178.8 | -173.1 | 169.3 | -171.7 | -171 | 2.3 | 111 | Y480 E505 D515 T521 | Y480-R519 HydrophobicContact CD2-CB 4.35Å; Y480-R519 HydrophobicContact CD2-CG 3.85Å; Y480-R519 HydrophobicContact CE2-CG 3.69Å; E505-R519 IonicContact OE1-CZ 2.71Å; E505-R519 VanDerWaalsContact OE1-CZ 3.28Å; E505-R519 IonicContact OE1-NE 3.84Å; E505-R519 PolarHBondContact OE1-NE 2.8Å; E505-R519 IonicContact OE1-NH2 3.74Å; E505-R519 PolarHBondContact OE1-NH2 2.78Å; D515-R519 PolarHBondContact O-N 3.27Å; R519-T521 PolarHBondContact O-N 3.05Å; R519-T521 VanDerWaalsContact O-N 3.09Å |
| 520 | P | 90.5 | Very high | 88 | Confident | 81 Ų | 81 | 92.6 Ų | 92.6 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | trans | -60.5 | 114.5 | 179.4 | -24.7 | 35.1 | 0 | 0 | 0 | 112.4 | Y480 T482 S518 | Y480-P520 HydrophobicContact CD1-CG 3.66Å; Y480-P520 HydrophobicContact CE1-CG 4Å; Y480-P520 HydrophobicContact CG-CG 4.23Å; T482-P520 HydrophobicContact CG2-CG 4.48Å; S518-P520 WeakPolarHBondContact O-CD 3.48Å | ||
| 521 | T | 86.9 | Confident | 87.1 | Confident | 103 Ų | 103 | 98.3 Ų | 98.3 | 63% | 0.632 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 154.3 | 175.2 | 47.4 | 0 | 0 | 0 | 0 | 111.2 | R519 M523 | R519-T521 PolarHBondContact O-N 3.05Å; R519-T521 VanDerWaalsContact O-N 3.09Å; T521-M523 PolarHBondContact O-N 3.43Å |
| 522 | P | 86.6 | Confident | 86 | Confident | 126 Ų | 126 | 102.6 Ų | 102.6 | 82% | 0.818 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 126.7 | 172.2 | -21 | 33.5 | 0 | 0 | 0 | 110.9 | G524 | P522-G524 PolarHBondContact O-N 3.01Š|
| 523 | M | 88.3 | Confident | 85.1 | Confident | 190 Ų | 190 | 103.2 Ų | 103.2 | 94% | 0.936 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 127.7 | 179.5 | -68.2 | -68.4 | 169.6 | 0 | 0 | 111.1 | T521 | T521-M523 PolarHBondContact O-N 3.43Š|
| 524 | G | 84.1 | Confident | 84.3 | Confident | 61 Ų | 61 | 108.9 Ų | 108.9 | 63% | 0.629 | 63% | 0.631 | S | S | * | * | trans | -162.2 | 177 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P522 | P522-G524 PolarHBondContact O-N 3.01Š| ||
| 525 | P | 88.9 | Confident | 83.3 | Confident | 120 Ų | 120 | 112.1 Ų | 112.1 | 78% | 0.779 | 66% | 0.66 | S | S | * | * | trans | -66.5 | 154.3 | 176.5 | 29.7 | -35.4 | 0 | 0 | 0 | 111.6 | ||||
| 526 | P | 86 | Confident | 81.5 | Confident | 105 Ų | 105 | 115 Ų | 115 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | trans | -61.3 | 145.4 | 176 | 26.7 | -34.9 | 0 | 0 | 0 | 111.4 | T528 | P526-T528 PolarHBondContact O-N 3.49Å; P526-T528 VanDerWaalsContact O-N 3.15Å | ||
| 527 | P | 83.5 | Confident | 80.3 | Confident | 99 Ų | 99 | 115.1 Ų | 115.1 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | trans | -69.1 | 112 | -173.3 | 26.7 | -34.4 | 0 | 0 | 0 | 112.2 | S529 H530 | P527-S529 VanDerWaalsContact C-N 3.26Å; P527-S529 PolarHBondContact O-N 2.92Å; P527-H530 PolarHBondContact O-CE1 2.86Å; P527-H530 VanDerWaalsContact O-CE1 3.28Å; P527-H530 PolarHBondContact O-ND1 3.35Å | ||
| 528 | T | 85.3 | Confident | 78.5 | Confident | 90 Ų | 90 | 112.1 Ų | 112.1 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | trans | -81.7 | 5.1 | -177.5 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | P526 H530 F531 | P526-T528 PolarHBondContact O-N 3.49Å; P526-T528 VanDerWaalsContact O-N 3.15Å; T528-H530 PolarHBondContact O-N 2.92Å; T528-F531 HydrophobicContact CG2-CD2 4.04Å; T528-F531 HydrophobicContact CG2-CE2 3.56Å; T528-F531 HydrophobicContact CG2-CZ 4.44Å; T528-F531 PolarHBondContact O-N 3.28Å; T528-F531 VanDerWaalsContact O-N 3.09Å | ||
| 529 | S | 74.8 | Confident | 76.6 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -5.6 | -175.5 | 57.7 | 0 | 0 | 0 | 0 | 115.4 | P527 | P527-S529 VanDerWaalsContact C-N 3.26Å; P527-S529 PolarHBondContact O-N 2.92Å |
| 530 | H | 73.5 | Confident | 74.7 | Confident | 120 Ų | 120 | 113.2 Ų | 113.2 | 56% | 0.556 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -6.1 | 177.1 | 65.1 | -85.5 | 0 | 0 | 0 | 113.1 | P527 T528 | P527-H530 PolarHBondContact O-CE1 2.86Å; P527-H530 VanDerWaalsContact O-CE1 3.28Å; P527-H530 PolarHBondContact O-ND1 3.35Å; T528-H530 PolarHBondContact O-N 2.92Å |
| 531 | F | 78.1 | Confident | 72.4 | Confident | 121 Ų | 121 | 116 Ų | 116 | 53% | 0.531 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -77.1 | 141.4 | 177.7 | -63.9 | -30.5 | 0 | 0 | 0 | 112 | T528 V533 | T528-F531 HydrophobicContact CG2-CD2 4.04Å; T528-F531 HydrophobicContact CG2-CE2 3.56Å; T528-F531 HydrophobicContact CG2-CZ 4.44Å; T528-F531 PolarHBondContact O-N 3.28Å; T528-F531 VanDerWaalsContact O-N 3.09Å; F531-V533 PolarHBondContact O-N 3.45Å |
| 532 | H | 73.4 | Confident | 70.4 | Confident | 100 Ų | 100 | 117.5 Ų | 117.5 | 46% | 0.463 | 72% | 0.72 | S | S | . | * | trans | -70.1 | 113.2 | 169.6 | -53.9 | -44.6 | 0 | 0 | 0 | 110 | L534 | H532-L534 PolarHBondContact O-N 3.05Š| ||
| 533 | V | 78.7 | Confident | 68.5 | Low | 128 Ų | 128 | 116.1 Ų | 116.1 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | -89.5 | 102.6 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | F531 | F531-V533 PolarHBondContact O-N 3.45Š| ||
| 534 | L | 75.9 | Confident | 66.3 | Low | 157 Ų | 157 | 113.4 Ų | 113.4 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | trans | -78.7 | 137.3 | 174.3 | -58.3 | 179.8 | 0 | 0 | 0 | 110.8 | H532 | H532-L534 PolarHBondContact O-N 3.05Š| ||
| 535 | A | 72.1 | Confident | 64.3 | Low | 87 Ų | 87 | 118.9 Ų | 118.9 | 72% | 0.719 | 71% | 0.709 | S | S | * | * | trans | -83.8 | 113.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T537 | A535-T537 HydrophobicContact CB-CG2 4.5Å; A535-T537 PolarHBondContact O-N 2.67Å | ||
| 536 | D | 51.8 | Low | 61.9 | Low | 159 Ų | 159 | 118.8 Ų | 118.8 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | -77.5 | 117.2 | 170.2 | -173.6 | 14.5 | 0 | 0 | 0 | 110 | P538 | D536-P538 WeakPolarHBondContact O-CD 3.35Š| ||
| 537 | T | 62.4 | Low | 59.7 | Low | 95 Ų | 95 | 123.5 Ų | 123.5 | 58% | 0.583 | 72% | 0.718 | S | S | * | * | trans | -114.6 | 101.4 | -171.1 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | A535 S539 | A535-T537 HydrophobicContact CB-CG2 4.5Å; A535-T537 PolarHBondContact O-N 2.67Å; T537-S539 PolarHBondContact O-N 2.85Å | ||
| 538 | P | 47.3 | Very low | 57.3 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -72 | 92.8 | 166 | 28.7 | -33.1 | 0 | 0 | 0 | 110.8 | D536 | D536-P538 WeakPolarHBondContact O-CD 3.35Š| ||
| 539 | S | 50.3 | Low | 55.1 | Low | 128 Ų | 128 | 126.2 Ų | 126.2 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 43 | 78.5 | 161.2 | -64.6 | 0 | 0 | 0 | 0 | 117.6 | T537 | T537-S539 PolarHBondContact O-N 2.85Š|
| 540 | G | 49.6 | Very low | 53.4 | Low | 75 Ų | 75 | 129.4 Ų | 129.4 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -129.3 | 6.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 541 | L | 43.5 | Very low | 51.9 | Low | 140 Ų | 140 | 127.8 Ų | 127.8 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -128.2 | 122.9 | -168.9 | -72.4 | 166.7 | 0 | 0 | 0 | 112.6 | P543 | L541-P543 HydrophobicContact CB-CG 4.44Š| ||
| 542 | V | 44.3 | Very low | 49.8 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -112.4 | 98.9 | 152.7 | 175.9 | 0 | 0 | 0 | 0 | 106.9 | L544 | V542-L544 PolarHBondContact O-N 2.73Å; V542-L544 VanDerWaalsContact O-N 3.16Å | ||
| 543 | P | 47.6 | Very low | 48.1 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | trans | -80.3 | 94.7 | 174.8 | -3.3 | 21.5 | 0 | 0 | 0 | 109.1 | L541 Q545 | L541-P543 HydrophobicContact CB-CG 4.44Å; P543-Q545 PolarHBondContact O-N 2.84Å | ||
| 544 | L | 41.5 | Very low | 45.9 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -70.2 | 89.4 | 157.7 | -81.3 | 170.3 | 0 | 0 | 0 | 107.4 | V542 P546 | V542-L544 PolarHBondContact O-N 2.73Å; V542-L544 VanDerWaalsContact O-N 3.16Å; L544-P546 WeakPolarHBondContact O-CD 3.44Å | ||
| 545 | Q | 42.1 | Very low | 43.8 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 117.7 | -176.4 | -71.5 | -180 | -34.1 | 0 | 0 | 111 | P543 | P543-Q545 PolarHBondContact O-N 2.84Š|
| 546 | P | 39.4 | Very low | 41.9 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 155.4 | 162.7 | -18.2 | 33.3 | 0 | 0 | 0 | 109.6 | L544 T548 | L544-P546 WeakPolarHBondContact O-CD 3.44Å; P546-T548 PolarHBondContact O-N 3.38Å |
| 547 | K | 38.1 | Very low | 41 | Very low | 204 Ų | 204 | 127.4 Ų | 127.4 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.5 | -176.3 | -65.6 | 173.4 | -177.4 | 171 | 0 | 111 | ||
| 548 | T | 33.3 | Very low | 39.5 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 129.8 | 176.7 | 37.8 | 0 | 0 | 0 | 0 | 111.1 | P546 Q550 | P546-T548 PolarHBondContact O-N 3.38Å; T548-Q550 PolarHBondContact O-N 3.07Å |
| 549 | P | 38.8 | Very low | 38.9 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.2 | 168.6 | 27.8 | -32.5 | 0 | 0 | 0 | 108 | G551 | P549-G551 PolarHBondContact O-N 2.93Š|
| 550 | Q | 39.6 | Very low | 38 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | trans | -76 | 92.3 | 176.4 | -71.7 | -167.6 | -0.6 | 0 | 0 | 109.4 | T548 R552 | T548-Q550 PolarHBondContact O-N 3.07Å; Q550-R552 PolarHBondContact O-N 2.82Å | ||
| 551 | G | 42.9 | Very low | 37 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | -63.7 | 75 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P549 | P549-G551 PolarHBondContact O-N 2.93Š| ||
| 552 | R | 32.9 | Very low | 36.3 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -129.6 | 92.5 | 177.3 | -170.4 | 169.3 | -170.1 | 168.8 | 4.5 | 110.2 | Q550 V554 | Q550-R552 PolarHBondContact O-N 2.82Å; R552-V554 PolarHBondContact O-N 2.96Å | ||
| 553 | Q | 38.7 | Very low | 35.7 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -41.7 | 127.7 | 156.1 | -170.3 | 169.4 | 8.6 | 0 | 0 | 109.1 | D555 | Q553-D555 PolarHBondContact O-N 3.46Š| ||
| 554 | V | 31.7 | Very low | 34.8 | Very low | 77 Ų | 77 | 137.9 Ų | 137.9 | 47% | 0.467 | 76% | 0.758 | S | S | . | * | trans | -93.5 | 99.8 | -172.3 | -159.9 | 0 | 0 | 0 | 0 | 108 | R552 M589 | R552-V554 PolarHBondContact O-N 2.96Å; V554-M589 HydrophobicContact CB-CE 3.61Å; V554-M589 HydrophobicContact CG1-CE 3.64Å; V554-M589 HydrophobicContact CG1-SD 4.49Å; V554-M589 WeakPolarHBondContact O-CE 3.47Å | ||
| 555 | D | 32.4 | Very low | 34.4 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | trans | -76.4 | 144.3 | 170.3 | -64 | -57.5 | 0 | 0 | 0 | 110.8 | Q553 | Q553-D555 PolarHBondContact O-N 3.46Š| ||
| 556 | A | 32.8 | Very low | 33.9 | Very low | 33 Ų | 33 | 138.2 Ų | 138.2 | 27% | 0.273 | 75% | 0.754 | S | S | . | * | trans | -91.7 | 169.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | M589 L590 | A556-M589 HydrophobicContact CB-CB 3.77Å; A556-L590 HydrophobicContact CB-CB 3.92Å; A556-L590 HydrophobicContact CB-CD1 3.72Å; A556-L590 HydrophobicContact CB-CG 4.07Å | ||
| 557 | D | 31.3 | Very low | 33.5 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 56.7 | 113.4 | 166.8 | -83.3 | -54.8 | 0 | 0 | 0 | 119 | ||||
| 558 | T | 32.2 | Very low | 33 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | -165.3 | 90 | 101.6 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 559 | K | 34 | Very low | 32.7 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | 52.1 | 102.5 | 119.2 | -168.5 | -178.3 | -168.4 | 166.6 | 0 | 120.8 | |||||
| 560 | A | 32 | Very low | 32.4 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 90% | 0.901 | 74% | 0.742 | S | S | * | * | 178.3 | 127.7 | 124.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 561 | G | 27.4 | Very low | 31.9 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | cis | -171.9 | 167.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 562 | R | 30.4 | Very low | 32.2 | Very low | 231 Ų | 231 | 136.3 Ų | 136.3 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | 171.4 | 109.6 | 88.4 | 179.2 | -169 | -148.9 | -165.2 | 7.5 | 112.4 | |||||
| 563 | K | 29.8 | Very low | 31.9 | Very low | 207 Ų | 207 | 134.8 Ų | 134.8 | 90% | 0.9 | 73% | 0.731 | S | S | * | * | trans | 56 | 137.4 | 158.9 | -54.4 | -177 | 176.5 | -169.5 | 0 | 119 | ||||
| 564 | G | 28.8 | Very low | 31.3 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | cis | 148.9 | 157.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 565 | K | 34.2 | Very low | 31.2 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | 81.2 | 114.9 | -177.7 | -68.9 | -174.4 | 157.3 | -77.8 | 0 | 115.2 | ||||
| 566 | E | 30.3 | Very low | 31 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | 81.8 | 143.4 | 84.9 | -75.8 | 166.2 | 172.2 | 0 | 0 | 113.2 | |||||
| 567 | L | 31 | Very low | 30.7 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | cis | -167.3 | 162.4 | -22.1 | -159.4 | 74.1 | 0 | 0 | 0 | 108.5 | ||||
| 568 | D | 27.5 | Very low | 30.4 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 69 | 122.4 | 154.4 | -80.3 | -18.4 | 0 | 0 | 0 | 124.3 | ||||
| 569 | D | 28.4 | Very low | 30.9 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | 83.6 | 148.6 | 123.8 | -140.3 | 6.7 | 0 | 0 | 0 | 124.7 | |||||
| 570 | L | 32.5 | Very low | 30.4 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | 68 | 119 | 163.9 | -53.1 | -178.8 | 0 | 0 | 0 | 124.5 | ||||
| 571 | V | 28.1 | Very low | 30.1 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | 3.3 | 153.6 | 129.4 | -129.2 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 572 | P | 49.4 | Very low | 30 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | -131.9 | -170.5 | -52.4 | 40.8 | -25.1 | 0 | 0 | 0 | 114.4 | |||||
| 573 | E | 26.3 | Very low | 29.7 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 80.4 | 162.4 | 149.5 | -132.6 | -161 | 133.4 | 0 | 0 | 122.2 | ||||
| 574 | T | 26.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 78.9 | 82.4 | 164.9 | 65.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 575 | A | 30.8 | Very low | 29.3 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | 46.3 | 133.7 | 116.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 576 | K | 27.7 | Very low | 29.3 | Very low | 211 Ų | 211 | 135.5 Ų | 135.5 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | 74.3 | 114.7 | 153.9 | -63.6 | 170.3 | -178.9 | 172.2 | 0 | 119.6 | ||||
| 577 | G | 27.2 | Very low | 29.3 | Very low | 86 Ų | 86 | 136 Ų | 136 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -176.4 | 130 | 160.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 578 | K | 24.5 | Very low | 29.3 | Very low | 206 Ų | 206 | 135.4 Ų | 135.4 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | trans | -98.6 | 167.5 | 168.4 | -82.9 | -176.9 | 179.4 | -179 | 0 | 109.3 | ||||
| 579 | P | 42.3 | Very low | 29.3 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -137.6 | -164.6 | -23 | 33.3 | -10.8 | 0 | 0 | 0 | 113.2 | ||||
| 580 | E | 22.7 | Very low | 29.4 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | 87.6 | 93.3 | 138.4 | -152 | 162.9 | 170.6 | 0 | 0 | 122.2 | ||||
| 581 | L | 25.9 | Very low | 29 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | 72.4 | 145.2 | 126.8 | -150.2 | 72.8 | 0 | 0 | 0 | 122.4 | |||||
| 582 | Q | 25.2 | Very low | 29.6 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 87.7 | 102.7 | 170.9 | -54.7 | -168.7 | 7.2 | 0 | 0 | 115.3 | ||||
| 583 | T | 25.7 | Very low | 29.1 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | 55.2 | 120.8 | 79.6 | 66.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 584 | S | 23.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | cis | -154.4 | 168.7 | 35.3 | 57.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 585 | A | 25.6 | Very low | 29.6 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | trans | -44.6 | 156.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 586 | S | 33.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | cis | -170 | 177.7 | -5.9 | -100.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 587 | Q | 31.1 | Very low | 29.9 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | 132.3 | 105.5 | 128 | -165.4 | 168.7 | 1.3 | 0 | 0 | 118.3 | |||||
| 588 | Q | 31.8 | Very low | 29.8 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 62% | 0.621 | 74% | 0.74 | S | S | * | * | trans | 66.9 | 154.1 | 144.7 | -65.4 | 174.8 | -36.4 | 0 | 0 | 120.2 | ||||
| 589 | M | 27.6 | Very low | 29.9 | Very low | 83 Ų | 83 | 139 Ų | 139 | 41% | 0.409 | 74% | 0.738 | S | S | . | * | cis | -168.9 | 165.1 | -10.7 | -103.5 | -90.4 | -80.1 | 0 | 0 | 113.8 | V554 A556 | V554-M589 HydrophobicContact CB-CE 3.61Å; V554-M589 HydrophobicContact CG1-CE 3.64Å; V554-M589 HydrophobicContact CG1-SD 4.49Å; V554-M589 WeakPolarHBondContact O-CE 3.47Å; A556-M589 HydrophobicContact CB-CB 3.77Å | ||
| 590 | L | 28.9 | Very low | 29.8 | Very low | 98 Ų | 98 | 139 Ų | 139 | 51% | 0.513 | 74% | 0.738 | S | S | . | * | trans | 60.2 | 128.2 | 156.2 | -69 | 179.5 | 0 | 0 | 0 | 126.5 | A556 | A556-L590 HydrophobicContact CB-CB 3.92Å; A556-L590 HydrophobicContact CB-CD1 3.72Å; A556-L590 HydrophobicContact CB-CG 4.07Å | ||
| 591 | N | 25.7 | Very low | 30 | Very low | 122 Ų | 122 | 138 Ų | 138 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | 61.4 | 122.1 | 129.8 | -71.8 | 14.4 | 0 | 0 | 0 | 126.5 | |||||
| 592 | F | 40 | Very low | 30.3 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | 40.4 | 137.8 | 117.6 | -70.5 | -75.3 | 0 | 0 | 0 | 121.2 | |||||
| 593 | P | 39 | Very low | 30.6 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | -142.7 | 146.1 | 86.9 | 38.3 | -23.6 | 0 | 0 | 0 | 118.7 | |||||
| 594 | D | 36.5 | Very low | 30.9 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | -16.4 | 151.1 | 150.8 | 174.5 | 47 | 0 | 0 | 0 | 120.6 | G596 | D594-G596 PolarHBondContact OD1-N 2.92Š| ||
| 595 | K | 27.1 | Very low | 31.1 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | trans | -163.1 | 119 | 139.6 | -107.4 | 158.9 | -171.1 | 170.6 | 0 | 112 | ||||
| 596 | G | 32.7 | Very low | 31.4 | Very low | 57 Ų | 57 | 145.4 Ų | 145.4 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | trans | -114.8 | -155.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D594 | D594-G596 PolarHBondContact OD1-N 2.92Š| ||
| 597 | K | 32.1 | Very low | 31.2 | Very low | 206 Ų | 206 | 143.4 Ų | 143.4 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | trans | 79.2 | 144.7 | -169.7 | -51.7 | 178.3 | 179.9 | 177.9 | 0 | 112.6 | ||||
| 598 | E | 25.2 | Very low | 31.4 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | cis | -134.4 | -169.4 | 33.2 | -67.3 | -169.4 | 138.2 | 0 | 0 | 116.1 | ||||
| 599 | K | 26.9 | Very low | 31.4 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -140.9 | 168.2 | 177.6 | -124.6 | -174.3 | -179.1 | -178.3 | 0 | 106.2 | ||||
| 600 | P | 38.4 | Very low | 31.9 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -130.3 | -170.1 | -6.1 | 42.4 | -26.2 | 0 | 0 | 0 | 113 | ||||
| 601 | T | 27.8 | Very low | 32.2 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | -134.1 | 145.6 | 156.5 | -46.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 602 | D | 32.7 | Very low | 32.8 | Very low | 141 Ų | 141 | 153.3 Ų | 153.3 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -119.4 | 146.3 | -161.2 | -156.6 | 4.3 | 0 | 0 | 0 | 115.2 | ||||
| 603 | M | 31.8 | Very low | 32.7 | Very low | 142 Ų | 142 | 153.9 Ų | 153.9 | 70% | 0.7 | 79% | 0.789 | S | S | * | * | trans | 63.7 | 138.4 | 153.6 | -105 | -165.3 | 163.1 | 0 | 0 | 124.5 | ||||
| 604 | Q | 31.3 | Very low | 32.5 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 73.3 | 129.5 | 155.9 | -59.3 | 164.2 | 39.9 | 0 | 0 | 116.3 | ||||
| 605 | N | 28 | Very low | 32.5 | Very low | 141 Ų | 141 | 155.4 Ų | 155.4 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | cis | -148.8 | 178.6 | 29.9 | -141.1 | -16.9 | 0 | 0 | 0 | 115 | ||||
| 606 | F | 31.2 | Very low | 32.7 | Very low | 209 Ų | 209 | 153.7 Ų | 153.7 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -61.7 | 144 | -169.9 | -82.1 | -119.6 | 0 | 0 | 0 | 116.5 | ||||
| 607 | G | 28.6 | Very low | 32.6 | Very low | 72 Ų | 72 | 158.4 Ų | 158.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -174.5 | 117.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R609 | G607-R609 PolarHBondContact O-N 3.09Š| ||
| 608 | L | 36.3 | Very low | 32.5 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -9.2 | 109.5 | 170.6 | -167 | 71.9 | 0 | 0 | 0 | 118.2 | T610 | L608-T610 PolarHBondContact O-N 3.39Å; L608-T610 VanDerWaalsContact O-N 3.09Å | ||
| 609 | R | 32.6 | Very low | 33.2 | Very low | 229 Ų | 229 | 151 Ų | 151 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -76 | 89.6 | 169.6 | -82.4 | -170.8 | 176.9 | 165.1 | -0.6 | 112.3 | G607 D611 | G607-R609 PolarHBondContact O-N 3.09Å; R609-D611 HydrophobicContact CB-CB 4.4Å; R609-D611 PolarHBondContact O-N 3.41Å | ||
| 610 | T | 37.3 | Very low | 33.5 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | -82.1 | 50.8 | 170.1 | -45 | 0 | 0 | 0 | 0 | 111.3 | L608 | L608-T610 PolarHBondContact O-N 3.39Å; L608-T610 VanDerWaalsContact O-N 3.09Å | ||
| 611 | D | 35.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -113.1 | 37.8 | -159.1 | -138.9 | -9.7 | 0 | 0 | 0 | 113.6 | R609 | R609-D611 HydrophobicContact CB-CB 4.4Å; R609-D611 PolarHBondContact O-N 3.41Å | ||
| 612 | M | 37.3 | Very low | 33.4 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -118.2 | 21.8 | -178.5 | -159.8 | 164.1 | 66.6 | 0 | 0 | 112.8 | ||
| 613 | Y | 38.8 | Very low | 33.7 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -140.6 | 17.4 | -176.2 | -114.9 | -74.2 | 0 | 0 | 0 | 116.9 | ||
| 614 | T | 34 | Very low | 33.8 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | trans | -96 | -14.9 | -176.7 | -38.6 | 0 | 0 | 0 | 0 | 114 | K616 | T614-K616 VanDerWaalsContact C-N 3.26Å; T614-K616 PolarHBondContact O-N 3.14Å | ||
| 615 | K | 36.7 | Very low | 34 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | trans | -74.3 | 73.2 | 175.3 | -163.9 | 178.5 | 179.1 | -174.2 | 0 | 111.2 | E631 | K615-E631 IonicContact NZ-OE1 3.89Å; K615-E631 PolarHBondContact NZ-OE1 2.8Å; K615-E631 IonicContact NZ-OE2 2.72Å | ||
| 616 | K | 32.5 | Very low | 34.3 | Very low | 169 Ų | 169 | 145 Ų | 145 | 74% | 0.735 | 79% | 0.786 | S | S | * | * | trans | -111.5 | 62.9 | 174.9 | -82.5 | -171.7 | 176.5 | 175.4 | 0 | 112.5 | T614 | T614-K616 VanDerWaalsContact C-N 3.26Å; T614-K616 PolarHBondContact O-N 3.14Å | ||
| 617 | N | 30.7 | Very low | 34.6 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -74.5 | 143.1 | 152.8 | -83.9 | 26.8 | 0 | 0 | 0 | 108.9 | P619 | N617-P619 VanDerWaalsContact O-CD 3.28Å; N617-P619 WeakPolarHBondContact O-CD 3.42Å | ||
| 618 | V | 30.2 | Very low | 35.2 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -70.8 | 116.5 | -167.7 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | S620 | V618-S620 PolarHBondContact O-N 3.02Š| ||
| 619 | P | 39.1 | Very low | 36 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -82.8 | 84.5 | 179.1 | 33 | -32.5 | 0 | 0 | 0 | 110.8 | N617 K621 | N617-P619 VanDerWaalsContact O-CD 3.28Å; N617-P619 WeakPolarHBondContact O-CD 3.42Å; P619-K621 PolarHBondContact O-N 2.84Å | ||
| 620 | S | 32.8 | Very low | 37.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -58.1 | 104.9 | 170.5 | -72.6 | 0 | 0 | 0 | 0 | 110.6 | V618 S622 | V618-S620 PolarHBondContact O-N 3.02Å; S620-S622 PolarHBondContact O-N 2.7Å | ||
| 621 | K | 32.9 | Very low | 39.9 | Very low | 206 Ų | 206 | 137.2 Ų | 137.2 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -83.4 | 67 | -155.4 | -162.5 | 172.9 | -174 | 170.8 | 0 | 114.5 | P619 K623 | P619-K621 PolarHBondContact O-N 2.84Å; K621-K623 PolarHBondContact O-N 2.78Å | ||
| 622 | S | 32.1 | Very low | 42.3 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -72.5 | 119 | 167.4 | 55 | 0 | 0 | 0 | 0 | 110.8 | S620 A624 | S620-S622 PolarHBondContact O-N 2.7Å; S622-A624 PolarHBondContact O-N 2.83Å | ||
| 623 | K | 38.3 | Very low | 44.9 | Very low | 216 Ų | 216 | 128 Ų | 128 | 94% | 0.939 | 71% | 0.709 | S | S | * | * | trans | -85.3 | 75.8 | -174.1 | -169.3 | -174.3 | 174.9 | -175.5 | 0 | 111.7 | K621 | K621-K623 PolarHBondContact O-N 2.78Š| ||
| 624 | A | 33 | Very low | 47.2 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | trans | -131 | 34.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S622 A626 | S622-A624 PolarHBondContact O-N 2.83Å; A624-A626 PolarHBondContact O-N 3.38Å | ||
| 625 | A | 35.6 | Very low | 49.8 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 64.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 626 | A | 35.2 | Very low | 52.4 | Low | 94 Ų | 94 | 119.7 Ų | 119.7 | 78% | 0.777 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.4 | -0.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A624 | A624-A626 PolarHBondContact O-N 3.38Š|
| 627 | S | 37.6 | Very low | 55.1 | Low | 112 Ų | 112 | 113 Ų | 113 | 78% | 0.783 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -144.3 | 21.3 | -178.8 | -46.8 | 0 | 0 | 0 | 0 | 112.7 | T629 | S627-T629 PolarHBondContact O-N 3.41Š|
| 628 | A | 40.8 | Very low | 58 | Low | 93 Ų | 93 | 109.8 Ų | 109.8 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | trans | -77.6 | 104.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 629 | T | 53.9 | Low | 61 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 164.9 | 159.3 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | S627 E665 | S627-T629 PolarHBondContact O-N 3.41Å; T629-E665 WeakPolarHBondContact CB-OE1 3.32Å; T629-E665 PolarHBondContact OG1-OE1 3.27Å |
| 630 | R | 69.3 | Low | 63.5 | Low | 190 Ų | 190 | 100.2 Ų | 100.2 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 143.3 | -176.6 | -177.6 | 178.5 | 171.4 | -179.6 | -3.9 | 112.3 | W632 R661 | R630-W632 PolarHBondContact O-N 3.45Å; R630-R661 VanDerWaalsContact O-CZ 3.28Å; R630-R661 PolarHBondContact O-NH1 3.4Å; R630-R661 PolarHBondContact O-NH2 2.78Å |
| 631 | E | 82.4 | Confident | 66.3 | Low | 144 Ų | 144 | 99.1 Ų | 99.1 | 67% | 0.673 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 140 | 171.7 | -167.5 | 174.8 | 179.2 | 0 | 0 | 109.7 | K615 R661 | K615-E631 IonicContact NZ-OE1 3.89Å; K615-E631 PolarHBondContact NZ-OE1 2.8Å; K615-E631 IonicContact NZ-OE2 2.72Å; E631-R661 PolarHBondContact O-NH2 2.81Å |
| 632 | W | 86.1 | Confident | 69.2 | Low | 49 Ų | 49 | 93.5 Ų | 93.5 | 19% | 0.186 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 133.4 | -179.4 | -84.3 | 77.5 | 0 | 0 | 0 | 110.7 | R630 E636 L640 V658 R661 E665 H669 | R630-W632 PolarHBondContact O-N 3.45Å; W632-E636 HydrophobicContact CE3-CB 3.55Å; W632-E636 HydrophobicContact CZ3-CB 3.83Å; W632-L640 HydrophobicContact CH2-CB 4.47Å; W632-L640 HydrophobicContact CH2-CD2 3.91Å; W632-L640 HydrophobicContact CZ3-CB 4.07Å; W632-L640 HydrophobicContact CZ3-CD2 3.94Å; W632-V658 HydrophobicContact CH2-CG1 4.27Å; W632-V658 HydrophobicContact CZ3-CG1 4.25Å; W632-R661 HydrophobicContact CH2-CB 4.07Å; W632-R661 HydrophobicContact CH2-CG 3.69Å; W632-R661 HydrophobicContact CZ2-CB 4.09Å; W632-R661 HydrophobicContact CZ2-CG 3.7Å; W632-R661 HydrophobicContact CZ3-CG 4.19Å; W632-E665 HydrophobicContact CZ2-CB 4.1Å; W632-E665 WeakPolarHBondContact CZ2-O 3.44Å; W632-H669 AromaticContact CD1-CG 3.97Å; W632-H669 AromaticContact CD1-ND1 3.82Å; W632-H669 HydrophobicContact CD2-CB 4.04Å; W632-H669 AromaticContact CD2-CD2 3.27Å; W632-H669 AromaticContact CD2-CG 3.53Å; W632-H669 AromaticContact CD2-NE2 3.6Å; W632-H669 AromaticContact CE2-CD2 3.71Å; W632-H669 AromaticContact CE2-CG 3.57Å; W632-H669 AromaticContact CE3-CD2 3.23Å; W632-H669 AromaticContact CE3-CG 3.96Å; W632-H669 AromaticContact CE3-NE2 3.61Å; W632-H669 AromaticContact CG-CD2 3.76Å; W632-H669 AromaticContact CG-CE1 3.66Å; W632-H669 AromaticContact CG-CG 3.81Å; W632-H669 AromaticContact CG-ND1 3.75Å; W632-H669 AromaticContact CG-NE2 3.66Å; W632-H669 HydrophobicContact CH2-CB 4.14Å; W632-H669 HydrophobicContact CZ2-CB 3.58Å; W632-H669 AromaticContact CZ3-CD2 3.65Å; W632-H669 AromaticContact NE1-CG 3.84Å |
| 633 | T | 90.3 | Very high | 72 | Confident | 52 Ų | 52 | 88.5 Ų | 88.5 | 32% | 0.319 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 160.2 | 172.8 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | Q635 E636 T637 | T633-Q635 VanDerWaalsContact C-N 3.26Å; T633-Q635 PolarHBondContact O-N 3.09Å; T633-E636 WeakPolarHBondContact CB-OE2 3.44Å; T633-E636 WeakPolarHBondContact CG2-OE2 3.39Å; T633-E636 PolarHBondContact N-OE2 3.47Å; T633-E636 PolarHBondContact O-N 2.83Å; T633-E636 VanDerWaalsContact OG1-CD 3.3Å; T633-E636 VanDerWaalsContact OG1-CG 3.23Å; T633-E636 WeakPolarHBondContact OG1-CG 3.34Å; T633-E636 PolarHBondContact OG1-N 3.19Å; T633-E636 PolarHBondContact OG1-OE2 3.4Å; T633-T637 WeakPolarHBondContact O-CB 3.12Å; T633-T637 PolarHBondContact O-N 3.41Å; T633-T637 PolarHBondContact O-OG1 3.07Å |
| 634 | E | 87.3 | Confident | 74.5 | Confident | 179 Ų | 179 | 79.2 Ų | 79.2 | 84% | 0.836 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.7 | -38 | 174.4 | -66.5 | 169.8 | -165.7 | 0 | 0 | 111.4 | T637 L638 | E634-T637 PolarHBondContact O-N 2.66Å; E634-L638 WeakPolarHBondContact O-CB 3.17Å; E634-L638 PolarHBondContact O-N 3.2Å |
| 635 | Q | 89.6 | Confident | 77.3 | Confident | 117 Ų | 117 | 83.3 Ų | 83.3 | 55% | 0.547 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 177.2 | -174.7 | 62.4 | 51.1 | 0 | 0 | 112.8 | T633 T637 L638 L639 | T633-Q635 VanDerWaalsContact C-N 3.26Å; T633-Q635 PolarHBondContact O-N 3.09Å; Q635-T637 VanDerWaalsContact C-N 3.28Å; Q635-T637 PolarHBondContact O-N 2.93Å; Q635-L638 PolarHBondContact O-N 3.48Å; Q635-L639 HydrophobicContact CG-CD1 4.32Å; Q635-L639 WeakPolarHBondContact O-CG 3.49Å; Q635-L639 PolarHBondContact O-N 2.56Å |
| 636 | E | 90.9 | Very high | 79.7 | Confident | 15 Ų | 15 | 83.4 Ų | 83.4 | 7% | 0.07 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 173.4 | -70.5 | 163.5 | 120.8 | 0 | 0 | 111 | W632 T633 L640 S660 R661 | W632-E636 HydrophobicContact CE3-CB 3.55Å; W632-E636 HydrophobicContact CZ3-CB 3.83Å; T633-E636 WeakPolarHBondContact CB-OE2 3.44Å; T633-E636 WeakPolarHBondContact CG2-OE2 3.39Å; T633-E636 PolarHBondContact N-OE2 3.47Å; T633-E636 PolarHBondContact O-N 2.83Å; T633-E636 VanDerWaalsContact OG1-CD 3.3Å; T633-E636 VanDerWaalsContact OG1-CG 3.23Å; T633-E636 WeakPolarHBondContact OG1-CG 3.34Å; T633-E636 PolarHBondContact OG1-N 3.19Å; T633-E636 PolarHBondContact OG1-OE2 3.4Å; E636-L640 WeakPolarHBondContact O-CB 3.28Å; E636-L640 PolarHBondContact O-N 3.15Å; E636-S660 PolarHBondContact OE1-OG 3.16Å; E636-R661 IonicContact OE1-CZ 2.58Å; E636-R661 VanDerWaalsContact OE1-CZ 3.23Å; E636-R661 IonicContact OE1-NE 2.78Å; E636-R661 PolarHBondContact OE1-NE 2.86Å; E636-R661 IonicContact OE1-NH2 2.66Å; E636-R661 PolarHBondContact OE1-NH2 3.46Å; E636-R661 IonicContact OE2-NH2 3.24Å; E636-R661 PolarHBondContact OE2-NH2 3.24Å |
| 637 | T | 89.9 | Confident | 82.3 | Confident | 28 Ų | 28 | 82.7 Ų | 82.7 | 17% | 0.172 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | T633 E634 Q635 L640 L641 H669 L673 | T633-T637 WeakPolarHBondContact O-CB 3.12Å; T633-T637 PolarHBondContact O-N 3.41Å; T633-T637 PolarHBondContact O-OG1 3.07Å; E634-T637 PolarHBondContact O-N 2.66Å; Q635-T637 VanDerWaalsContact C-N 3.28Å; Q635-T637 PolarHBondContact O-N 2.93Å; T637-L640 PolarHBondContact O-N 3.13Å; T637-L641 WeakPolarHBondContact O-CG 3.38Å; T637-L641 PolarHBondContact O-N 3.32Å; T637-L641 VanDerWaalsContact O-N 3.08Å; T637-H669 PolarHBondContact OG1-NE2 3.29Å; T637-L673 HydrophobicContact CG2-CD2 3.99Å |
| 638 | L | 91.6 | Very high | 84.8 | Confident | 90 Ų | 90 | 83.9 Ų | 83.9 | 47% | 0.471 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.5 | -48.7 | 173.2 | -170.2 | 159.6 | 0 | 0 | 0 | 110.9 | E634 Q635 L640 L641 E642 | E634-L638 WeakPolarHBondContact O-CB 3.17Å; E634-L638 PolarHBondContact O-N 3.2Å; Q635-L638 PolarHBondContact O-N 3.48Å; L638-L640 VanDerWaalsContact C-N 3.26Å; L638-L640 PolarHBondContact O-N 3.18Å; L638-L641 PolarHBondContact O-N 2.8Å; L638-L641 VanDerWaalsContact O-N 3.09Å; L638-E642 PolarHBondContact O-N 3.45Å |
| 639 | L | 92.2 | Very high | 86.9 | Confident | 41 Ų | 41 | 86 Ų | 86 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61 | -34.1 | 175.8 | -71.8 | 168.8 | 0 | 0 | 0 | 112.3 | Q635 A643 H657 V658 | Q635-L639 HydrophobicContact CG-CD1 4.32Å; Q635-L639 WeakPolarHBondContact O-CG 3.49Å; Q635-L639 PolarHBondContact O-N 2.56Å; L639-A643 WeakPolarHBondContact O-CB 3.32Å; L639-A643 PolarHBondContact O-N 2.87Å; L639-H657 PolarHBondContact O-CD2 3.32Å; L639-V658 HydrophobicContact CB-CG2 4.3Å |
| 640 | L | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 172.8 | 175.4 | 62.8 | 0 | 0 | 0 | 111.3 | W632 E636 T637 L638 L644 V654 V658 C666 H669 F670 | W632-L640 HydrophobicContact CH2-CB 4.47Å; W632-L640 HydrophobicContact CH2-CD2 3.91Å; W632-L640 HydrophobicContact CZ3-CB 4.07Å; W632-L640 HydrophobicContact CZ3-CD2 3.94Å; E636-L640 WeakPolarHBondContact O-CB 3.28Å; E636-L640 PolarHBondContact O-N 3.15Å; T637-L640 PolarHBondContact O-N 3.13Å; L638-L640 VanDerWaalsContact C-N 3.26Å; L638-L640 PolarHBondContact O-N 3.18Å; L640-L644 HydrophobicContact CD1-CD1 3.93Å; L640-L644 HydrophobicContact CD1-CG 4.27Å; L640-L644 HydrophobicContact CG-CD1 3.91Å; L640-L644 WeakPolarHBondContact O-CB 3.33Å; L640-L644 WeakPolarHBondContact O-CD1 3.46Å; L640-L644 WeakPolarHBondContact O-CG 3.45Å; L640-L644 PolarHBondContact O-N 2.92Å; L640-V654 HydrophobicContact CD1-CG1 3.44Å; L640-V654 VanDerWaalsContact CD1-CG1 3.44Å; L640-V658 HydrophobicContact CB-CG2 3.94Å; L640-V658 HydrophobicContact CD1-CG2 4.35Å; L640-C666 HydrophobicContact CD1-CB 3.74Å; L640-H669 HydrophobicContact CD2-CB 4.1Å; L640-F670 HydrophobicContact CD2-CB 4.38Å |
| 641 | L | 91.7 | Very high | 89.6 | Confident | 83 Ų | 83 | 77.6 Ų | 77.6 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 179.6 | -70.3 | 170.3 | 0 | 0 | 0 | 112.4 | T637 L638 L644 E645 L673 | T637-L641 WeakPolarHBondContact O-CG 3.38Å; T637-L641 PolarHBondContact O-N 3.32Å; T637-L641 VanDerWaalsContact O-N 3.08Å; L638-L641 PolarHBondContact O-N 2.8Å; L638-L641 VanDerWaalsContact O-N 3.09Å; L641-L644 PolarHBondContact O-N 3.04Å; L641-E645 PolarHBondContact O-N 3.38Å; L641-L673 HydrophobicContact CD2-CD1 3.85Å; L641-L673 HydrophobicContact CG-CD1 4.41Å |
| 642 | E | 92.7 | Very high | 90 | Very high | 87 Ų | 87 | 75 Ų | 75 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 173.1 | -178 | 173.9 | 173.3 | 0 | 0 | 110.9 | L638 L644 E645 M646 H657 | L638-E642 PolarHBondContact O-N 3.45Å; E642-L644 VanDerWaalsContact C-N 3.33Å; E642-L644 PolarHBondContact O-N 3.22Å; E642-E645 PolarHBondContact O-N 2.73Å; E642-M646 HydrophobicContact CG-SD 4.23Å; E642-M646 WeakPolarHBondContact O-CG 3.29Å; E642-M646 PolarHBondContact O-N 3.27Å; E642-H657 IonicContact OE1-CE1 2.58Å |
| 643 | A | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.7 | -33.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L639 Y647 V654 H657 | L639-A643 WeakPolarHBondContact O-CB 3.32Å; L639-A643 PolarHBondContact O-N 2.87Å; A643-Y647 HydrophobicContact CB-CD2 4.02Å; A643-Y647 HydrophobicContact CB-CE2 4.29Å; A643-Y647 WeakPolarHBondContact O-CA 3.5Å; A643-Y647 WeakPolarHBondContact O-CB 3.42Å; A643-Y647 VanDerWaalsContact O-CD2 3.23Å; A643-Y647 WeakPolarHBondContact O-CD2 3.5Å; A643-Y647 PolarHBondContact O-N 3.05Å; A643-V654 HydrophobicContact CB-CB 4.35Å; A643-V654 HydrophobicContact CB-CG1 4.16Å; A643-V654 HydrophobicContact CB-CG2 4.33Å; A643-H657 HydrophobicContact CB-CB 3.74Å |
| 644 | L | 90.6 | Very high | 90.2 | Very high | 22 Ų | 22 | 74.5 Ų | 74.5 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.6 | -35.6 | 173.7 | -75.4 | 165.8 | 0 | 0 | 0 | 112.3 | L640 L641 E642 K648 W651 V654 F670 | L640-L644 HydrophobicContact CD1-CD1 3.93Å; L640-L644 HydrophobicContact CD1-CG 4.27Å; L640-L644 HydrophobicContact CG-CD1 3.91Å; L640-L644 WeakPolarHBondContact O-CB 3.33Å; L640-L644 WeakPolarHBondContact O-CD1 3.46Å; L640-L644 WeakPolarHBondContact O-CG 3.45Å; L640-L644 PolarHBondContact O-N 2.92Å; L641-L644 PolarHBondContact O-N 3.04Å; E642-L644 VanDerWaalsContact C-N 3.33Å; E642-L644 PolarHBondContact O-N 3.22Å; L644-K648 WeakPolarHBondContact O-CA 3.23Å; L644-K648 WeakPolarHBondContact O-CG 3.33Å; L644-K648 PolarHBondContact O-N 3.46Å; L644-W651 HydrophobicContact CD2-CH2 3.64Å; L644-W651 HydrophobicContact CD2-CZ2 4.27Å; L644-W651 HydrophobicContact CD2-CZ3 3.83Å; L644-V654 HydrophobicContact CD2-CG1 4.49Å; L644-V654 HydrophobicContact CD2-CG2 4.18Å; L644-V654 HydrophobicContact CG-CG1 4.38Å; L644-F670 HydrophobicContact CD1-CB 4.18Å; L644-F670 HydrophobicContact CD1-CD2 3.34Å; L644-F670 HydrophobicContact CD1-CE2 3.8Å; L644-F670 HydrophobicContact CD1-CG 3.78Å |
| 645 | E | 91.6 | Very high | 90.3 | Very high | 163 Ų | 163 | 66.4 Ų | 66.4 | 76% | 0.762 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.8 | -43.8 | 172 | -173.2 | 171 | -172.1 | 0 | 0 | 111.2 | L641 E642 | L641-E645 PolarHBondContact O-N 3.38Å; E642-E645 PolarHBondContact O-N 2.73Å |
| 646 | M | 87.3 | Confident | 90.4 | Very high | 108 Ų | 108 | 68.2 Ų | 68.2 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.9 | -41.6 | -179.2 | -69.6 | -176.2 | 72.4 | 0 | 0 | 114.5 | E642 | E642-M646 HydrophobicContact CG-SD 4.23Å; E642-M646 WeakPolarHBondContact O-CG 3.29Å; E642-M646 PolarHBondContact O-N 3.27Å |
| 647 | Y | 90 | Very high | 90.4 | Very high | 79 Ų | 79 | 69.9 Ų | 69.9 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -121 | -12.7 | -167.2 | -48.3 | -57.9 | 0 | 0 | 0 | 114.7 | A643 D649 D650 K653 H657 | A643-Y647 HydrophobicContact CB-CD2 4.02Å; A643-Y647 HydrophobicContact CB-CE2 4.29Å; A643-Y647 WeakPolarHBondContact O-CA 3.5Å; A643-Y647 WeakPolarHBondContact O-CB 3.42Å; A643-Y647 VanDerWaalsContact O-CD2 3.23Å; A643-Y647 WeakPolarHBondContact O-CD2 3.5Å; A643-Y647 PolarHBondContact O-N 3.05Å; Y647-D649 PolarHBondContact O-N 3.27Å; Y647-D650 PolarHBondContact O-N 3.4Å; Y647-K653 HydrophobicContact CD1-CB 4.07Å; Y647-K653 HydrophobicContact CD1-CD 3.61Å; Y647-K653 HydrophobicContact CD2-CB 3.68Å; Y647-K653 HydrophobicContact CE1-CB 4.48Å; Y647-K653 HydrophobicContact CE1-CD 3.92Å; Y647-K653 HydrophobicContact CE2-CB 4.14Å; Y647-K653 HydrophobicContact CG-CB 3.64Å; Y647-K653 HydrophobicContact CG-CD 4.05Å; Y647-H657 HydrophobicContact CE2-CB 3.96Å; Y647-H657 AromaticContact CE2-ND1 3.76Å |
| 648 | K | 88.8 | Confident | 90.4 | Very high | 136 Ų | 136 | 68.9 Ų | 68.9 | 59% | 0.591 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | -120.1 | 178.6 | -54.3 | -172.6 | 179.8 | -166.6 | 0 | 111.7 | L644 D650 | L644-K648 WeakPolarHBondContact O-CA 3.23Å; L644-K648 WeakPolarHBondContact O-CG 3.33Å; L644-K648 PolarHBondContact O-N 3.46Å; K648-D650 PolarHBondContact O-N 3.03Å |
| 649 | D | 86.4 | Confident | 90 | Very high | 138 Ų | 138 | 67.7 Ų | 67.7 | 74% | 0.738 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 2.4 | -173.5 | -53.8 | -52.8 | 0 | 0 | 0 | 114.7 | Y647 W651 | Y647-D649 PolarHBondContact O-N 3.27Å; D649-W651 VanDerWaalsContact C-N 3.31Å; D649-W651 PolarHBondContact O-N 3.36Å; D649-W651 PolarHBondContact O-NE1 2.87Å |
| 650 | D | 89.7 | Confident | 89.7 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | trans | -83.5 | 75.9 | 175.2 | -167.6 | -7.3 | 0 | 0 | 0 | 111.9 | Y647 K648 N652 K653 V654 | Y647-D650 PolarHBondContact O-N 3.4Å; K648-D650 PolarHBondContact O-N 3.03Å; D650-N652 PolarHBondContact O-N 3.07Å; D650-N652 WeakPolarHBondContact OD1-CB 3.35Å; D650-N652 PolarHBondContact OD1-N 3.1Å; D650-N652 PolarHBondContact OD1-ND2 3.37Å; D650-K653 PolarHBondContact O-N 2.92Å; D650-K653 IonicContact OD2-NZ 3.89Å; D650-K653 PolarHBondContact OD2-NZ 3.15Å; D650-V654 PolarHBondContact O-N 2.99Å; D650-V654 VanDerWaalsContact O-N 3.1Å | ||
| 651 | W | 90.1 | Very high | 89.4 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55 | -22.1 | -177.8 | -63.5 | 101.4 | 0 | 0 | 0 | 114.7 | L644 D649 V654 S655 C666 I667 F670 | L644-W651 HydrophobicContact CD2-CH2 3.64Å; L644-W651 HydrophobicContact CD2-CZ2 4.27Å; L644-W651 HydrophobicContact CD2-CZ3 3.83Å; D649-W651 VanDerWaalsContact C-N 3.31Å; D649-W651 PolarHBondContact O-N 3.36Å; D649-W651 PolarHBondContact O-NE1 2.87Å; W651-V654 HydrophobicContact CE3-CB 4.25Å; W651-V654 HydrophobicContact CE3-CG1 4.1Å; W651-V654 HydrophobicContact CE3-CG2 4.5Å; W651-V654 HydrophobicContact CZ3-CG1 4.25Å; W651-S655 WeakPolarHBondContact O-CB 3.5Å; W651-S655 PolarHBondContact O-N 3.25Å; W651-S655 PolarHBondContact O-OG 2.79Å; W651-C666 HydrophobicContact CE3-CB 4.21Å; W651-C666 HydrophobicContact CZ3-CB 4.25Å; W651-I667 HydrophobicContact CB-CD1 4.37Å; W651-I667 HydrophobicContact CD2-CD1 3.99Å; W651-I667 HydrophobicContact CD2-CG1 3.34Å; W651-I667 HydrophobicContact CE3-CB 4.44Å; W651-I667 HydrophobicContact CE3-CD1 4.39Å; W651-I667 HydrophobicContact CE3-CG1 3.39Å; W651-I667 HydrophobicContact CG-CD1 3.93Å; W651-I667 HydrophobicContact CG-CG1 3.85Å; W651-I667 HydrophobicContact CH2-CG1 4.06Å; W651-I667 HydrophobicContact CZ2-CG1 4.04Å; W651-I667 HydrophobicContact CZ3-CB 4.37Å; W651-I667 HydrophobicContact CZ3-CG1 3.75Å; W651-F670 HydrophobicContact CH2-CB 4.1Å; W651-F670 AromaticContact CH2-CD1 3.73Å; W651-F670 HydrophobicContact CH2-CD1 3.73Å; W651-F670 HydrophobicContact CH2-CE1 4.5Å; W651-F670 HydrophobicContact CH2-CG 4.12Å; W651-F670 HydrophobicContact CZ2-CD1 4.34Å; W651-F670 HydrophobicContact CZ3-CB 4.48Å |
| 652 | N | 89.1 | Confident | 89.2 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -55.9 | 172.1 | -50.6 | -88.5 | 0 | 0 | 0 | 110.3 | D650 V654 S655 E656 Q663 | D650-N652 PolarHBondContact O-N 3.07Å; D650-N652 WeakPolarHBondContact OD1-CB 3.35Å; D650-N652 PolarHBondContact OD1-N 3.1Å; D650-N652 PolarHBondContact OD1-ND2 3.37Å; N652-V654 VanDerWaalsContact C-N 3.28Å; N652-V654 PolarHBondContact O-N 3.45Å; N652-S655 PolarHBondContact O-N 3.09Å; N652-S655 PolarHBondContact O-OG 3.15Å; N652-E656 WeakPolarHBondContact O-CB 3.49Å; N652-E656 PolarHBondContact O-N 3.3Å; N652-Q663 PolarHBondContact OD1-NE2 2.98Å |
| 653 | K | 90.4 | Very high | 89 | Confident | 90 Ų | 90 | 65 Ų | 65 | 39% | 0.391 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -33.4 | 178.4 | -64.4 | -166.9 | -176.1 | 77.8 | 0 | 112.2 | Y647 D650 E656 H657 | Y647-K653 HydrophobicContact CD1-CB 4.07Å; Y647-K653 HydrophobicContact CD1-CD 3.61Å; Y647-K653 HydrophobicContact CD2-CB 3.68Å; Y647-K653 HydrophobicContact CE1-CB 4.48Å; Y647-K653 HydrophobicContact CE1-CD 3.92Å; Y647-K653 HydrophobicContact CE2-CB 4.14Å; Y647-K653 HydrophobicContact CG-CB 3.64Å; Y647-K653 HydrophobicContact CG-CD 4.05Å; D650-K653 PolarHBondContact O-N 2.92Å; D650-K653 IonicContact OD2-NZ 3.89Å; D650-K653 PolarHBondContact OD2-NZ 3.15Å; K653-E656 PolarHBondContact O-N 3.36Å; K653-H657 VanDerWaalsContact O-CB 3.3Å; K653-H657 WeakPolarHBondContact O-CB 3.35Å; K653-H657 PolarHBondContact O-N 2.71Å |
| 654 | V | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 173.4 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | L640 A643 L644 D650 W651 N652 E656 H657 V658 C666 | L640-V654 HydrophobicContact CD1-CG1 3.44Å; L640-V654 VanDerWaalsContact CD1-CG1 3.44Å; A643-V654 HydrophobicContact CB-CB 4.35Å; A643-V654 HydrophobicContact CB-CG1 4.16Å; A643-V654 HydrophobicContact CB-CG2 4.33Å; L644-V654 HydrophobicContact CD2-CG1 4.49Å; L644-V654 HydrophobicContact CD2-CG2 4.18Å; L644-V654 HydrophobicContact CG-CG1 4.38Å; D650-V654 PolarHBondContact O-N 2.99Å; D650-V654 VanDerWaalsContact O-N 3.1Å; W651-V654 HydrophobicContact CE3-CB 4.25Å; W651-V654 HydrophobicContact CE3-CG1 4.1Å; W651-V654 HydrophobicContact CE3-CG2 4.5Å; W651-V654 HydrophobicContact CZ3-CG1 4.25Å; N652-V654 VanDerWaalsContact C-N 3.28Å; N652-V654 PolarHBondContact O-N 3.45Å; V654-E656 PolarHBondContact O-N 3.35Å; V654-H657 PolarHBondContact O-N 2.85Å; V654-V658 WeakPolarHBondContact O-CG2 3.42Å; V654-V658 PolarHBondContact O-N 2.97Å; V654-C666 HydrophobicContact CG1-CB 4.16Å |
| 655 | S | 90.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.3 | -35.4 | 175.9 | 68.7 | 0 | 0 | 0 | 0 | 113.5 | W651 N652 G659 Q663 | W651-S655 WeakPolarHBondContact O-CB 3.5Å; W651-S655 PolarHBondContact O-N 3.25Å; W651-S655 PolarHBondContact O-OG 2.79Å; N652-S655 PolarHBondContact O-N 3.09Å; N652-S655 PolarHBondContact O-OG 3.15Å; S655-G659 PolarHBondContact O-N 3.28Å; S655-Q663 VanDerWaalsContact OG-CG 3.29Å; S655-Q663 WeakPolarHBondContact OG-CG 3.49Å |
| 656 | E | 90.5 | Very high | 88.3 | Confident | 155 Ų | 155 | 62.3 Ų | 62.3 | 72% | 0.724 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.5 | -41 | 177 | -172.5 | 176.6 | -166.9 | 0 | 0 | 111.9 | N652 K653 V654 G659 | N652-E656 WeakPolarHBondContact O-CB 3.49Å; N652-E656 PolarHBondContact O-N 3.3Å; K653-E656 PolarHBondContact O-N 3.36Å; V654-E656 PolarHBondContact O-N 3.35Å; E656-G659 PolarHBondContact O-N 3.44Å |
| 657 | H | 90.3 | Very high | 88.4 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.4 | -35.6 | 177.9 | -173 | 116.1 | 0 | 0 | 0 | 112.6 | L639 E642 A643 Y647 K653 V654 G659 | L639-H657 PolarHBondContact O-CD2 3.32Å; E642-H657 IonicContact OE1-CE1 2.58Å; A643-H657 HydrophobicContact CB-CB 3.74Å; Y647-H657 HydrophobicContact CE2-CB 3.96Å; Y647-H657 AromaticContact CE2-ND1 3.76Å; K653-H657 VanDerWaalsContact O-CB 3.3Å; K653-H657 WeakPolarHBondContact O-CB 3.35Å; K653-H657 PolarHBondContact O-N 2.71Å; V654-H657 PolarHBondContact O-N 2.85Å; H657-G659 VanDerWaalsContact C-N 3.32Å |
| 658 | V | 90.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.3 | -31.2 | 170.5 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | W632 L639 L640 V654 S660 R661 | W632-V658 HydrophobicContact CH2-CG1 4.27Å; W632-V658 HydrophobicContact CZ3-CG1 4.25Å; L639-V658 HydrophobicContact CB-CG2 4.3Å; L640-V658 HydrophobicContact CB-CG2 3.94Å; L640-V658 HydrophobicContact CD1-CG2 4.35Å; V654-V658 WeakPolarHBondContact O-CG2 3.42Å; V654-V658 PolarHBondContact O-N 2.97Å; V658-S660 PolarHBondContact O-N 2.88Å; V658-S660 PolarHBondContact O-OG 3.42Å; V658-R661 HydrophobicContact CG1-CB 3.77Å; V658-R661 HydrophobicContact CG1-CG 3.68Å |
| 659 | G | 84.3 | Confident | 88 | Confident | 66 Ų | 66 | 54.8 Ų | 54.8 | 68% | 0.68 | 30% | 0.296 | S | S | * | . | trans | 66.3 | -17.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S655 E656 H657 | S655-G659 PolarHBondContact O-N 3.28Å; E656-G659 PolarHBondContact O-N 3.44Å; H657-G659 VanDerWaalsContact C-N 3.32Å | ||
| 660 | S | 85.3 | Confident | 88.2 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 49% | 0.49 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -115.9 | -3.2 | -170.6 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | E636 V658 | E636-S660 PolarHBondContact OE1-OG 3.16Å; V658-S660 PolarHBondContact O-N 2.88Å; V658-S660 PolarHBondContact O-OG 3.42Å |
| 661 | R | 85.6 | Confident | 88.1 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -137.4 | 146.8 | -169.8 | -61.8 | -65 | 173.7 | 153.6 | 6.7 | 111.8 | R630 E631 W632 E636 V658 E665 | R630-R661 VanDerWaalsContact O-CZ 3.28Å; R630-R661 PolarHBondContact O-NH1 3.4Å; R630-R661 PolarHBondContact O-NH2 2.78Å; E631-R661 PolarHBondContact O-NH2 2.81Å; W632-R661 HydrophobicContact CH2-CB 4.07Å; W632-R661 HydrophobicContact CH2-CG 3.69Å; W632-R661 HydrophobicContact CZ2-CB 4.09Å; W632-R661 HydrophobicContact CZ2-CG 3.7Å; W632-R661 HydrophobicContact CZ3-CG 4.19Å; E636-R661 IonicContact OE1-CZ 2.58Å; E636-R661 VanDerWaalsContact OE1-CZ 3.23Å; E636-R661 IonicContact OE1-NE 2.78Å; E636-R661 PolarHBondContact OE1-NE 2.86Å; E636-R661 IonicContact OE1-NH2 2.66Å; E636-R661 PolarHBondContact OE1-NH2 3.46Å; E636-R661 IonicContact OE2-NH2 3.24Å; E636-R661 PolarHBondContact OE2-NH2 3.24Å; V658-R661 HydrophobicContact CG1-CB 3.77Å; V658-R661 HydrophobicContact CG1-CG 3.68Å; R661-E665 HydrophobicContact CB-CB 4.25Å; R661-E665 VanDerWaalsContact CD-OE1 3.26Å; R661-E665 WeakPolarHBondContact CD-OE1 3.4Å; R661-E665 IonicContact CZ-OE1 3.08Å; R661-E665 IonicContact NE-OE1 2.67Å; R661-E665 IonicContact NH1-OE1 2.7Å; R661-E665 PolarHBondContact NH1-OE1 3.26Å |
| 662 | T | 88 | Confident | 87.8 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | trans | -74.7 | 162.9 | 172.8 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | D664 E665 C666 | T662-D664 VanDerWaalsContact C-N 3.33Å; T662-D664 PolarHBondContact O-N 3.37Å; T662-E665 PolarHBondContact N-OE2 2.89Å; T662-E665 PolarHBondContact O-N 3.07Å; T662-E665 VanDerWaalsContact OG1-CG 3.31Å; T662-E665 WeakPolarHBondContact OG1-CG 3.47Å; T662-E665 PolarHBondContact OG1-N 2.88Å; T662-E665 PolarHBondContact OG1-OE2 2.89Å; T662-C666 PolarHBondContact O-N 3.31Å; T662-C666 PolarHBondContact O-SG 2.95Å | ||
| 663 | Q | 87.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 19% | 0.187 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 178.2 | -59.7 | -177.4 | 13.6 | 0 | 0 | 111.4 | N652 S655 E665 C666 I667 | N652-Q663 PolarHBondContact OD1-NE2 2.98Å; S655-Q663 VanDerWaalsContact OG-CG 3.29Å; S655-Q663 WeakPolarHBondContact OG-CG 3.49Å; Q663-E665 VanDerWaalsContact C-N 3.35Å; Q663-E665 PolarHBondContact O-N 3.09Å; Q663-C666 WeakPolarHBondContact O-CB 3.49Å; Q663-C666 PolarHBondContact O-N 3.47Å; Q663-C666 VanDerWaalsContact O-N 3.17Å; Q663-I667 VanDerWaalsContact O-CG1 3.3Å; Q663-I667 WeakPolarHBondContact O-CG1 3.5Å; Q663-I667 PolarHBondContact O-N 3.01Å |
| 664 | D | 83.2 | Confident | 87.1 | Confident | 98 Ų | 98 | 58 Ų | 58 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 178.2 | -60.4 | -52 | 0 | 0 | 0 | 112.5 | T662 L668 | T662-D664 VanDerWaalsContact C-N 3.33Å; T662-D664 PolarHBondContact O-N 3.37Å; D664-L668 WeakPolarHBondContact O-CB 3.49Å; D664-L668 WeakPolarHBondContact O-CD1 3.44Å; D664-L668 WeakPolarHBondContact O-CG 3.49Å; D664-L668 PolarHBondContact O-N 3.02Å |
| 665 | E | 85.7 | Confident | 86.7 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 173.2 | -75.7 | 172.8 | 100.2 | 0 | 0 | 111.9 | T629 W632 R661 T662 Q663 L668 H669 | T629-E665 WeakPolarHBondContact CB-OE1 3.32Å; T629-E665 PolarHBondContact OG1-OE1 3.27Å; W632-E665 HydrophobicContact CZ2-CB 4.1Å; W632-E665 WeakPolarHBondContact CZ2-O 3.44Å; R661-E665 HydrophobicContact CB-CB 4.25Å; R661-E665 VanDerWaalsContact CD-OE1 3.26Å; R661-E665 WeakPolarHBondContact CD-OE1 3.4Å; R661-E665 IonicContact CZ-OE1 3.08Å; R661-E665 IonicContact NE-OE1 2.67Å; R661-E665 IonicContact NH1-OE1 2.7Å; R661-E665 PolarHBondContact NH1-OE1 3.26Å; T662-E665 PolarHBondContact N-OE2 2.89Å; T662-E665 PolarHBondContact O-N 3.07Å; T662-E665 VanDerWaalsContact OG1-CG 3.31Å; T662-E665 WeakPolarHBondContact OG1-CG 3.47Å; T662-E665 PolarHBondContact OG1-N 2.88Å; T662-E665 PolarHBondContact OG1-OE2 2.89Å; Q663-E665 VanDerWaalsContact C-N 3.35Å; Q663-E665 PolarHBondContact O-N 3.09Å; E665-L668 PolarHBondContact O-N 3.16Å; E665-H669 WeakPolarHBondContact O-CB 3.26Å; E665-H669 PolarHBondContact O-N 2.86Å |
| 666 | C | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 178.7 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | L640 W651 V654 T662 Q663 H669 F670 | L640-C666 HydrophobicContact CD1-CB 3.74Å; W651-C666 HydrophobicContact CE3-CB 4.21Å; W651-C666 HydrophobicContact CZ3-CB 4.25Å; V654-C666 HydrophobicContact CG1-CB 4.16Å; T662-C666 PolarHBondContact O-N 3.31Å; T662-C666 PolarHBondContact O-SG 2.95Å; Q663-C666 WeakPolarHBondContact O-CB 3.49Å; Q663-C666 PolarHBondContact O-N 3.47Å; Q663-C666 VanDerWaalsContact O-N 3.17Å; C666-H669 PolarHBondContact O-N 2.84Å; C666-F670 WeakPolarHBondContact O-CB 3.34Å; C666-F670 PolarHBondContact O-N 2.65Å |
| 667 | I | 89.4 | Confident | 85.4 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 174.8 | -65.2 | 161.8 | 0 | 0 | 0 | 110.5 | W651 Q663 H669 F670 L671 | W651-I667 HydrophobicContact CB-CD1 4.37Å; W651-I667 HydrophobicContact CD2-CD1 3.99Å; W651-I667 HydrophobicContact CD2-CG1 3.34Å; W651-I667 HydrophobicContact CE3-CB 4.44Å; W651-I667 HydrophobicContact CE3-CD1 4.39Å; W651-I667 HydrophobicContact CE3-CG1 3.39Å; W651-I667 HydrophobicContact CG-CD1 3.93Å; W651-I667 HydrophobicContact CG-CG1 3.85Å; W651-I667 HydrophobicContact CH2-CG1 4.06Å; W651-I667 HydrophobicContact CZ2-CG1 4.04Å; W651-I667 HydrophobicContact CZ3-CB 4.37Å; W651-I667 HydrophobicContact CZ3-CG1 3.75Å; Q663-I667 VanDerWaalsContact O-CG1 3.3Å; Q663-I667 WeakPolarHBondContact O-CG1 3.5Å; Q663-I667 PolarHBondContact O-N 3.01Å; I667-H669 VanDerWaalsContact C-N 3.29Å; I667-H669 PolarHBondContact O-N 2.99Å; I667-F670 PolarHBondContact O-N 2.84Å; I667-L671 HydrophobicContact CG2-CD1 3.78Å; I667-L671 HydrophobicContact CG2-CG 4.41Å; I667-L671 WeakPolarHBondContact O-CB 3.46Å; I667-L671 VanDerWaalsContact O-CG 3.31Å; I667-L671 WeakPolarHBondContact O-CG 3.31Å; I667-L671 PolarHBondContact O-N 3.21Å |
| 668 | L | 85.1 | Confident | 84.8 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.9 | -18.5 | -176.5 | -72.2 | 173.1 | 0 | 0 | 0 | 114.1 | D664 E665 R672 | D664-L668 WeakPolarHBondContact O-CB 3.49Å; D664-L668 WeakPolarHBondContact O-CD1 3.44Å; D664-L668 WeakPolarHBondContact O-CG 3.49Å; D664-L668 PolarHBondContact O-N 3.02Å; E665-L668 PolarHBondContact O-N 3.16Å; L668-R672 WeakPolarHBondContact O-CD 3.3Å; L668-R672 VanDerWaalsContact O-CG 3.23Å; L668-R672 WeakPolarHBondContact O-CG 3.23Å; L668-R672 PolarHBondContact O-NE 3.3Å; L668-R672 PolarHBondContact O-NH1 2.96Å |
| 669 | H | 86.4 | Confident | 84 | Confident | 35 Ų | 35 | 75.2 Ų | 75.2 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -84.6 | -47 | 170.7 | -167.1 | 53 | 0 | 0 | 0 | 110.6 | W632 T637 L640 E665 C666 I667 L671 R672 L673 | W632-H669 AromaticContact CD1-CG 3.97Å; W632-H669 AromaticContact CD1-ND1 3.82Å; W632-H669 HydrophobicContact CD2-CB 4.04Å; W632-H669 AromaticContact CD2-CD2 3.27Å; W632-H669 AromaticContact CD2-CG 3.53Å; W632-H669 AromaticContact CD2-NE2 3.6Å; W632-H669 AromaticContact CE2-CD2 3.71Å; W632-H669 AromaticContact CE2-CG 3.57Å; W632-H669 AromaticContact CE3-CD2 3.23Å; W632-H669 AromaticContact CE3-CG 3.96Å; W632-H669 AromaticContact CE3-NE2 3.61Å; W632-H669 AromaticContact CG-CD2 3.76Å; W632-H669 AromaticContact CG-CE1 3.66Å; W632-H669 AromaticContact CG-CG 3.81Å; W632-H669 AromaticContact CG-ND1 3.75Å; W632-H669 AromaticContact CG-NE2 3.66Å; W632-H669 HydrophobicContact CH2-CB 4.14Å; W632-H669 HydrophobicContact CZ2-CB 3.58Å; W632-H669 AromaticContact CZ3-CD2 3.65Å; W632-H669 AromaticContact NE1-CG 3.84Å; T637-H669 PolarHBondContact OG1-NE2 3.29Å; L640-H669 HydrophobicContact CD2-CB 4.1Å; E665-H669 WeakPolarHBondContact O-CB 3.26Å; E665-H669 PolarHBondContact O-N 2.86Å; C666-H669 PolarHBondContact O-N 2.84Å; I667-H669 VanDerWaalsContact C-N 3.29Å; I667-H669 PolarHBondContact O-N 2.99Å; H669-L671 PolarHBondContact O-N 3.14Å; H669-R672 CarbonylContact O-C 3.51Å; H669-R672 WeakPolarHBondContact O-CA 3.36Å; H669-R672 PolarHBondContact O-N 2.96Å; H669-L673 PolarHBondContact O-N 3.26Å |
| 670 | F | 89.7 | Confident | 83.3 | Confident | 70 Ų | 70 | 76 Ų | 76 | 31% | 0.307 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.9 | -47.7 | 176.3 | 176 | -115.4 | 0 | 0 | 0 | 112.6 | L640 L644 W651 C666 I667 R672 L673 I675 | L640-F670 HydrophobicContact CD2-CB 4.38Å; L644-F670 HydrophobicContact CD1-CB 4.18Å; L644-F670 HydrophobicContact CD1-CD2 3.34Å; L644-F670 HydrophobicContact CD1-CE2 3.8Å; L644-F670 HydrophobicContact CD1-CG 3.78Å; W651-F670 HydrophobicContact CH2-CB 4.1Å; W651-F670 AromaticContact CH2-CD1 3.73Å; W651-F670 HydrophobicContact CH2-CD1 3.73Å; W651-F670 HydrophobicContact CH2-CE1 4.5Å; W651-F670 HydrophobicContact CH2-CG 4.12Å; W651-F670 HydrophobicContact CZ2-CD1 4.34Å; W651-F670 HydrophobicContact CZ3-CB 4.48Å; C666-F670 WeakPolarHBondContact O-CB 3.34Å; C666-F670 PolarHBondContact O-N 2.65Å; I667-F670 PolarHBondContact O-N 2.84Å; F670-R672 PolarHBondContact O-N 3.4Å; F670-L673 HydrophobicContact CD2-CD1 4.25Å; F670-L673 PolarHBondContact O-N 3.33Å; F670-I675 HydrophobicContact CE2-CD1 4.42Å |
| 671 | L | 87.9 | Confident | 82.3 | Confident | 128 Ų | 128 | 79.1 Ų | 79.1 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 1.5 | 176.9 | -67.1 | 175.7 | 0 | 0 | 0 | 114.6 | I667 H669 | I667-L671 HydrophobicContact CG2-CD1 3.78Å; I667-L671 HydrophobicContact CG2-CG 4.41Å; I667-L671 WeakPolarHBondContact O-CB 3.46Å; I667-L671 VanDerWaalsContact O-CG 3.31Å; I667-L671 WeakPolarHBondContact O-CG 3.31Å; I667-L671 PolarHBondContact O-N 3.21Å; H669-L671 PolarHBondContact O-N 3.14Å |
| 672 | R | 83.8 | Confident | 81 | Confident | 172 Ų | 172 | 85.3 Ų | 85.3 | 65% | 0.649 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 7.3 | 178.2 | -63.4 | -179.5 | -170.1 | 133.3 | -3.3 | 113.1 | L668 H669 F670 P674 | L668-R672 WeakPolarHBondContact O-CD 3.3Å; L668-R672 VanDerWaalsContact O-CG 3.23Å; L668-R672 WeakPolarHBondContact O-CG 3.23Å; L668-R672 PolarHBondContact O-NE 3.3Å; L668-R672 PolarHBondContact O-NH1 2.96Å; H669-R672 CarbonylContact O-C 3.51Å; H669-R672 WeakPolarHBondContact O-CA 3.36Å; H669-R672 PolarHBondContact O-N 2.96Å; F670-R672 PolarHBondContact O-N 3.4Å; R672-P674 WeakPolarHBondContact O-CD 3.21Å |
| 673 | L | 85.9 | Confident | 79.4 | Confident | 35 Ų | 35 | 85.9 Ų | 85.9 | 18% | 0.183 | 43% | 0.426 | C | S | . | . | trans | -72.7 | 124.2 | 172 | -63.5 | -178.7 | 0 | 0 | 0 | 108.6 | T637 L641 H669 F670 I675 | T637-L673 HydrophobicContact CG2-CD2 3.99Å; L641-L673 HydrophobicContact CD2-CD1 3.85Å; L641-L673 HydrophobicContact CG-CD1 4.41Å; H669-L673 PolarHBondContact O-N 3.26Å; F670-L673 HydrophobicContact CD2-CD1 4.25Å; F670-L673 PolarHBondContact O-N 3.33Å; L673-I675 HydrophobicContact CB-CD1 4.05Å; L673-I675 HydrophobicContact CB-CG1 3.87Å; L673-I675 PolarHBondContact O-N 3.16Å | ||
| 674 | P | 79.6 | Confident | 77.8 | Confident | 79 Ų | 79 | 91.7 Ų | 91.7 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | trans | -76 | 73.9 | 179.2 | 31.9 | -35.4 | 0 | 0 | 0 | 109.9 | R672 D677 P678 | R672-P674 WeakPolarHBondContact O-CD 3.21Å; P674-D677 HydrophobicContact CB-CB 4Å; P674-D677 WeakPolarHBondContact CB-OD2 3.19Å; P674-P678 WeakPolarHBondContact O-CD 3.46Å | ||
| 675 | I | 81.6 | Confident | 76.6 | Confident | 108 Ų | 108 | 91.9 Ų | 91.9 | 55% | 0.554 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -81.3 | -40.1 | -176.6 | -62.2 | 168 | 0 | 0 | 0 | 110.5 | F670 L673 | F670-I675 HydrophobicContact CE2-CD1 4.42Å; L673-I675 HydrophobicContact CB-CD1 4.05Å; L673-I675 HydrophobicContact CB-CG1 3.87Å; L673-I675 PolarHBondContact O-N 3.16Å |
| 676 | E | 78.3 | Confident | 75.3 | Confident | 134 Ų | 134 | 94.6 Ų | 94.6 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -104.4 | -23.6 | 179.8 | 61 | -175.3 | 174.9 | 0 | 0 | 113.8 | P678 Y679 L680 | E676-P678 VanDerWaalsContact C-CD 3.44Å; E676-P678 VanDerWaalsContact C-N 3.34Å; E676-Y679 WeakPolarHBondContact O-CA 3.41Å; E676-Y679 WeakPolarHBondContact O-CB 3.43Å; E676-Y679 PolarHBondContact O-N 3.04Å; E676-L680 HydrophobicContact CB-CD1 4.3Å; E676-L680 HydrophobicContact CG-CD1 3.98Å; E676-L680 WeakPolarHBondContact O-CG 3.38Å; E676-L680 PolarHBondContact O-N 2.99Å |
| 677 | D | 75.6 | Confident | 74.3 | Confident | 85 Ų | 85 | 97.5 Ų | 97.5 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -48.5 | -43.9 | -179.7 | -46.4 | -0.1 | 0 | 0 | 0 | 113.7 | P674 Y679 L680 E681 | P674-D677 HydrophobicContact CB-CB 4Å; P674-D677 WeakPolarHBondContact CB-OD2 3.19Å; D677-Y679 PolarHBondContact O-N 3.46Å; D677-L680 PolarHBondContact O-N 3.39Å; D677-E681 WeakPolarHBondContact O-CG 3.48Å; D677-E681 PolarHBondContact O-N 2.9Å |
| 678 | P | 77.8 | Confident | 73.6 | Confident | 66 Ų | 66 | 96.3 Ų | 96.3 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -66 | -9.1 | 177.9 | -22.1 | 36 | 0 | 0 | 0 | 115.5 | P674 E676 E681 | P674-P678 WeakPolarHBondContact O-CD 3.46Å; E676-P678 VanDerWaalsContact C-CD 3.44Å; E676-P678 VanDerWaalsContact C-N 3.34Å; P678-E681 WeakPolarHBondContact CA-OE1 3.19Å |
| 679 | Y | 74.5 | Confident | 73 | Confident | 189 Ų | 189 | 93.3 Ų | 93.3 | 74% | 0.741 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -104.7 | -4 | 173.8 | -54.3 | -86.5 | 0 | 0 | 0 | 112.2 | E676 D677 | E676-Y679 WeakPolarHBondContact O-CA 3.41Å; E676-Y679 WeakPolarHBondContact O-CB 3.43Å; E676-Y679 PolarHBondContact O-N 3.04Å; D677-Y679 PolarHBondContact O-N 3.46Å |
| 680 | L | 69.8 | Low | 72.4 | Confident | 84 Ų | 84 | 96.3 Ų | 96.3 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -28 | -178.2 | -61.6 | 175.5 | 0 | 0 | 0 | 112.6 | E676 D677 D682 S683 E684 | E676-L680 HydrophobicContact CB-CD1 4.3Å; E676-L680 HydrophobicContact CG-CD1 3.98Å; E676-L680 WeakPolarHBondContact O-CG 3.38Å; E676-L680 PolarHBondContact O-N 2.99Å; D677-L680 PolarHBondContact O-N 3.39Å; L680-D682 PolarHBondContact O-N 3.38Å; L680-S683 CarbonylContact O-C 3.55Å; L680-S683 WeakPolarHBondContact O-CA 3.48Å; L680-S683 VanDerWaalsContact O-CB 3.3Å; L680-S683 WeakPolarHBondContact O-CB 3.46Å; L680-S683 PolarHBondContact O-N 2.87Å; L680-E684 PolarHBondContact O-N 3.29Å |
| 681 | E | 62.8 | Low | 71.7 | Confident | 134 Ų | 134 | 95.8 Ų | 95.8 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -27.9 | -175.4 | 63.8 | -171.9 | 145.6 | 0 | 0 | 114.1 | D677 P678 S683 | D677-E681 WeakPolarHBondContact O-CG 3.48Å; D677-E681 PolarHBondContact O-N 2.9Å; P678-E681 WeakPolarHBondContact CA-OE1 3.19Å; E681-S683 PolarHBondContact O-N 3.06Å |
| 682 | D | 58.6 | Low | 71.1 | Confident | 147 Ų | 147 | 97.9 Ų | 97.9 | 79% | 0.786 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17 | 164.8 | -90.6 | -20 | 0 | 0 | 0 | 113.1 | L680 | L680-D682 PolarHBondContact O-N 3.38Š|
| 683 | S | 55 | Low | 70.9 | Confident | 39 Ų | 39 | 95.8 Ų | 95.8 | 27% | 0.273 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -20.6 | -170.4 | -71 | 0 | 0 | 0 | 0 | 115 | L680 E681 A685 S686 L687 | L680-S683 CarbonylContact O-C 3.55Å; L680-S683 WeakPolarHBondContact O-CA 3.48Å; L680-S683 VanDerWaalsContact O-CB 3.3Å; L680-S683 WeakPolarHBondContact O-CB 3.46Å; L680-S683 PolarHBondContact O-N 2.87Å; E681-S683 PolarHBondContact O-N 3.06Å; S683-A685 PolarHBondContact O-N 3.38Å; S683-A685 VanDerWaalsContact O-N 3.14Å; S683-S686 PolarHBondContact O-N 3.42Å; S683-S686 PolarHBondContact O-OG 2.89Å; S683-L687 WeakPolarHBondContact O-CB 3.16Å; S683-L687 WeakPolarHBondContact O-CD1 3.33Å; S683-L687 VanDerWaalsContact O-CG 3.23Å; S683-L687 WeakPolarHBondContact O-CG 3.42Å; S683-L687 PolarHBondContact O-N 2.71Å |
| 684 | E | 54.6 | Low | 70.3 | Confident | 162 Ų | 162 | 99.5 Ų | 99.5 | 76% | 0.757 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -38.1 | -177 | -71.8 | -152.3 | 127.8 | 0 | 0 | 113.5 | L680 | L680-E684 PolarHBondContact O-N 3.29Š|
| 685 | A | 56.5 | Low | 69.9 | Low | 103 Ų | 103 | 98.5 Ų | 98.5 | 85% | 0.851 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -17.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S683 | S683-A685 PolarHBondContact O-N 3.38Å; S683-A685 VanDerWaalsContact O-N 3.14Å |
| 686 | S | 58.9 | Low | 69.3 | Low | 86 Ų | 86 | 98.8 Ų | 98.8 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -17.7 | -173.8 | 70.3 | 0 | 0 | 0 | 0 | 114.5 | S683 G688 | S683-S686 PolarHBondContact O-N 3.42Å; S683-S686 PolarHBondContact O-OG 2.89Å; S686-G688 PolarHBondContact O-N 3.05Å |
| 687 | L | 67.8 | Low | 69 | Low | 61 Ų | 61 | 95.2 Ų | 95.2 | 32% | 0.319 | 52% | 0.521 | S | S | . | . | trans | -59.5 | -31.9 | 177.4 | -81.3 | 162 | 0 | 0 | 0 | 112.8 | S683 P689 L690 A691 | S683-L687 WeakPolarHBondContact O-CB 3.16Å; S683-L687 WeakPolarHBondContact O-CD1 3.33Å; S683-L687 VanDerWaalsContact O-CG 3.23Å; S683-L687 WeakPolarHBondContact O-CG 3.42Å; S683-L687 PolarHBondContact O-N 2.71Å; L687-P689 VanDerWaalsContact O-N 3.16Å; L687-L690 HydrophobicContact CB-CB 4.38Å; L687-L690 HydrophobicContact CD2-CB 3.89Å; L687-L690 HydrophobicContact CD2-CD1 4.34Å; L687-L690 VanDerWaalsContact O-CB 3.25Å; L687-L690 WeakPolarHBondContact O-CB 3.43Å; L687-L690 PolarHBondContact O-N 3.34Å; L687-A691 HydrophobicContact CB-CB 4.19Å | ||
| 688 | G | 74.9 | Confident | 68.7 | Low | 23 Ų | 23 | 94.1 Ų | 94.1 | 24% | 0.237 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | 51.9 | -119.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S686 L690 A691 | S686-G688 PolarHBondContact O-N 3.05Å; G688-L690 PolarHBondContact O-N 3.09Å; G688-A691 WeakPolarHBondContact O-CB 3.33Å; G688-A691 PolarHBondContact O-N 2.95Å |
| 689 | P | 73.5 | Confident | 68.3 | Low | 20 Ų | 20 | 98.6 Ų | 98.6 | 13% | 0.13 | 54% | 0.536 | C | S | . | . | G | 310 helix | trans | -65.1 | -16.3 | 177.7 | -19.2 | 31.4 | 0 | 0 | 0 | 115.3 | L687 A691 F697 A709 S713 | L687-P689 VanDerWaalsContact O-N 3.16Å; P689-A691 VanDerWaalsContact C-N 3.31Å; P689-F697 HydrophobicContact CB-CE1 4.04Å; P689-F697 HydrophobicContact CB-CZ 3.61Å; P689-F697 HydrophobicContact CG-CZ 4.31Å; P689-A709 HydrophobicContact CB-CB 4.36Å; P689-A709 HydrophobicContact CG-CB 3.83Å; P689-A709 WeakPolarHBondContact CG-O 3.4Å; P689-S713 WeakPolarHBondContact CD-OG 3.47Å |
| 690 | L | 74.2 | Confident | 68 | Low | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -75.4 | -19.9 | 178.1 | -57.7 | 179.6 | 0 | 0 | 0 | 112.8 | L687 G688 Y692 Q693 I695 | L687-L690 HydrophobicContact CB-CB 4.38Å; L687-L690 HydrophobicContact CD2-CB 3.89Å; L687-L690 HydrophobicContact CD2-CD1 4.34Å; L687-L690 VanDerWaalsContact O-CB 3.25Å; L687-L690 WeakPolarHBondContact O-CB 3.43Å; L687-L690 PolarHBondContact O-N 3.34Å; G688-L690 PolarHBondContact O-N 3.09Å; L690-Y692 PolarHBondContact O-N 3.14Å; L690-Q693 PolarHBondContact O-NE2 3.04Å; L690-I695 HydrophobicContact CD2-CD1 3.69Å |
| 691 | A | 74.1 | Confident | 68.3 | Low | 59 Ų | 59 | 94 Ų | 94 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -65.1 | -20.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L687 G688 P689 | L687-A691 HydrophobicContact CB-CB 4.19Å; G688-A691 WeakPolarHBondContact O-CB 3.33Å; G688-A691 PolarHBondContact O-N 2.95Å; P689-A691 VanDerWaalsContact C-N 3.31Å |
| 692 | Y | 75.8 | Confident | 69 | Low | 172 Ų | 172 | 90.9 Ų | 90.9 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -104.5 | 77.5 | -178.7 | -56 | -74.9 | 0 | 0 | 0 | 110.7 | L690 P694 I695 | L690-Y692 PolarHBondContact O-N 3.14Å; Y692-P694 CarbonylContact O-C 3.3Å; Y692-P694 VanDerWaalsContact O-C 3.25Å; Y692-I695 WeakPolarHBondContact O-CA 3.17Å; Y692-I695 PolarHBondContact O-N 3.04Å |
| 693 | Q | 78.6 | Confident | 70.2 | Confident | 128 Ų | 128 | 87.3 Ų | 87.3 | 60% | 0.598 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -87 | 134.1 | 170.8 | -61.7 | -55.3 | -36.5 | 0 | 0 | 110.8 | L690 | L690-Q693 PolarHBondContact O-NE2 3.04Š|
| 694 | P | 73 | Confident | 71.6 | Confident | 112 Ų | 112 | 90.5 Ų | 90.5 | 73% | 0.727 | 54% | 0.538 | S | S | * | . | S | Bend | cis | -78 | 136.5 | -2.7 | 31.7 | -34.3 | 0 | 0 | 0 | 112.7 | Y692 | Y692-P694 CarbonylContact O-C 3.3Å; Y692-P694 VanDerWaalsContact O-C 3.25Å |
| 695 | I | 72.8 | Confident | 72.9 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 30% | 0.297 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 122.8 | -176 | -51.8 | 177.2 | 0 | 0 | 0 | 110.8 | L690 Y692 F697 | L690-I695 HydrophobicContact CD2-CD1 3.69Å; Y692-I695 WeakPolarHBondContact O-CA 3.17Å; Y692-I695 PolarHBondContact O-N 3.04Å; I695-F697 HydrophobicContact CG2-CD1 3.92Å; I695-F697 HydrophobicContact CG2-CD2 3.75Å; I695-F697 HydrophobicContact CG2-CE1 3.71Å; I695-F697 HydrophobicContact CG2-CE2 3.54Å; I695-F697 HydrophobicContact CG2-CG 3.95Å; I695-F697 HydrophobicContact CG2-CZ 3.53Å; I695-F697 PolarHBondContact O-N 3.37Å; I695-F697 VanDerWaalsContact O-N 3.08Å |
| 696 | P | 67.3 | Low | 74.1 | Confident | 115 Ų | 115 | 83.4 Ų | 83.4 | 75% | 0.747 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -77.7 | 7.4 | -172 | 31.2 | -37.1 | 0 | 0 | 0 | 114.7 | ||
| 697 | F | 71.9 | Confident | 75.3 | Confident | 59 Ų | 59 | 83 Ų | 83 | 26% | 0.259 | 48% | 0.484 | S | S | . | . | trans | -133.6 | 147 | 179 | 55.5 | -105.3 | 0 | 0 | 0 | 111.5 | P689 I695 S706 A709 | P689-F697 HydrophobicContact CB-CE1 4.04Å; P689-F697 HydrophobicContact CB-CZ 3.61Å; P689-F697 HydrophobicContact CG-CZ 4.31Å; I695-F697 HydrophobicContact CG2-CD1 3.92Å; I695-F697 HydrophobicContact CG2-CD2 3.75Å; I695-F697 HydrophobicContact CG2-CE1 3.71Å; I695-F697 HydrophobicContact CG2-CE2 3.54Å; I695-F697 HydrophobicContact CG2-CG 3.95Å; I695-F697 HydrophobicContact CG2-CZ 3.53Å; I695-F697 PolarHBondContact O-N 3.37Å; I695-F697 VanDerWaalsContact O-N 3.08Å; F697-S706 VanDerWaalsContact CD2-CB 3.41Å; F697-A709 HydrophobicContact CD1-CB 4.48Å; F697-A709 HydrophobicContact CE1-CB 3.61Å; F697-A709 HydrophobicContact CZ-CB 3.74Å | ||
| 698 | S | 71 | Confident | 76.2 | Confident | 62 Ų | 62 | 83.4 Ų | 83.4 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | trans | -121.7 | 141 | 173.1 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | S700 G701 N702 | S698-S700 PolarHBondContact O-N 2.97Å; S698-S700 VanDerWaalsContact O-N 3.16Å; S698-G701 PolarHBondContact O-N 3.48Å; S698-G701 PolarHBondContact OG-N 3.17Å; S698-N702 PolarHBondContact O-N 3.39Å | ||
| 699 | Q | 68 | Low | 76.6 | Confident | 160 Ų | 160 | 83.4 Ų | 83.4 | 75% | 0.748 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.4 | 179.7 | -168.9 | -176.6 | 15.6 | 0 | 0 | 112.7 | P703 | Q699-P703 WeakPolarHBondContact O-CB 3.42Å; Q699-P703 WeakPolarHBondContact O-CD 3.26Å |
| 700 | S | 69.6 | Low | 77 | Confident | 114 Ų | 114 | 88.6 Ų | 88.6 | 80% | 0.797 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -26.3 | 177 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | S698 | S698-S700 PolarHBondContact O-N 2.97Å; S698-S700 VanDerWaalsContact O-N 3.16Å |
| 701 | G | 74.8 | Confident | 77.6 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 63% | 0.629 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -34.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S698 | S698-G701 PolarHBondContact O-N 3.48Å; S698-G701 PolarHBondContact OG-N 3.17Å |
| 702 | N | 77.9 | Confident | 78.1 | Confident | 70 Ų | 70 | 88.8 Ų | 88.8 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | trans | -151 | 75.2 | 179.9 | -161.6 | -24.9 | 0 | 0 | 0 | 111.7 | S698 V704 M705 S706 | S698-N702 PolarHBondContact O-N 3.39Å; N702-V704 PolarHBondContact O-N 3.31Å; N702-M705 HydrophobicContact CB-CB 4.26Å; N702-M705 VanDerWaalsContact CG-CB 3.49Å; N702-M705 WeakPolarHBondContact ND2-CG 3.28Å; N702-M705 PolarHBondContact O-N 3.16Å; N702-M705 WeakPolarHBondContact OD1-CB 3.05Å; N702-M705 WeakPolarHBondContact OD1-CG 3.48Å; N702-M705 PolarHBondContact OD1-N 3.38Å; N702-S706 PolarHBondContact O-N 2.9Å; N702-S706 PolarHBondContact O-OG 3.03Å | ||
| 703 | P | 84.2 | Confident | 78.4 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -26 | -178.4 | 24.1 | -33.5 | 0 | 0 | 0 | 113.2 | Q699 S706 T707 | Q699-P703 WeakPolarHBondContact O-CB 3.42Å; Q699-P703 WeakPolarHBondContact O-CD 3.26Å; P703-S706 WeakPolarHBondContact CA-OG 3.32Å; P703-S706 PolarHBondContact O-OG 3.05Å; P703-S706 VanDerWaalsContact O-OG 3.12Å; P703-T707 WeakPolarHBondContact O-CB 3.4Å; P703-T707 PolarHBondContact O-N 3.19Å; P703-T707 PolarHBondContact O-OG1 2.96Å |
| 704 | V | 84.3 | Confident | 78.7 | Confident | 107 Ų | 107 | 81.9 Ų | 81.9 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.2 | -50.2 | 176.8 | -178 | 0 | 0 | 0 | 0 | 109.9 | N702 S706 T707 V708 | N702-V704 PolarHBondContact O-N 3.31Å; V704-S706 PolarHBondContact O-N 2.97Å; V704-T707 PolarHBondContact O-N 3.31Å; V704-V708 WeakPolarHBondContact O-CB 3.47Å; V704-V708 PolarHBondContact O-N 3.05Å |
| 705 | M | 80.8 | Confident | 79.4 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 48% | 0.478 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 179.2 | -70.6 | -59.1 | -58.6 | 0 | 0 | 113.1 | N702 T707 V708 A709 | N702-M705 HydrophobicContact CB-CB 4.26Å; N702-M705 VanDerWaalsContact CG-CB 3.49Å; N702-M705 WeakPolarHBondContact ND2-CG 3.28Å; N702-M705 PolarHBondContact O-N 3.16Å; N702-M705 WeakPolarHBondContact OD1-CB 3.05Å; N702-M705 WeakPolarHBondContact OD1-CG 3.48Å; N702-M705 PolarHBondContact OD1-N 3.38Å; M705-T707 VanDerWaalsContact C-N 3.27Å; M705-T707 PolarHBondContact O-N 3.3Å; M705-V708 HydrophobicContact CE-CG1 3.9Å; M705-V708 PolarHBondContact O-N 3.14Å; M705-V708 HydrophobicContact SD-CG1 3.78Å; M705-A709 VanDerWaalsContact O-CB 3.24Å; M705-A709 WeakPolarHBondContact O-CB 3.37Å; M705-A709 PolarHBondContact O-N 2.97Å |
| 706 | S | 82.3 | Confident | 80 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 13% | 0.133 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 174.8 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | F697 N702 P703 V704 | F697-S706 VanDerWaalsContact CD2-CB 3.41Å; N702-S706 PolarHBondContact O-N 2.9Å; N702-S706 PolarHBondContact O-OG 3.03Å; P703-S706 WeakPolarHBondContact CA-OG 3.32Å; P703-S706 PolarHBondContact O-OG 3.05Å; P703-S706 VanDerWaalsContact O-OG 3.12Å; V704-S706 PolarHBondContact O-N 2.97Å |
| 707 | T | 84.9 | Confident | 81 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.5 | -42 | 178.2 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | P703 V704 M705 A709 F710 L711 | P703-T707 WeakPolarHBondContact O-CB 3.4Å; P703-T707 PolarHBondContact O-N 3.19Å; P703-T707 PolarHBondContact O-OG1 2.96Å; V704-T707 PolarHBondContact O-N 3.31Å; M705-T707 VanDerWaalsContact C-N 3.27Å; M705-T707 PolarHBondContact O-N 3.3Å; T707-A709 PolarHBondContact O-N 2.99Å; T707-F710 PolarHBondContact O-N 3.44Å; T707-L711 HydrophobicContact CG2-CD1 3.99Å; T707-L711 HydrophobicContact CG2-CG 4.36Å; T707-L711 WeakPolarHBondContact O-CB 3.45Å; T707-L711 WeakPolarHBondContact O-CG 3.26Å; T707-L711 PolarHBondContact O-N 2.91Å |
| 708 | V | 86.1 | Confident | 81.8 | Confident | 69 Ų | 69 | 86.6 Ų | 86.6 | 42% | 0.418 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.3 | -33.1 | -179.7 | 91.8 | 0 | 0 | 0 | 0 | 112.1 | V704 M705 L711 A712 | V704-V708 WeakPolarHBondContact O-CB 3.47Å; V704-V708 PolarHBondContact O-N 3.05Å; M705-V708 HydrophobicContact CE-CG1 3.9Å; M705-V708 PolarHBondContact O-N 3.14Å; M705-V708 HydrophobicContact SD-CG1 3.78Å; V708-L711 PolarHBondContact O-N 3.4Å; V708-A712 WeakPolarHBondContact O-CB 3.21Å; V708-A712 PolarHBondContact O-N 3.34Å |
| 709 | A | 82.7 | Confident | 82.9 | Confident | 23 Ų | 23 | 88.1 Ų | 88.1 | 19% | 0.19 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P689 F697 M705 T707 S713 | P689-A709 HydrophobicContact CB-CB 4.36Å; P689-A709 HydrophobicContact CG-CB 3.83Å; P689-A709 WeakPolarHBondContact CG-O 3.4Å; F697-A709 HydrophobicContact CD1-CB 4.48Å; F697-A709 HydrophobicContact CE1-CB 3.61Å; F697-A709 HydrophobicContact CZ-CB 3.74Å; M705-A709 VanDerWaalsContact O-CB 3.24Å; M705-A709 WeakPolarHBondContact O-CB 3.37Å; M705-A709 PolarHBondContact O-N 2.97Å; T707-A709 PolarHBondContact O-N 2.99Å; A709-S713 PolarHBondContact O-N 3.43Å; A709-S713 PolarHBondContact O-OG 3.42Å |
| 710 | F | 82.9 | Confident | 84 | Confident | 129 Ų | 129 | 82.6 Ų | 82.6 | 57% | 0.566 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.4 | -46.7 | 174.9 | -176.5 | -96.2 | 0 | 0 | 0 | 112.1 | T707 A712 S713 V714 | T707-F710 PolarHBondContact O-N 3.44Å; F710-A712 VanDerWaalsContact C-N 3.31Å; F710-A712 PolarHBondContact O-N 3.21Å; F710-S713 PolarHBondContact O-N 3.13Å; F710-S713 PolarHBondContact O-OG 2.97Å; F710-V714 HydrophobicContact CD1-CG2 4.46Å; F710-V714 HydrophobicContact CE1-CG2 4.11Å; F710-V714 HydrophobicContact CZ-CG2 4.29Å; F710-V714 WeakPolarHBondContact O-CG2 3.21Å; F710-V714 PolarHBondContact O-N 2.68Å |
| 711 | L | 86.3 | Confident | 84.9 | Confident | 98 Ų | 98 | 79.3 Ų | 79.3 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -37.3 | 177.3 | -70.4 | 175.6 | 0 | 0 | 0 | 112.3 | T707 V708 S713 V714 V715 | T707-L711 HydrophobicContact CG2-CD1 3.99Å; T707-L711 HydrophobicContact CG2-CG 4.36Å; T707-L711 WeakPolarHBondContact O-CB 3.45Å; T707-L711 WeakPolarHBondContact O-CG 3.26Å; T707-L711 PolarHBondContact O-N 2.91Å; V708-L711 PolarHBondContact O-N 3.4Å; L711-S713 VanDerWaalsContact C-N 3.33Å; L711-S713 PolarHBondContact O-N 3.12Å; L711-V714 PolarHBondContact O-N 3.16Å; L711-V715 PolarHBondContact O-N 2.81Å |
| 712 | A | 85.1 | Confident | 85.8 | Confident | 63 Ų | 63 | 77.3 Ų | 77.3 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.9 | -29.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | V708 F710 V714 | V708-A712 WeakPolarHBondContact O-CB 3.21Å; V708-A712 PolarHBondContact O-N 3.34Å; F710-A712 VanDerWaalsContact C-N 3.31Å; F710-A712 PolarHBondContact O-N 3.21Å; A712-V714 VanDerWaalsContact C-N 3.35Å |
| 713 | S | 81.7 | Confident | 86.5 | Confident | 53 Ų | 53 | 77 Ų | 77 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -78.2 | -15.9 | 172.5 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | P689 A709 F710 L711 | P689-S713 WeakPolarHBondContact CD-OG 3.47Å; A709-S713 PolarHBondContact O-N 3.43Å; A709-S713 PolarHBondContact O-OG 3.42Å; F710-S713 PolarHBondContact O-N 3.13Å; F710-S713 PolarHBondContact O-OG 2.97Å; L711-S713 VanDerWaalsContact C-N 3.33Å; L711-S713 PolarHBondContact O-N 3.12Å |
| 714 | V | 84.9 | Confident | 86.9 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 62% | 0.618 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -92 | -19.4 | -179.4 | 172.3 | 0 | 0 | 0 | 0 | 112.4 | F710 L711 A712 | F710-V714 HydrophobicContact CD1-CG2 4.46Å; F710-V714 HydrophobicContact CE1-CG2 4.11Å; F710-V714 HydrophobicContact CZ-CG2 4.29Å; F710-V714 WeakPolarHBondContact O-CG2 3.21Å; F710-V714 PolarHBondContact O-N 2.68Å; L711-V714 PolarHBondContact O-N 3.16Å; A712-V714 VanDerWaalsContact C-N 3.35Å |
| 715 | V | 87.7 | Confident | 87.3 | Confident | 69 Ų | 69 | 73.6 Ų | 73.6 | 42% | 0.418 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -97.8 | 136 | 179.8 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | L711 A720 | L711-V715 PolarHBondContact O-N 2.81Å; V715-A720 HydrophobicContact CG2-CB 4.07Å |
| 716 | D | 85.6 | Confident | 87.9 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 42% | 0.422 | 42% | 0.421 | S | S | . | . | trans | -60.6 | 129.8 | 168.9 | -176 | -40.8 | 0 | 0 | 0 | 109.3 | R718 V719 A720 | D716-R718 PolarHBondContact O-N 3.1Å; D716-R718 WeakPolarHBondContact OD1-CB 3.45Å; D716-R718 WeakPolarHBondContact OD1-CD 3.48Å; D716-R718 WeakPolarHBondContact OD1-CG 3.37Å; D716-R718 PolarHBondContact OD1-N 2.87Å; D716-V719 HydrophobicContact CB-CG2 4.28Å; D716-V719 PolarHBondContact O-N 2.87Å; D716-A720 PolarHBondContact O-N 2.81Å; D716-A720 VanDerWaalsContact O-N 3.09Å | ||
| 717 | P | 87.9 | Confident | 88.3 | Confident | 101 Ų | 101 | 72.2 Ų | 72.2 | 66% | 0.656 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -50.2 | -28.7 | 175.7 | -29.8 | 36.2 | 0 | 0 | 0 | 114.7 | S721 | P717-S721 WeakPolarHBondContact O-CB 3.37Å; P717-S721 PolarHBondContact O-N 2.83Å; P717-S721 PolarHBondContact O-OG 3.43Å; P717-S721 VanDerWaalsContact O-OG 3.13Å |
| 718 | R | 90.1 | Very high | 88.5 | Confident | 195 Ų | 195 | 74.2 Ų | 74.2 | 74% | 0.736 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61 | -51.7 | 173.5 | -63.3 | 167.7 | -178.4 | -162.3 | 1.4 | 111 | D716 S721 A722 | D716-R718 PolarHBondContact O-N 3.1Å; D716-R718 WeakPolarHBondContact OD1-CB 3.45Å; D716-R718 WeakPolarHBondContact OD1-CD 3.48Å; D716-R718 WeakPolarHBondContact OD1-CG 3.37Å; D716-R718 PolarHBondContact OD1-N 2.87Å; R718-S721 PolarHBondContact O-N 3.24Å; R718-S721 PolarHBondContact O-OG 3.31Å; R718-A722 PolarHBondContact O-N 2.83Å |
| 719 | V | 93.6 | Very high | 88.7 | Confident | 93 Ų | 93 | 74 Ų | 74 | 56% | 0.564 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.5 | -46.4 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | D716 S721 A722 A723 | D716-V719 HydrophobicContact CB-CG2 4.28Å; D716-V719 PolarHBondContact O-N 2.87Å; V719-S721 VanDerWaalsContact C-N 3.32Å; V719-S721 PolarHBondContact O-N 2.88Å; V719-A722 PolarHBondContact O-N 2.86Å; V719-A722 VanDerWaalsContact O-N 3.14Å; V719-A723 PolarHBondContact O-N 3.44Å |
| 720 | A | 90.9 | Very high | 89.1 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V715 D716 A722 A724 | V715-A720 HydrophobicContact CG2-CB 4.07Å; D716-A720 PolarHBondContact O-N 2.81Å; D716-A720 VanDerWaalsContact O-N 3.09Å; A720-A722 VanDerWaalsContact C-N 3.28Å; A720-A722 PolarHBondContact O-N 3.39Å; A720-A724 WeakPolarHBondContact O-CB 3.31Å; A720-A724 PolarHBondContact O-N 3.02Å |
| 721 | S | 89.1 | Confident | 89.4 | Confident | 45 Ų | 45 | 77.9 Ų | 77.9 | 32% | 0.315 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.6 | -14.3 | 179 | 79 | 0 | 0 | 0 | 0 | 114.7 | P717 R718 V719 K820 | P717-S721 WeakPolarHBondContact O-CB 3.37Å; P717-S721 PolarHBondContact O-N 2.83Å; P717-S721 PolarHBondContact O-OG 3.43Å; P717-S721 VanDerWaalsContact O-OG 3.13Å; R718-S721 PolarHBondContact O-N 3.24Å; R718-S721 PolarHBondContact O-OG 3.31Å; V719-S721 VanDerWaalsContact C-N 3.32Å; V719-S721 PolarHBondContact O-N 2.88Å; S721-K820 VanDerWaalsContact C-NZ 3.35Å; S721-K820 WeakPolarHBondContact O-CD 3.36Å; S721-K820 PolarHBondContact O-NZ 2.84Å; S721-K820 PolarHBondContact OG-NZ 3.45Å |
| 722 | A | 93.3 | Very high | 89.3 | Confident | 20 Ų | 20 | 76.3 Ų | 76.3 | 17% | 0.165 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -83.9 | -58.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | R718 V719 A720 A724 K725 S726 T821 | R718-A722 PolarHBondContact O-N 2.83Å; V719-A722 PolarHBondContact O-N 2.86Å; V719-A722 VanDerWaalsContact O-N 3.14Å; A720-A722 VanDerWaalsContact C-N 3.28Å; A720-A722 PolarHBondContact O-N 3.39Å; A722-A724 VanDerWaalsContact C-N 3.29Å; A722-A724 PolarHBondContact O-N 3.17Å; A722-K725 PolarHBondContact O-N 3.36Å; A722-S726 PolarHBondContact O-N 2.78Å; A722-S726 PolarHBondContact O-OG 3.17Å; A722-T821 WeakPolarHBondContact CA-OG1 3.26Å; A722-T821 HydrophobicContact CB-CG2 4.05Å; A722-T821 WeakPolarHBondContact CB-OG1 3.44Å; A722-T821 PolarHBondContact O-OG1 3.26Å; A722-T821 VanDerWaalsContact O-OG1 3.1Å |
| 723 | A | 91.8 | Very high | 89.3 | Confident | 63 Ų | 63 | 77.6 Ų | 77.6 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -54.1 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V719 K725 A727 | V719-A723 PolarHBondContact O-N 3.44Å; A723-K725 VanDerWaalsContact C-N 3.26Å; A723-K725 PolarHBondContact O-N 2.94Å; A723-A727 WeakPolarHBondContact O-CB 3.48Å; A723-A727 PolarHBondContact O-N 3.32Å; A723-A727 VanDerWaalsContact O-N 3.12Å |
| 724 | A | 93.1 | Very high | 89.3 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.7 | -31.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A720 A722 L728 | A720-A724 WeakPolarHBondContact O-CB 3.31Å; A720-A724 PolarHBondContact O-N 3.02Å; A722-A724 VanDerWaalsContact C-N 3.29Å; A722-A724 PolarHBondContact O-N 3.17Å; A724-L728 WeakPolarHBondContact O-CD1 3.03Å; A724-L728 PolarHBondContact O-N 3.04Å |
| 725 | K | 91.8 | Very high | 88.9 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 24% | 0.235 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -92.4 | -35.9 | -176.2 | -68.9 | -172.5 | 66.6 | -88.7 | 0 | 113.4 | A722 A723 A727 L728 E729 E819 K820 | A722-K725 PolarHBondContact O-N 3.36Å; A723-K725 VanDerWaalsContact C-N 3.26Å; A723-K725 PolarHBondContact O-N 2.94Å; K725-A727 PolarHBondContact O-N 3.14Å; K725-L728 PolarHBondContact O-N 2.96Å; K725-E729 PolarHBondContact O-N 2.85Å; K725-E819 WeakPolarHBondContact CE-OE1 3.5Å; K725-E819 VanDerWaalsContact NZ-C 3.26Å; K725-E819 VanDerWaalsContact NZ-CB 3.25Å; K725-E819 PolarHBondContact NZ-O 2.97Å; K725-E819 IonicContact NZ-OE1 3.66Å; K725-E819 PolarHBondContact NZ-OE1 3.36Å; K725-E819 IonicContact NZ-OE2 3.88Å; K725-K820 HydrophobicContact CB-CB 3.88Å; K725-K820 HydrophobicContact CB-CD 4.23Å; K725-K820 HydrophobicContact CD-CD 4.3Å |
| 726 | S | 93.5 | Very high | 88.3 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 21% | 0.21 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -56.3 | -39.5 | 165.3 | -56 | 0 | 0 | 0 | 0 | 110.8 | A722 E729 E730 T821 | A722-S726 PolarHBondContact O-N 2.78Å; A722-S726 PolarHBondContact O-OG 3.17Å; S726-E729 PolarHBondContact O-N 2.98Å; S726-E730 WeakPolarHBondContact O-CG 3.35Å; S726-E730 PolarHBondContact O-N 3.06Å; S726-T821 PolarHBondContact OG-N 2.95Å; S726-T821 PolarHBondContact OG-O 2.96Å; S726-T821 PolarHBondContact OG-OG1 3.17Å |
| 727 | A | 91.5 | Very high | 87.9 | Confident | 57 Ų | 57 | 86.3 Ų | 86.3 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | A723 K725 F731 | A723-A727 WeakPolarHBondContact O-CB 3.48Å; A723-A727 PolarHBondContact O-N 3.32Å; A723-A727 VanDerWaalsContact O-N 3.12Å; K725-A727 PolarHBondContact O-N 3.14Å; A727-F731 WeakPolarHBondContact O-CB 3.24Å; A727-F731 PolarHBondContact O-N 3.35Å |
| 728 | L | 89.3 | Confident | 87.4 | Confident | 120 Ų | 120 | 82.9 Ų | 82.9 | 63% | 0.628 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -73.4 | -34.7 | 176.2 | -104.4 | 66.3 | 0 | 0 | 0 | 112.7 | A724 K725 S732 | A724-L728 WeakPolarHBondContact O-CD1 3.03Å; A724-L728 PolarHBondContact O-N 3.04Å; K725-L728 PolarHBondContact O-N 2.96Å; L728-S732 WeakPolarHBondContact O-CB 3.5Å; L728-S732 PolarHBondContact O-N 3.28Å |
| 729 | E | 90.3 | Very high | 87.1 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 173.1 | -72.2 | -159.5 | 160.9 | 0 | 0 | 111.2 | K725 S726 F731 S732 K733 E819 K820 | K725-E729 PolarHBondContact O-N 2.85Å; S726-E729 PolarHBondContact O-N 2.98Å; E729-F731 PolarHBondContact O-N 3.22Å; E729-S732 WeakPolarHBondContact O-CB 3.47Å; E729-S732 PolarHBondContact O-N 2.9Å; E729-S732 VanDerWaalsContact O-N 3.15Å; E729-K733 WeakPolarHBondContact O-CG 3.49Å; E729-K733 PolarHBondContact O-N 2.83Å; E729-E819 VanDerWaalsContact OE1-CA 3.23Å; E729-E819 WeakPolarHBondContact OE1-CA 3.34Å; E729-E819 PolarHBondContact OE1-N 2.62Å; E729-E819 VanDerWaalsContact OE1-O 3.11Å; E729-K820 VanDerWaalsContact CD-O 3.27Å; E729-K820 PolarHBondContact OE1-N 3.18Å |
| 730 | E | 91.7 | Very high | 86.4 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.8 | -67.5 | -52.1 | 129.2 | 0 | 0 | 112.4 | S726 S732 K733 M734 | S726-E730 WeakPolarHBondContact O-CG 3.35Å; S726-E730 PolarHBondContact O-N 3.06Å; E730-S732 PolarHBondContact O-N 3.27Å; E730-K733 PolarHBondContact O-N 2.96Å; E730-K733 IonicContact OE1-NZ 2.74Å; E730-K733 PolarHBondContact OE1-NZ 2.87Å; E730-M734 WeakPolarHBondContact O-CG 3.36Å; E730-M734 PolarHBondContact O-N 3.27Å |
| 731 | F | 87.4 | Confident | 85.9 | Confident | 141 Ų | 141 | 78.9 Ų | 78.9 | 62% | 0.618 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.8 | -31.9 | 174.6 | -177 | -103.1 | 0 | 0 | 0 | 112.8 | A727 E729 K735 | A727-F731 WeakPolarHBondContact O-CB 3.24Å; A727-F731 PolarHBondContact O-N 3.35Å; E729-F731 PolarHBondContact O-N 3.22Å; F731-K735 PolarHBondContact O-N 2.75Å |
| 732 | S | 85.1 | Confident | 85.4 | Confident | 66 Ų | 66 | 81.8 Ų | 81.8 | 46% | 0.462 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 173.2 | -158.6 | 0 | 0 | 0 | 0 | 111.3 | L728 E729 E730 K735 E736 | L728-S732 WeakPolarHBondContact O-CB 3.5Å; L728-S732 PolarHBondContact O-N 3.28Å; E729-S732 WeakPolarHBondContact O-CB 3.47Å; E729-S732 PolarHBondContact O-N 2.9Å; E729-S732 VanDerWaalsContact O-N 3.15Å; E730-S732 PolarHBondContact O-N 3.27Å; S732-K735 WeakPolarHBondContact O-CB 3.28Å; S732-K735 PolarHBondContact O-N 2.85Å; S732-K735 VanDerWaalsContact O-N 3.16Å; S732-E736 WeakPolarHBondContact O-CG 3.44Å; S732-E736 PolarHBondContact O-N 3Å |
| 733 | K | 84.3 | Confident | 84.8 | Confident | 90 Ų | 90 | 82.2 Ų | 82.2 | 39% | 0.391 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 176.5 | -63.5 | 166.6 | -163.2 | 172 | 0 | 111.8 | E729 E730 K735 E736 E737 | E729-K733 WeakPolarHBondContact O-CG 3.49Å; E729-K733 PolarHBondContact O-N 2.83Å; E730-K733 PolarHBondContact O-N 2.96Å; E730-K733 IonicContact OE1-NZ 2.74Å; E730-K733 PolarHBondContact OE1-NZ 2.87Å; K733-K735 PolarHBondContact O-N 2.74Å; K733-K735 VanDerWaalsContact O-N 3.09Å; K733-E736 WeakPolarHBondContact O-CA 3.48Å; K733-E736 WeakPolarHBondContact O-CB 3.38Å; K733-E736 PolarHBondContact O-N 3.11Å; K733-E737 PolarHBondContact O-N 3.34Å |
| 734 | M | 81.7 | Confident | 84.4 | Confident | 130 Ų | 130 | 85.3 Ų | 85.3 | 64% | 0.64 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.9 | -21.3 | 177.4 | -68.5 | -178.8 | -177.2 | 0 | 0 | 114.2 | E730 | E730-M734 WeakPolarHBondContact O-CG 3.36Å; E730-M734 PolarHBondContact O-N 3.27Å |
| 735 | K | 78 | Confident | 83.8 | Confident | 114 Ų | 114 | 85 Ų | 85 | 50% | 0.496 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -85.2 | -13.4 | 175.1 | -173.8 | -174 | 171.1 | -163.1 | 0 | 112.6 | F731 S732 K733 G1193 | F731-K735 PolarHBondContact O-N 2.75Å; S732-K735 WeakPolarHBondContact O-CB 3.28Å; S732-K735 PolarHBondContact O-N 2.85Å; S732-K735 VanDerWaalsContact O-N 3.16Å; K733-K735 PolarHBondContact O-N 2.74Å; K733-K735 VanDerWaalsContact O-N 3.09Å; K735-G1193 PolarHBondContact NZ-O 3.33Å |
| 736 | E | 74.2 | Confident | 83.3 | Confident | 117 Ų | 117 | 82.7 Ų | 82.7 | 55% | 0.547 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -94.8 | -29 | 176.4 | -61.5 | -80.4 | 113.3 | 0 | 0 | 112.7 | S732 K733 K905 | S732-E736 WeakPolarHBondContact O-CG 3.44Å; S732-E736 PolarHBondContact O-N 3Å; K733-E736 WeakPolarHBondContact O-CA 3.48Å; K733-E736 WeakPolarHBondContact O-CB 3.38Å; K733-E736 PolarHBondContact O-N 3.11Å; E736-K905 IonicContact OE1-NZ 2.67Å; E736-K905 PolarHBondContact OE1-NZ 2.88Å; E736-K905 IonicContact OE2-NZ 2.85Å; E736-K905 PolarHBondContact OE2-NZ 2.87Å |
| 737 | E | 78 | Confident | 82.8 | Confident | 125 Ų | 125 | 82 Ų | 82 | 58% | 0.584 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -71.4 | 155.1 | -173.9 | -75.1 | 170.5 | -159.3 | 0 | 0 | 115 | K733 | K733-E737 PolarHBondContact O-N 3.34Š|
| 738 | V | 76.5 | Confident | 82.4 | Confident | 28 Ų | 28 | 86.8 Ų | 86.8 | 17% | 0.17 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 129.4 | 171.7 | -179 | 0 | 0 | 0 | 0 | 109.1 | T740 L742 V743 L897 A901 | V738-T740 PolarHBondContact O-N 3.32Å; V738-L742 HydrophobicContact CG1-CB 4.12Å; V738-V743 HydrophobicContact CB-CG2 4.11Å; V738-V743 HydrophobicContact CG1-CG2 3.99Å; V738-L897 HydrophobicContact CG1-CD2 3.98Å; V738-L897 HydrophobicContact CG1-CG 4.38Å; V738-A901 HydrophobicContact CG2-CB 3.4Å; V738-A901 VanDerWaalsContact CG2-CB 3.4Å |
| 739 | P | 83.6 | Confident | 81.9 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 126.7 | 178.2 | -29.4 | 35.2 | 0 | 0 | 0 | 112.6 | A741 L742 V743 | P739-A741 PolarHBondContact O-N 3.41Å; P739-L742 HydrophobicContact CG-CD1 4.47Å; P739-L742 WeakPolarHBondContact O-CB 3.33Å; P739-L742 PolarHBondContact O-N 3.35Å; P739-V743 PolarHBondContact O-N 2.75Å |
| 740 | T | 78.5 | Confident | 81.5 | Confident | 95 Ų | 95 | 83.4 Ų | 83.4 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -53.7 | -36.5 | -169.7 | -37.2 | 0 | 0 | 0 | 0 | 113.3 | V738 L742 V743 E744 | V738-T740 PolarHBondContact O-N 3.32Å; T740-L742 VanDerWaalsContact C-N 3.26Å; T740-L742 PolarHBondContact O-N 2.97Å; T740-V743 WeakPolarHBondContact O-CA 3.36Å; T740-V743 WeakPolarHBondContact O-CB 3.39Å; T740-V743 PolarHBondContact O-N 2.89Å; T740-E744 WeakPolarHBondContact O-CG 3.35Å; T740-E744 PolarHBondContact O-N 2.89Å |
| 741 | A | 80.6 | Confident | 80.9 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.1 | -27.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P739 A745 | P739-A741 PolarHBondContact O-N 3.41Å; A741-A745 WeakPolarHBondContact O-CB 3.25Å; A741-A745 PolarHBondContact O-N 3.16Å; A741-A745 VanDerWaalsContact O-N 3.13Å |
| 742 | L | 78.9 | Confident | 80.6 | Confident | 105 Ų | 105 | 79 Ų | 79 | 55% | 0.55 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -78.8 | -34.6 | 172.3 | -65 | 177.6 | 0 | 0 | 0 | 111.6 | V738 P739 T740 A745 H746 L897 | V738-L742 HydrophobicContact CG1-CB 4.12Å; P739-L742 HydrophobicContact CG-CD1 4.47Å; P739-L742 WeakPolarHBondContact O-CB 3.33Å; P739-L742 PolarHBondContact O-N 3.35Å; T740-L742 VanDerWaalsContact C-N 3.26Å; T740-L742 PolarHBondContact O-N 2.97Å; L742-A745 PolarHBondContact O-N 2.78Å; L742-H746 WeakPolarHBondContact O-CB 3.43Å; L742-H746 PolarHBondContact O-N 2.78Å; L742-L897 HydrophobicContact CB-CD2 4.47Å |
| 743 | V | 81.3 | Confident | 80 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -52.1 | 173.4 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | V738 P739 T740 A745 H746 V747 A894 L897 | V738-V743 HydrophobicContact CB-CG2 4.11Å; V738-V743 HydrophobicContact CG1-CG2 3.99Å; P739-V743 PolarHBondContact O-N 2.75Å; T740-V743 WeakPolarHBondContact O-CA 3.36Å; T740-V743 WeakPolarHBondContact O-CB 3.39Å; T740-V743 PolarHBondContact O-N 2.89Å; V743-A745 VanDerWaalsContact C-N 3.33Å; V743-A745 PolarHBondContact O-N 3.23Å; V743-H746 PolarHBondContact O-N 2.96Å; V743-H746 VanDerWaalsContact O-N 3.12Å; V743-V747 HydrophobicContact CG1-CG2 4.27Å; V743-V747 WeakPolarHBondContact O-CB 3.37Å; V743-V747 VanDerWaalsContact O-CG2 3.29Å; V743-V747 WeakPolarHBondContact O-CG2 3.29Å; V743-V747 PolarHBondContact O-N 2.64Å; V743-A894 HydrophobicContact CG1-CB 3.44Å; V743-A894 VanDerWaalsContact CG1-CB 3.44Å; V743-L897 HydrophobicContact CG2-CD2 4.27Å |
| 744 | E | 83 | Confident | 79.7 | Confident | 127 Ų | 127 | 73 Ų | 73 | 59% | 0.593 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.9 | -43.7 | 175.2 | -70.5 | 173 | -171.3 | 0 | 0 | 112.1 | T740 H746 R748 | T740-E744 WeakPolarHBondContact O-CG 3.35Å; T740-E744 PolarHBondContact O-N 2.89Å; E744-H746 VanDerWaalsContact C-N 3.32Å; E744-H746 PolarHBondContact O-N 2.84Å; E744-R748 VanDerWaalsContact O-CB 3.24Å; E744-R748 WeakPolarHBondContact O-CB 3.44Å; E744-R748 PolarHBondContact O-N 3.24Å |
| 745 | A | 81.5 | Confident | 79.5 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 37% | 0.372 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69 | -25.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A741 L742 V743 K749 | A741-A745 WeakPolarHBondContact O-CB 3.25Å; A741-A745 PolarHBondContact O-N 3.16Å; A741-A745 VanDerWaalsContact O-N 3.13Å; L742-A745 PolarHBondContact O-N 2.78Å; V743-A745 VanDerWaalsContact C-N 3.33Å; V743-A745 PolarHBondContact O-N 3.23Å; A745-K749 WeakPolarHBondContact O-CD 3Å; A745-K749 VanDerWaalsContact O-CG 3.24Å; A745-K749 WeakPolarHBondContact O-CG 3.44Å |
| 746 | H | 80 | Confident | 79.4 | Confident | 7 Ų | 7 | 73.3 Ų | 73.3 | 3% | 0.032 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -82.2 | -49.2 | 174 | -175.6 | 64.3 | 0 | 0 | 0 | 111.7 | L742 V743 E744 R748 K749 V750 P762 F764 L766 A893 L897 | L742-H746 WeakPolarHBondContact O-CB 3.43Å; L742-H746 PolarHBondContact O-N 2.78Å; V743-H746 PolarHBondContact O-N 2.96Å; V743-H746 VanDerWaalsContact O-N 3.12Å; E744-H746 VanDerWaalsContact C-N 3.32Å; E744-H746 PolarHBondContact O-N 2.84Å; H746-R748 VanDerWaalsContact C-N 3.26Å; H746-R748 PolarHBondContact O-N 2.86Å; H746-K749 WeakPolarHBondContact O-CB 3.41Å; H746-K749 PolarHBondContact O-N 2.66Å; H746-V750 PolarHBondContact O-N 3.27Å; H746-P762 PolarHBondContact NE2-O 2.86Å; H746-P762 VanDerWaalsContact NE2-O 3.14Å; H746-F764 PolarHBondContact CE1-O 2.81Å; H746-F764 VanDerWaalsContact CE1-O 3.29Å; H746-L766 VanDerWaalsContact CE1-CD2 3.47Å; H746-L766 WeakPolarHBondContact CE1-CD2 3.44Å; H746-A893 PolarHBondContact CD2-O 3.12Å; H746-L897 HydrophobicContact CB-CD2 3.84Å |
| 747 | V | 83.7 | Confident | 79 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.085 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -47.3 | -51.3 | 171.8 | 163.2 | 0 | 0 | 0 | 0 | 110.6 | V743 K749 V750 E751 S890 A893 A894 | V743-V747 HydrophobicContact CG1-CG2 4.27Å; V743-V747 WeakPolarHBondContact O-CB 3.37Å; V743-V747 VanDerWaalsContact O-CG2 3.29Å; V743-V747 WeakPolarHBondContact O-CG2 3.29Å; V743-V747 PolarHBondContact O-N 2.64Å; V747-K749 PolarHBondContact O-N 3.13Å; V747-V750 PolarHBondContact O-N 3.15Å; V747-E751 WeakPolarHBondContact CG1-OE1 3.46Å; V747-E751 WeakPolarHBondContact O-CG 3.49Å; V747-E751 PolarHBondContact O-N 2.86Å; V747-S890 VanDerWaalsContact CG1-OG 3.3Å; V747-S890 WeakPolarHBondContact CG1-OG 3.43Å; V747-S890 WeakPolarHBondContact CG2-O 3.49Å; V747-A893 HydrophobicContact CG2-CB 4.12Å; V747-A894 HydrophobicContact CG2-CB 4.37Å |
| 748 | R | 82.4 | Confident | 78.4 | Confident | 159 Ų | 159 | 69.2 Ų | 69.2 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | -180 | -177.9 | 175.5 | 169.7 | 163.5 | 3.5 | 113.2 | E744 H746 E751 E752 | E744-R748 VanDerWaalsContact O-CB 3.24Å; E744-R748 WeakPolarHBondContact O-CB 3.44Å; E744-R748 PolarHBondContact O-N 3.24Å; H746-R748 VanDerWaalsContact C-N 3.26Å; H746-R748 PolarHBondContact O-N 2.86Å; R748-E751 PolarHBondContact O-N 2.94Å; R748-E752 HydrophobicContact CG-CG 4.4Å; R748-E752 IonicContact CZ-OE1 3.38Å; R748-E752 VanDerWaalsContact CZ-OE1 3.24Å; R748-E752 IonicContact NE-OE1 3.8Å; R748-E752 PolarHBondContact NE-OE1 3.11Å; R748-E752 IonicContact NH2-OE1 3.9Å; R748-E752 PolarHBondContact NH2-OE1 2.9Å; R748-E752 WeakPolarHBondContact O-CB 3.48Å; R748-E752 WeakPolarHBondContact O-CG 3.4Å; R748-E752 PolarHBondContact O-N 3.44Å |
| 749 | K | 80.1 | Confident | 77.7 | Confident | 112 Ų | 112 | 75.9 Ų | 75.9 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 175.4 | -73.3 | 168.1 | -174.6 | 177.4 | 0 | 111.7 | A745 H746 V747 E752 A753 | A745-K749 WeakPolarHBondContact O-CD 3Å; A745-K749 VanDerWaalsContact O-CG 3.24Å; A745-K749 WeakPolarHBondContact O-CG 3.44Å; H746-K749 WeakPolarHBondContact O-CB 3.41Å; H746-K749 PolarHBondContact O-N 2.66Å; V747-K749 PolarHBondContact O-N 3.13Å; K749-E752 PolarHBondContact O-N 2.92Å; K749-A753 WeakPolarHBondContact O-CB 3.4Å; K749-A753 PolarHBondContact O-N 3.46Å |
| 750 | V | 80.5 | Confident | 76.8 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.012 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | H746 V747 A753 A754 D761 F764 L889 A893 | H746-V750 PolarHBondContact O-N 3.27Å; V747-V750 PolarHBondContact O-N 3.15Å; V750-A753 PolarHBondContact O-N 3.36Å; V750-A754 VanDerWaalsContact O-CB 3.31Å; V750-A754 WeakPolarHBondContact O-CB 3.17Å; V750-A754 PolarHBondContact O-N 3.07Å; V750-D761 WeakPolarHBondContact CG1-O 3.43Å; V750-F764 HydrophobicContact CG2-CB 4.35Å; V750-L889 HydrophobicContact CG1-CD1 3.52Å; V750-L889 HydrophobicContact CG1-CD2 4.09Å; V750-L889 HydrophobicContact CG1-CG 3.8Å; V750-A893 HydrophobicContact CB-CB 4.05Å; V750-A893 HydrophobicContact CG1-CB 4.1Å; V750-A893 HydrophobicContact CG2-CB 3.91Å |
| 751 | E | 80.1 | Confident | 76.6 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 21% | 0.21 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.9 | -74.9 | -177.1 | -148.2 | 0 | 0 | 112.9 | V747 R748 A753 A754 K755 L889 | V747-E751 WeakPolarHBondContact CG1-OE1 3.46Å; V747-E751 WeakPolarHBondContact O-CG 3.49Å; V747-E751 PolarHBondContact O-N 2.86Å; R748-E751 PolarHBondContact O-N 2.94Å; E751-A753 VanDerWaalsContact C-N 3.29Å; E751-A753 PolarHBondContact O-N 3.32Å; E751-A754 PolarHBondContact O-N 3.38Å; E751-K755 WeakPolarHBondContact O-CB 3.23Å; E751-K755 VanDerWaalsContact O-CD 3.32Å; E751-K755 WeakPolarHBondContact O-CD 3.03Å; E751-K755 WeakPolarHBondContact O-CG 3.49Å; E751-K755 PolarHBondContact O-N 3.36Å; E751-K755 IonicContact OE2-NZ 3.29Å; E751-K755 PolarHBondContact OE2-NZ 2.89Å; E751-L889 HydrophobicContact CG-CD2 4.48Å |
| 752 | E | 79.6 | Confident | 76.2 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 177 | -74.7 | 176.2 | 179 | 0 | 0 | 110.8 | R748 K749 V756 | R748-E752 HydrophobicContact CG-CG 4.4Å; R748-E752 IonicContact CZ-OE1 3.38Å; R748-E752 VanDerWaalsContact CZ-OE1 3.24Å; R748-E752 IonicContact NE-OE1 3.8Å; R748-E752 PolarHBondContact NE-OE1 3.11Å; R748-E752 IonicContact NH2-OE1 3.9Å; R748-E752 PolarHBondContact NH2-OE1 2.9Å; R748-E752 WeakPolarHBondContact O-CB 3.48Å; R748-E752 WeakPolarHBondContact O-CG 3.4Å; R748-E752 PolarHBondContact O-N 3.44Å; K749-E752 PolarHBondContact O-N 2.92Å; E752-V756 WeakPolarHBondContact O-CG2 3.23Å; E752-V756 PolarHBondContact O-N 3.06Å; E752-V756 VanDerWaalsContact O-N 3.13Å |
| 753 | A | 74.3 | Confident | 75.8 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K749 V750 E751 K755 V756 T757 F764 | K749-A753 WeakPolarHBondContact O-CB 3.4Å; K749-A753 PolarHBondContact O-N 3.46Å; V750-A753 PolarHBondContact O-N 3.36Å; E751-A753 VanDerWaalsContact C-N 3.29Å; E751-A753 PolarHBondContact O-N 3.32Å; A753-K755 VanDerWaalsContact C-N 3.32Å; A753-K755 PolarHBondContact O-N 3.33Å; A753-V756 PolarHBondContact O-N 3.03Å; A753-T757 WeakPolarHBondContact O-CB 3.21Å; A753-T757 WeakPolarHBondContact O-CG2 3.04Å; A753-T757 PolarHBondContact O-N 2.95Å; A753-T757 PolarHBondContact O-OG1 2.68Å; A753-F764 HydrophobicContact CB-CD1 3.32Å; A753-F764 HydrophobicContact CB-CD2 4.17Å; A753-F764 HydrophobicContact CB-CE1 3.35Å; A753-F764 HydrophobicContact CB-CE2 4.19Å; A753-F764 HydrophobicContact CB-CG 3.76Å; A753-F764 HydrophobicContact CB-CZ 3.8Å |
| 754 | A | 77.7 | Confident | 75.2 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V750 E751 V756 G758 A760 L889 | V750-A754 VanDerWaalsContact O-CB 3.31Å; V750-A754 WeakPolarHBondContact O-CB 3.17Å; V750-A754 PolarHBondContact O-N 3.07Å; E751-A754 PolarHBondContact O-N 3.38Å; A754-V756 VanDerWaalsContact C-N 3.28Å; A754-V756 PolarHBondContact O-N 3.27Å; A754-G758 WeakPolarHBondContact O-CA 3.45Å; A754-G758 PolarHBondContact O-N 3.3Å; A754-A760 HydrophobicContact CB-CB 4.14Å; A754-L889 HydrophobicContact CB-CD2 3.81Å |
| 755 | K | 77 | Confident | 74.6 | Confident | 125 Ų | 125 | 65.8 Ų | 65.8 | 54% | 0.543 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.7 | -24.2 | 177.7 | -71.5 | 161.1 | -174.9 | 168.5 | 0 | 113.1 | E751 A753 E886 | E751-K755 WeakPolarHBondContact O-CB 3.23Å; E751-K755 VanDerWaalsContact O-CD 3.32Å; E751-K755 WeakPolarHBondContact O-CD 3.03Å; E751-K755 WeakPolarHBondContact O-CG 3.49Å; E751-K755 PolarHBondContact O-N 3.36Å; E751-K755 IonicContact OE2-NZ 3.29Å; E751-K755 PolarHBondContact OE2-NZ 2.89Å; A753-K755 VanDerWaalsContact C-N 3.32Å; A753-K755 PolarHBondContact O-N 3.33Å; K755-E886 WeakPolarHBondContact CE-OE1 3.48Å; K755-E886 IonicContact NZ-OE1 2.78Å; K755-E886 PolarHBondContact NZ-OE1 3.22Å |
| 756 | V | 75.1 | Confident | 73.9 | Confident | 126 Ų | 126 | 64.2 Ų | 64.2 | 76% | 0.764 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -92.4 | -35.9 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 113.3 | E752 A753 A754 | E752-V756 WeakPolarHBondContact O-CG2 3.23Å; E752-V756 PolarHBondContact O-N 3.06Å; E752-V756 VanDerWaalsContact O-N 3.13Å; A753-V756 PolarHBondContact O-N 3.03Å; A754-V756 VanDerWaalsContact C-N 3.28Å; A754-V756 PolarHBondContact O-N 3.27Å |
| 757 | T | 67.1 | Low | 73.2 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -100.1 | -14.8 | -171.6 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | A753 K759 | A753-T757 WeakPolarHBondContact O-CB 3.21Å; A753-T757 WeakPolarHBondContact O-CG2 3.04Å; A753-T757 PolarHBondContact O-N 2.95Å; A753-T757 PolarHBondContact O-OG1 2.68Å; T757-K759 PolarHBondContact O-N 3.26Å; T757-K759 PolarHBondContact OG1-N 3.18Å; T757-K759 PolarHBondContact OG1-O 3.45Å |
| 758 | G | 64.1 | Low | 72 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 77% | 0.773 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 68.7 | 13.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A754 | A754-G758 WeakPolarHBondContact O-CA 3.45Å; A754-G758 PolarHBondContact O-N 3.3Å |
| 759 | K | 63.1 | Low | 71 | Confident | 168 Ų | 168 | 69.6 Ų | 69.6 | 73% | 0.73 | 40% | 0.397 | S | S | * | . | trans | -131.8 | 121.6 | 176 | -67.9 | -175.4 | 179.9 | -179.2 | 0 | 110 | T757 D761 | T757-K759 PolarHBondContact O-N 3.26Å; T757-K759 PolarHBondContact OG1-N 3.18Å; T757-K759 PolarHBondContact OG1-O 3.45Å; K759-D761 PolarHBondContact O-N 3.43Å | ||
| 760 | A | 64.4 | Low | 70 | Confident | 39 Ų | 39 | 67.7 Ų | 67.7 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | trans | -87.3 | 102.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A754 I884 L889 | A754-A760 HydrophobicContact CB-CB 4.14Å; A760-I884 HydrophobicContact CB-CD1 4.14Å; A760-L889 HydrophobicContact CB-CD1 3.86Å; A760-L889 HydrophobicContact CB-CD2 3.85Å; A760-L889 HydrophobicContact CB-CG 4.44Å | ||
| 761 | D | 73.6 | Confident | 69.2 | Low | 82 Ų | 82 | 69.3 Ų | 69.3 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | trans | -112.2 | 108.7 | 174.1 | 178.9 | 4.1 | 0 | 0 | 0 | 110.7 | V750 K759 A763 F764 | V750-D761 WeakPolarHBondContact CG1-O 3.43Å; K759-D761 PolarHBondContact O-N 3.43Å; D761-A763 PolarHBondContact O-N 3.15Å; D761-A763 VanDerWaalsContact O-N 3.16Å; D761-A763 WeakPolarHBondContact OD1-CB 3.46Å; D761-A763 PolarHBondContact OD1-N 3.1Å; D761-F764 HydrophobicContact CB-CB 4.3Å; D761-F764 VanDerWaalsContact O-CB 3.29Å; D761-F764 WeakPolarHBondContact O-CB 3.33Å; D761-F764 PolarHBondContact O-N 2.86Å; D761-F764 VanDerWaalsContact O-N 3.12Å | ||
| 762 | P | 72 | Confident | 67.6 | Low | 35 Ų | 35 | 70.3 Ų | 70.3 | 23% | 0.227 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.3 | 176.6 | -26.3 | 36.3 | 0 | 0 | 0 | 115.6 | H746 L889 A892 A896 | H746-P762 PolarHBondContact NE2-O 2.86Å; H746-P762 VanDerWaalsContact NE2-O 3.14Å; P762-L889 HydrophobicContact CG-CD1 4.19Å; P762-A892 HydrophobicContact CB-CB 3.94Å; P762-A892 HydrophobicContact CG-CB 3.65Å; P762-A896 HydrophobicContact CB-CB 4.38Å |
| 763 | A | 70.7 | Confident | 66.5 | Low | 44 Ų | 44 | 67.7 Ų | 67.7 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | D761 G765 L766 | D761-A763 PolarHBondContact O-N 3.15Å; D761-A763 VanDerWaalsContact O-N 3.16Å; D761-A763 WeakPolarHBondContact OD1-CB 3.46Å; D761-A763 PolarHBondContact OD1-N 3.1Å; A763-G765 PolarHBondContact O-N 2.82Å; A763-G765 VanDerWaalsContact O-N 3.17Å; A763-L766 HydrophobicContact CB-CD1 4.23Å; A763-L766 VanDerWaalsContact O-CB 3.32Å; A763-L766 WeakPolarHBondContact O-CB 3.39Å; A763-L766 WeakPolarHBondContact O-CG 3.29Å; A763-L766 PolarHBondContact O-N 3.19Å |
| 764 | F | 70.3 | Confident | 65.7 | Low | 89 Ų | 89 | 69 Ų | 69 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 120.5 | -173.7 | -173.7 | -88.2 | 0 | 0 | 0 | 112.2 | H746 V750 A753 D761 | H746-F764 PolarHBondContact CE1-O 2.81Å; H746-F764 VanDerWaalsContact CE1-O 3.29Å; V750-F764 HydrophobicContact CG2-CB 4.35Å; A753-F764 HydrophobicContact CB-CD1 3.32Å; A753-F764 HydrophobicContact CB-CD2 4.17Å; A753-F764 HydrophobicContact CB-CE1 3.35Å; A753-F764 HydrophobicContact CB-CE2 4.19Å; A753-F764 HydrophobicContact CB-CG 3.76Å; A753-F764 HydrophobicContact CB-CZ 3.8Å; D761-F764 HydrophobicContact CB-CB 4.3Å; D761-F764 VanDerWaalsContact O-CB 3.29Å; D761-F764 WeakPolarHBondContact O-CB 3.33Å; D761-F764 PolarHBondContact O-N 2.86Å; D761-F764 VanDerWaalsContact O-N 3.12Å |
| 765 | G | 68.8 | Low | 64.3 | Low | 11 Ų | 11 | 72.8 Ų | 72.8 | 11% | 0.113 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -6.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | A763 E767 S768 S769 | A763-G765 PolarHBondContact O-N 2.82Å; A763-G765 VanDerWaalsContact O-N 3.17Å; G765-E767 VanDerWaalsContact C-N 3.28Å; G765-E767 PolarHBondContact O-N 3.08Å; G765-S768 PolarHBondContact O-N 3.07Å; G765-S768 VanDerWaalsContact O-N 3.15Å; G765-S768 PolarHBondContact O-OG 3.2Å; G765-S769 PolarHBondContact O-N 3.23Å; G765-S769 PolarHBondContact O-OG 3.18Å |
| 766 | L | 68.3 | Low | 62.6 | Low | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.063 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33.7 | 171.5 | -66 | -179.2 | 0 | 0 | 0 | 111.8 | H746 A763 S768 S769 T774 A896 L897 | H746-L766 VanDerWaalsContact CE1-CD2 3.47Å; H746-L766 WeakPolarHBondContact CE1-CD2 3.44Å; A763-L766 HydrophobicContact CB-CD1 4.23Å; A763-L766 VanDerWaalsContact O-CB 3.32Å; A763-L766 WeakPolarHBondContact O-CB 3.39Å; A763-L766 WeakPolarHBondContact O-CG 3.29Å; A763-L766 PolarHBondContact O-N 3.19Å; L766-S768 VanDerWaalsContact C-N 3.34Å; L766-S768 PolarHBondContact O-N 3.31Å; L766-S769 WeakPolarHBondContact O-CB 3.38Å; L766-S769 PolarHBondContact O-N 2.9Å; L766-S769 VanDerWaalsContact O-N 3.17Å; L766-T774 HydrophobicContact CB-CG2 4.48Å; L766-T774 PolarHBondContact O-OG1 3Å; L766-A896 HydrophobicContact CD1-CB 4.14Å; L766-L897 HydrophobicContact CD2-CB 4.46Å; L766-L897 HydrophobicContact CD2-CD1 3.66Å |
| 767 | E | 64.3 | Low | 60.8 | Low | 139 Ų | 139 | 73.7 Ų | 73.7 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -54.9 | -45.4 | 168.8 | 56.8 | -179 | 179.6 | 0 | 0 | 112.4 | G765 S769 | G765-E767 VanDerWaalsContact C-N 3.28Å; G765-E767 PolarHBondContact O-N 3.08Å; E767-S769 PolarHBondContact O-N 3.23Å |
| 768 | S | 59.1 | Low | 59.1 | Low | 99 Ų | 99 | 78.7 Ų | 78.7 | 69% | 0.692 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -76.9 | -8.8 | -179.9 | 73.6 | 0 | 0 | 0 | 0 | 113.7 | G765 L766 G770 | G765-S768 PolarHBondContact O-N 3.07Å; G765-S768 VanDerWaalsContact O-N 3.15Å; G765-S768 PolarHBondContact O-OG 3.2Å; L766-S768 VanDerWaalsContact C-N 3.34Å; L766-S768 PolarHBondContact O-N 3.31Å; S768-G770 VanDerWaalsContact C-N 3.29Å; S768-G770 PolarHBondContact O-N 2.83Å |
| 769 | S | 62.2 | Low | 58 | Low | 55 Ų | 55 | 81 Ų | 81 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -84.4 | -0.4 | -177.1 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | G765 L766 E767 I771 | G765-S769 PolarHBondContact O-N 3.23Å; G765-S769 PolarHBondContact O-OG 3.18Å; L766-S769 WeakPolarHBondContact O-CB 3.38Å; L766-S769 PolarHBondContact O-N 2.9Å; L766-S769 VanDerWaalsContact O-N 3.17Å; E767-S769 PolarHBondContact O-N 3.23Å; S769-I771 VanDerWaalsContact C-N 3.26Å; S769-I771 PolarHBondContact O-N 3.1Å |
| 770 | G | 58.4 | Low | 56.6 | Low | 72 Ų | 72 | 82 Ų | 82 | 74% | 0.742 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 20.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S768 A772 | S768-G770 VanDerWaalsContact C-N 3.29Å; S768-G770 PolarHBondContact O-N 2.83Å; G770-A772 PolarHBondContact O-N 3.15Å |
| 771 | I | 63 | Low | 54.9 | Low | 35 Ų | 35 | 91.1 Ų | 91.1 | 18% | 0.179 | 53% | 0.529 | C | S | . | . | trans | -79.5 | 119.6 | -177.7 | -59.4 | 174.1 | 0 | 0 | 0 | 108.8 | S769 G773 T774 A900 A904 | S769-I771 VanDerWaalsContact C-N 3.26Å; S769-I771 PolarHBondContact O-N 3.1Å; I771-G773 PolarHBondContact O-N 3.21Å; I771-G773 VanDerWaalsContact O-N 3.13Å; I771-T774 HydrophobicContact CB-CG2 3.92Å; I771-T774 HydrophobicContact CG2-CG2 4.05Å; I771-T774 PolarHBondContact O-N 2.69Å; I771-T774 VanDerWaalsContact O-N 3.14Å; I771-T774 PolarHBondContact O-OG1 3.35Å; I771-A900 HydrophobicContact CD1-CB 4.18Å; I771-A900 HydrophobicContact CG2-CB 4.43Å; I771-A904 HydrophobicContact CG2-CB 4Å | ||
| 772 | A | 47.8 | Very low | 53 | Low | 66 Ų | 66 | 94.3 Ų | 94.3 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 119.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | G770 L907 | G770-A772 PolarHBondContact O-N 3.15Å; A772-L907 HydrophobicContact CB-CD1 4.38Å |
| 773 | G | 55.9 | Low | 50.9 | Low | 39 Ų | 39 | 101.1 Ų | 101.1 | 40% | 0.402 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.6 | 28 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I771 K903 | I771-G773 PolarHBondContact O-N 3.21Å; I771-G773 VanDerWaalsContact O-N 3.13Å; G773-K903 PolarHBondContact O-NZ 3.49Å |
| 774 | T | 58.2 | Low | 48.9 | Very low | 40 Ų | 40 | 107.2 Ų | 107.2 | 25% | 0.245 | 59% | 0.594 | C | S | . | * | trans | -103.2 | -2.1 | 158.7 | 59 | 0 | 0 | 0 | 0 | 113.5 | L766 I771 | L766-T774 HydrophobicContact CB-CG2 4.48Å; L766-T774 PolarHBondContact O-OG1 3Å; I771-T774 HydrophobicContact CB-CG2 3.92Å; I771-T774 HydrophobicContact CG2-CG2 4.05Å; I771-T774 PolarHBondContact O-N 2.69Å; I771-T774 VanDerWaalsContact O-N 3.14Å; I771-T774 PolarHBondContact O-OG1 3.35Å | ||
| 775 | T | 47.2 | Very low | 46.9 | Very low | 97 Ų | 97 | 107.7 Ų | 107.7 | 60% | 0.595 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -78.9 | 140.3 | 167.3 | 48.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 776 | S | 42 | Very low | 45.1 | Very low | 127 Ų | 127 | 110.8 Ų | 110.8 | 89% | 0.888 | 64% | 0.641 | S | S | * | * | trans | -91 | 101.5 | 172.5 | -64.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 777 | D | 36.8 | Very low | 43.3 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -96 | 116.4 | 167.3 | -72.2 | -66.8 | 0 | 0 | 0 | 109.5 | ||
| 778 | E | 31.8 | Very low | 41.6 | Very low | 186 Ų | 186 | 117 Ų | 117 | 87% | 0.869 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 144.5 | 159.2 | -80.3 | -164.1 | 109.4 | 0 | 0 | 109.5 | E780 | E778-E780 PolarHBondContact O-N 2.67Š|
| 779 | P | 40.5 | Very low | 40.2 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 127.1 | 177.8 | 29.6 | -33.6 | 0 | 0 | 0 | 111.2 | ||
| 780 | E | 32.5 | Very low | 38.7 | Very low | 189 Ų | 189 | 122.5 Ų | 122.5 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 137.5 | 175 | -64.7 | -174.9 | 128 | 0 | 0 | 112 | E778 | E778-E780 PolarHBondContact O-N 2.67Š|
| 781 | R | 29.3 | Very low | 37.1 | Very low | 230 Ų | 230 | 129 Ų | 129 | 87% | 0.868 | 70% | 0.704 | S | S | * | * | trans | -112.1 | 104.1 | 162.7 | -168.1 | 175.7 | -176.3 | 180 | 0.3 | 110 | E783 | R781-E783 PolarHBondContact O-N 2.98Š| ||
| 782 | I | 34.5 | Very low | 35.4 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -64.2 | 125.1 | 170.8 | -58.4 | 163.4 | 0 | 0 | 0 | 109.2 | ||||
| 783 | E | 26.9 | Very low | 34.5 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -149.6 | 176.8 | 143.1 | -78.7 | -148.8 | 167.2 | 0 | 0 | 109.3 | R781 | R781-E783 PolarHBondContact O-N 2.98Š| ||
| 784 | E | 29.9 | Very low | 33.2 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -112.2 | 163.1 | -150.1 | -142.4 | -163.3 | 110.5 | 0 | 0 | 114.9 | ||||
| 785 | S | 27.8 | Very low | 31.8 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 49.5 | 114.8 | 148 | -73.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 786 | G | 30.1 | Very low | 30.9 | Very low | 76 Ų | 76 | 146.4 Ų | 146.4 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | 86.5 | 91.8 | 115.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 787 | N | 30.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | 73.6 | 118.7 | 134.2 | -154.5 | 83.3 | 0 | 0 | 0 | 121.6 | ||||
| 788 | D | 29.6 | Very low | 29.9 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 76.9 | 140.2 | 153.3 | -84.3 | -39.1 | 0 | 0 | 0 | 124.6 | ||||
| 789 | E | 30.1 | Very low | 29.8 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 60.6 | 125.8 | 151.2 | -60.9 | -127.4 | 108.2 | 0 | 0 | 124.6 | ||||
| 790 | A | 29.2 | Very low | 29.6 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 67.6 | 87.5 | 132.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 791 | R | 25.2 | Very low | 29.6 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -13.4 | 136.7 | 138.4 | 168 | -176.4 | 177.9 | -173.5 | 1.6 | 117.6 | E793 | R791-E793 IonicContact CZ-OE1 2.84Å; R791-E793 VanDerWaalsContact CZ-OE1 3.29Å; R791-E793 IonicContact NE-OE1 2.73Å; R791-E793 PolarHBondContact NE-OE1 3.28Å; R791-E793 IonicContact NH2-OE1 2.68Å; R791-E793 PolarHBondContact NH2-OE1 3.18Å | ||
| 792 | V | 28 | Very low | 29.3 | Very low | 132 Ų | 132 | 140 Ų | 140 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | -162.1 | 160.5 | 123.3 | 137.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 793 | E | 27.8 | Very low | 29.7 | Very low | 138 Ų | 138 | 138 Ų | 138 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | trans | -87.5 | 165 | -158.6 | -62.2 | 125.3 | -153.5 | 0 | 0 | 117.2 | R791 | R791-E793 IonicContact CZ-OE1 2.84Å; R791-E793 VanDerWaalsContact CZ-OE1 3.29Å; R791-E793 IonicContact NE-OE1 2.73Å; R791-E793 PolarHBondContact NE-OE1 3.28Å; R791-E793 IonicContact NH2-OE1 2.68Å; R791-E793 PolarHBondContact NH2-OE1 3.18Å | ||
| 794 | G | 28.4 | Very low | 29.7 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | 135 | 93.9 | 117.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 795 | Q | 30.2 | Very low | 29.7 | Very low | 204 Ų | 204 | 136.6 Ų | 136.6 | 95% | 0.953 | 75% | 0.745 | S | S | * | * | 59.7 | 120.6 | 127.3 | -176.5 | 175.6 | 78.1 | 0 | 0 | 123.2 | |||||
| 796 | A | 27.7 | Very low | 30.3 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -174.6 | 167.6 | 136.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 797 | T | 29.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -125.2 | 157.5 | -174.6 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 798 | D | 27.8 | Very low | 30.3 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | 172.7 | 179.9 | 105.7 | -126 | -47 | 0 | 0 | 0 | 116.8 | |||||
| 799 | E | 31 | Very low | 30.2 | Very low | 137 Ų | 137 | 141 Ų | 141 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | trans | -69.4 | 167.8 | -156.8 | -91.8 | -168 | 134.7 | 0 | 0 | 127.1 | ||||
| 800 | K | 35 | Very low | 30.1 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | trans | 77.9 | 151.6 | 142.8 | -83.3 | 172.9 | 170.9 | 83.8 | 0 | 120.3 | ||||
| 801 | K | 32.1 | Very low | 30.2 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 67% | 0.665 | 75% | 0.754 | S | S | * | * | cis | -162.2 | 137.7 | 6.9 | -142.4 | 171.3 | -178.5 | -88.8 | 0 | 114.4 | ||||
| 802 | E | 23.6 | Very low | 30.5 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | 45.9 | 166.6 | 142.3 | -75 | -175.7 | 122.4 | 0 | 0 | 125.7 | ||||
| 803 | P | 43.9 | Very low | 30.6 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -144.9 | 169 | -35 | 40.6 | -22.1 | 0 | 0 | 0 | 119 | ||||
| 804 | K | 27 | Very low | 30.7 | Very low | 175 Ų | 175 | 134 Ų | 134 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | 64.3 | 116.6 | 145.7 | -85.8 | -179.2 | 172 | -86.1 | 0 | 127.1 | ||||
| 805 | E | 28.2 | Very low | 30.7 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | 55.2 | 165.1 | 122.2 | -71.1 | -176.2 | 126.5 | 0 | 0 | 125.1 | |||||
| 806 | P | 40.4 | Very low | 30.5 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -126 | 150.2 | -28 | 28.6 | -8.9 | 0 | 0 | 0 | 113.9 | ||||
| 807 | R | 30.4 | Very low | 30.6 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | 63.3 | 126.9 | 70.1 | -76.6 | -160.9 | 86.1 | -155 | -1.3 | 115.4 | |||||
| 808 | E | 30.4 | Very low | 30.5 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | cis | -148.6 | -152.1 | -13.7 | -60.7 | -170.2 | -43.1 | 0 | 0 | 108.7 | ||||
| 809 | G | 27.4 | Very low | 30.5 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | cis | 170.1 | 174.8 | 4.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 810 | G | 28.4 | Very low | 30.4 | Very low | 90 Ų | 90 | 124.2 Ų | 124.2 | 93% | 0.928 | 68% | 0.678 | S | S | * | * | trans | 170.5 | 169.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 811 | G | 31.3 | Very low | 29.9 | Very low | 79 Ų | 79 | 119.9 Ų | 119.9 | 81% | 0.814 | 67% | 0.665 | S | S | * | * | trans | 137.8 | 72.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 812 | A | 31.7 | Very low | 29.5 | Very low | 104 Ų | 104 | 117 Ų | 117 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | trans | 65.3 | -177.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 813 | I | 30.7 | Very low | 29.5 | Very low | 155 Ų | 155 | 118.4 Ų | 118.4 | 80% | 0.795 | 67% | 0.671 | S | S | * | * | cis | -154.9 | 178.4 | 5.5 | -151 | 166.6 | 0 | 0 | 0 | 113.4 | ||||
| 814 | E | 28.9 | Very low | 28.5 | Very low | 172 Ų | 172 | 117.7 Ų | 117.7 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -57.2 | 163 | 172.4 | -75.7 | 162 | -171.5 | 0 | 0 | 117 | ||||
| 815 | E | 29.6 | Very low | 29.2 | Very low | 163 Ų | 163 | 114.7 Ų | 114.7 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | cis | -164.7 | 160.2 | -17.6 | -163.4 | -172.8 | -149.6 | 0 | 0 | 109.3 | ||||
| 816 | E | 25 | Very low | 29.1 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 45% | 0.453 | 68% | 0.678 | S | S | . | * | trans | 46.1 | 154.4 | 153.3 | -92.6 | -166.9 | -175.7 | 0 | 0 | 124.8 | A1197 A1198 A1199 | E816-A1197 HydrophobicContact CB-CB 3.9Å; E816-A1197 HydrophobicContact CG-CB 3.79Å; E816-A1197 WeakPolarHBondContact OE2-CA 3.3Å; E816-A1197 WeakPolarHBondContact OE2-CB 3.5Å; E816-A1198 WeakPolarHBondContact OE1-CA 3.44Å; E816-A1198 PolarHBondContact OE1-N 2.98Å; E816-A1198 PolarHBondContact OE2-N 2.58Å; E816-A1198 VanDerWaalsContact OE2-N 3.15Å; E816-A1199 PolarHBondContact OE1-N 2.58Å | ||
| 817 | A | 29.9 | Very low | 28.4 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | -162.1 | -168.8 | -73.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1197 | A817-A1197 HydrophobicContact CB-CB 3.66Š| |||
| 818 | K | 28.5 | Very low | 28 | Very low | 122 Ų | 122 | 114.7 Ų | 114.7 | 53% | 0.53 | 67% | 0.669 | S | S | . | * | trans | 85.7 | 147.4 | 156.9 | -70.6 | -173.5 | 171.9 | -124.6 | 0 | 122 | A1197 A1198 | K818-A1197 HydrophobicContact CB-CB 4.23Å; K818-A1197 HydrophobicContact CD-CB 3.71Å; K818-A1197 HydrophobicContact CG-CB 3.77Å; K818-A1198 VanDerWaalsContact CE-O 3.25Å; K818-A1198 WeakPolarHBondContact CE-O 3.41Å | ||
| 819 | E | 27.8 | Very low | 27.7 | Very low | 65 Ų | 65 | 115.9 Ų | 115.9 | 30% | 0.304 | 67% | 0.674 | S | S | . | * | cis | 169.9 | 151.3 | -10.4 | 173.8 | -146 | 104 | 0 | 0 | 112.4 | K725 E729 | K725-E819 WeakPolarHBondContact CE-OE1 3.5Å; K725-E819 VanDerWaalsContact NZ-C 3.26Å; K725-E819 VanDerWaalsContact NZ-CB 3.25Å; K725-E819 PolarHBondContact NZ-O 2.97Å; K725-E819 IonicContact NZ-OE1 3.66Å; K725-E819 PolarHBondContact NZ-OE1 3.36Å; K725-E819 IonicContact NZ-OE2 3.88Å; E729-E819 VanDerWaalsContact OE1-CA 3.23Å; E729-E819 WeakPolarHBondContact OE1-CA 3.34Å; E729-E819 PolarHBondContact OE1-N 2.62Å; E729-E819 VanDerWaalsContact OE1-O 3.11Å | ||
| 820 | K | 28 | Very low | 27.6 | Very low | 66 Ų | 66 | 119 Ų | 119 | 29% | 0.287 | 67% | 0.668 | S | S | . | * | trans | 74.8 | 146.3 | 165.3 | -72.1 | -163.7 | -156.6 | 172.7 | 0 | 119.7 | S721 K725 E729 | S721-K820 VanDerWaalsContact C-NZ 3.35Å; S721-K820 WeakPolarHBondContact O-CD 3.36Å; S721-K820 PolarHBondContact O-NZ 2.84Å; S721-K820 PolarHBondContact OG-NZ 3.45Å; K725-K820 HydrophobicContact CB-CB 3.88Å; K725-K820 HydrophobicContact CB-CD 4.23Å; K725-K820 HydrophobicContact CD-CD 4.3Å; E729-K820 VanDerWaalsContact CD-O 3.27Å; E729-K820 PolarHBondContact OE1-N 3.18Å | ||
| 821 | T | 25.3 | Very low | 27.6 | Very low | 61 Ų | 61 | 122.7 Ų | 122.7 | 37% | 0.374 | 66% | 0.659 | S | S | . | * | cis | -169.9 | 165.5 | 2.4 | 15.6 | 0 | 0 | 0 | 0 | 114.5 | A722 S726 | A722-T821 WeakPolarHBondContact CA-OG1 3.26Å; A722-T821 HydrophobicContact CB-CG2 4.05Å; A722-T821 WeakPolarHBondContact CB-OG1 3.44Å; A722-T821 PolarHBondContact O-OG1 3.26Å; A722-T821 VanDerWaalsContact O-OG1 3.1Å; S726-T821 PolarHBondContact OG-N 2.95Å; S726-T821 PolarHBondContact OG-O 2.96Å; S726-T821 PolarHBondContact OG-OG1 3.17Å | ||
| 822 | S | 23.6 | Very low | 27.4 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | trans | 68 | 153.6 | 147 | 53 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 823 | E | 22.5 | Very low | 27.6 | Very low | 177 Ų | 177 | 125 Ų | 125 | 83% | 0.827 | 65% | 0.648 | S | S | * | * | cis | -175.2 | 122.6 | -18.8 | 173.6 | 172.6 | -170.1 | 0 | 0 | 113.2 | ||||
| 824 | A | 22.7 | Very low | 27.5 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 74% | 0.744 | 64% | 0.64 | S | S | * | * | trans | 52.8 | -173.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 825 | P | 42.5 | Very low | 27.8 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | cis | -134.8 | -176.7 | -19.5 | 37.4 | -18.4 | 0 | 0 | 0 | 116.8 | ||||
| 826 | K | 26.1 | Very low | 27.8 | Very low | 189 Ų | 189 | 117.3 Ų | 117.3 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | trans | 103.1 | 114.8 | 162.2 | -65.6 | -177.9 | 179.9 | -179 | 0 | 117.8 | ||||
| 827 | K | 24.8 | Very low | 28.4 | Very low | 169 Ų | 169 | 117.3 Ų | 117.3 | 74% | 0.735 | 64% | 0.639 | S | S | * | * | 83.8 | 136.6 | 81.4 | -80.5 | -165.3 | 141.7 | -72.4 | 0 | 113.2 | |||||
| 828 | D | 24.1 | Very low | 28.5 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | cis | -156.1 | 162 | 1.7 | -83.8 | -42.9 | 0 | 0 | 0 | 111.4 | ||||
| 829 | E | 23.1 | Very low | 28.8 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 86% | 0.855 | 65% | 0.651 | S | S | * | * | trans | 50.7 | 151.5 | 145.2 | -76.5 | 172.7 | 177.5 | 0 | 0 | 122.9 | ||||
| 830 | E | 25.1 | Very low | 28.9 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | cis | -160.6 | 153.4 | -15.4 | -151.8 | -147.4 | 174.6 | 0 | 0 | 111.6 | ||||
| 831 | K | 27.7 | Very low | 28.7 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 74% | 0.735 | 70% | 0.697 | S | S | * | * | trans | 54.6 | 156.1 | 164.5 | -77.6 | -173.8 | -171.8 | 88.7 | 0 | 119.5 | ||||
| 832 | G | 28.6 | Very low | 28.9 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | cis | -171.3 | -157.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 833 | K | 35.4 | Very low | 29.2 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 70% | 0.7 | 71% | 0.712 | S | S | * | * | cis | -165.7 | 167.9 | -17.9 | -138.7 | -151.3 | 128.9 | -164 | 0 | 103.7 | ||||
| 834 | E | 28.3 | Very low | 29.4 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | cis | -115.3 | -141.1 | 8.2 | -41 | -126.8 | 138.5 | 0 | 0 | 110.3 | ||||
| 835 | G | 35.6 | Very low | 29.6 | Very low | 62 Ų | 62 | 134.6 Ų | 134.6 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | cis | 89.7 | 166.6 | 3.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 836 | D | 30.2 | Very low | 28.9 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | cis | -165 | 160.5 | -6.9 | -130.6 | 68.7 | 0 | 0 | 0 | 110.9 | ||||
| 837 | S | 36.1 | Very low | 28.8 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | cis | -103.8 | -106.4 | -13.2 | -39 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 838 | E | 32.5 | Very low | 29.3 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | cis | -151.8 | 158.7 | -10.7 | -93.1 | -157 | 172.2 | 0 | 0 | 104.9 | ||||
| 839 | K | 36.1 | Very low | 29.5 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 65% | 0.652 | 71% | 0.713 | S | S | * | * | cis | -162.2 | 167.1 | -0.6 | -122.1 | -178.8 | -166.4 | 129.1 | 0 | 106.2 | ||||
| 840 | E | 27.9 | Very low | 29.9 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | cis | -124.9 | -170.6 | 0.8 | -59.7 | -163.8 | 133.2 | 0 | 0 | 108.4 | ||||
| 841 | S | 25.7 | Very low | 29.9 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | cis | -146.3 | 161.6 | 8.4 | 55.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 842 | E | 28.4 | Very low | 30.5 | Very low | 153 Ų | 153 | 124 Ų | 124 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | trans | 4.2 | 136.5 | 167.9 | -51.8 | -153.1 | 152.6 | 0 | 0 | 119.4 | ||||
| 843 | K | 31 | Very low | 30.6 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | cis | -174 | -179 | 10 | -117.1 | 173.9 | -165 | 143.7 | 0 | 107.9 | ||||
| 844 | S | 26.1 | Very low | 30.7 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | cis | -170.2 | 158.1 | -0.6 | 39 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 845 | D | 26.9 | Very low | 30.9 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | cis | -167.9 | 122.3 | -22.7 | -83 | -37.7 | 0 | 0 | 0 | 104.2 | ||||
| 846 | G | 27.5 | Very low | 30.5 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 88% | 0.876 | 71% | 0.713 | S | S | * | * | trans | 171.5 | 70.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 847 | D | 23.1 | Very low | 31.3 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -70.6 | 178.9 | 161.4 | -139.4 | 12 | 0 | 0 | 0 | 110.4 | ||||
| 848 | P | 35.9 | Very low | 31.8 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | cis | -144.3 | 178.7 | -0.3 | 44.8 | -25.6 | 0 | 0 | 0 | 117.7 | ||||
| 849 | I | 27.5 | Very low | 31.8 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | 30.5 | 139.2 | 133 | -53.4 | 162.1 | 0 | 0 | 0 | 120.5 | ||||
| 850 | V | 33.2 | Very low | 31.4 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | 154.6 | 114.5 | 134 | 164.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 851 | D | 25.1 | Very low | 31.5 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | trans | -89.2 | 137.2 | 149.1 | 175.7 | 68.9 | 0 | 0 | 0 | 106.1 | ||||
| 852 | P | 39.1 | Very low | 31.6 | Very low | 92 Ų | 92 | 136 Ų | 136 | 60% | 0.597 | 73% | 0.727 | S | S | * | * | -156.8 | -172.6 | 64.6 | 39.1 | -14.8 | 0 | 0 | 0 | 119 | |||||
| 853 | E | 30.8 | Very low | 31.6 | Very low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | trans | 109.9 | 105.6 | 151.1 | -59.2 | -131.2 | 99.6 | 0 | 0 | 120.7 | ||||
| 854 | K | 38.2 | Very low | 31.5 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 37.6 | 126.7 | 134.9 | -60.3 | 172.8 | -172.4 | 128.1 | 0 | 121.1 | ||||
| 855 | E | 32 | Very low | 31.5 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | -174.4 | 145.3 | 93.3 | -97 | -149.3 | 138.1 | 0 | 0 | 115.4 | |||||
| 856 | K | 27.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | trans | 61 | 122 | 150 | -65.8 | -179.3 | 176.5 | 105.4 | 0 | 123.4 | ||||
| 857 | E | 47.8 | Very low | 31.1 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 34.2 | 154.7 | 132.3 | -61.5 | -161.9 | 126.7 | 0 | 0 | 123.4 | ||||
| 858 | P | 46.8 | Very low | 31.1 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | cis | -135 | 163 | -35 | 38.3 | -22.7 | 0 | 0 | 0 | 112.8 | ||||
| 859 | K | 32.7 | Very low | 30.4 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | cis | -158.1 | 148 | -4.9 | -122.1 | -174.4 | 171.4 | -171.7 | 0 | 110.7 | ||||
| 860 | E | 27.4 | Very low | 30.3 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -4.1 | 150.1 | 160.8 | -58.2 | 145.6 | 146.7 | 0 | 0 | 120 | ||||
| 861 | G | 29.5 | Very low | 29.8 | Very low | 63 Ų | 63 | 148.8 Ų | 148.8 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | cis | 163.9 | 140 | 2.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 862 | Q | 28.5 | Very low | 29.9 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | 62.8 | 139.8 | 77.7 | -92.1 | 175.1 | -49.9 | 0 | 0 | 114.5 | |||||
| 863 | E | 28.4 | Very low | 29.4 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | cis | -166.7 | -173.4 | 5.1 | -147.7 | 158 | -144.4 | 0 | 0 | 114.3 | ||||
| 864 | E | 28.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 70.9 | 119.9 | 149.4 | -70.3 | -125.3 | 111.6 | 0 | 0 | 127 | ||||
| 865 | V | 26.1 | Very low | 29 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | 41.8 | 133.7 | 118.3 | -171 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 866 | L | 25.2 | Very low | 28.8 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -15.1 | 130.5 | 160.6 | -63.6 | 160.3 | 0 | 0 | 0 | 121.7 | ||||
| 867 | K | 21 | Very low | 29.4 | Very low | 208 Ų | 208 | 155 Ų | 155 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | -172.2 | 175 | 115.5 | -110.3 | 173 | -178.5 | 174.3 | 0 | 115.3 | |||||
| 868 | E | 23 | Very low | 28.6 | Very low | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -78.9 | -172.2 | -178.1 | -59.1 | 174.5 | 101.4 | 0 | 0 | 114.6 | ||||
| 869 | V | 21.4 | Very low | 28.2 | Very low | 132 Ų | 132 | 155.7 Ų | 155.7 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 95.3 | 99.8 | -176.6 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 870 | V | 23.8 | Very low | 28.1 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 66% | 0.655 | 79% | 0.79 | S | S | * | * | 79.3 | 117 | 53.4 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 871 | E | 24.2 | Very low | 28.9 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 65.2 | 149.7 | 163.8 | -77.1 | 165 | -155.2 | 0 | 0 | 117.9 | ||||
| 872 | S | 27 | Very low | 29.4 | Very low | 107 Ų | 107 | 159.4 Ų | 159.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | cis | -153 | 175.2 | -9.4 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 873 | E | 28.8 | Very low | 30.2 | Very low | 197 Ų | 197 | 159.1 Ų | 159.1 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -34.4 | 152 | 175.9 | -50.6 | -171.6 | 107.5 | 0 | 0 | 118.8 | ||||
| 874 | G | 26.9 | Very low | 31.4 | Very low | 78 Ų | 78 | 156 Ų | 156 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 179.8 | 84.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 875 | E | 32.2 | Very low | 32.5 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -37.9 | 140.8 | -176.7 | -52.3 | -179.3 | 101.1 | 0 | 0 | 117.5 | ||||
| 876 | R | 29 | Very low | 34 | Very low | 237 Ų | 237 | 150.5 Ų | 150.5 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | -172.6 | 160.1 | 109.6 | -98.7 | 154.8 | -165.2 | -161.8 | 3.8 | 114.8 | |||||
| 877 | K | 40.1 | Very low | 35.6 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -83.2 | 121.4 | -171.1 | -59 | 167.8 | -176.3 | 172.2 | 0 | 112.2 | ||||
| 878 | T | 29.5 | Very low | 38 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -142.9 | 132.8 | 152.2 | 26.8 | 0 | 0 | 0 | 0 | 111.1 | V880 | T878-V880 PolarHBondContact O-N 2.9Š| ||
| 879 | K | 39.4 | Very low | 40.5 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | trans | -66.2 | 122.6 | 177 | -177.2 | -161.6 | -174.7 | -140.9 | 0 | 110.3 | E881 | K879-E881 WeakPolarHBondContact CE-OE1 3.44Å; K879-E881 VanDerWaalsContact CE-OE2 3.3Å; K879-E881 WeakPolarHBondContact CE-OE2 3.49Å; K879-E881 IonicContact NZ-OE1 2.7Å; K879-E881 PolarHBondContact NZ-OE1 2.99Å; K879-E881 IonicContact NZ-OE2 3.6Å; K879-E881 PolarHBondContact NZ-OE2 3.24Å | ||
| 880 | V | 30.8 | Very low | 43 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 70% | 0.703 | 67% | 0.673 | S | S | * | * | trans | -136.3 | 113.9 | 163.4 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | T878 | T878-V880 PolarHBondContact O-N 2.9Š| ||
| 881 | E | 43.1 | Very low | 45.6 | Very low | 144 Ų | 144 | 128 Ų | 128 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | trans | -66.8 | 137.5 | 165.8 | -78.6 | 129.8 | 150.5 | 0 | 0 | 109.4 | K879 | K879-E881 WeakPolarHBondContact CE-OE1 3.44Å; K879-E881 VanDerWaalsContact CE-OE2 3.3Å; K879-E881 WeakPolarHBondContact CE-OE2 3.49Å; K879-E881 IonicContact NZ-OE1 2.7Å; K879-E881 PolarHBondContact NZ-OE1 2.99Å; K879-E881 IonicContact NZ-OE2 3.6Å; K879-E881 PolarHBondContact NZ-OE2 3.24Å | ||
| 882 | R | 41 | Very low | 48.2 | Very low | 229 Ų | 229 | 121 Ų | 121 | 86% | 0.864 | 64% | 0.643 | S | S | * | * | trans | -124.5 | 110.8 | 165.1 | -79.9 | -173.7 | 170.6 | 134.8 | -2.4 | 108.1 | I884 | R882-I884 PolarHBondContact O-N 2.99Š| ||
| 883 | D | 45.9 | Very low | 50.6 | Low | 163 Ų | 163 | 115.9 Ų | 115.9 | 87% | 0.872 | 61% | 0.608 | S | S | * | * | trans | -57.8 | 125.2 | 168.9 | -77.4 | -54.9 | 0 | 0 | 0 | 109.9 | G885 | D883-G885 PolarHBondContact O-N 3.19Š| ||
| 884 | I | 51.8 | Low | 53.1 | Low | 85 Ų | 85 | 107.8 Ų | 107.8 | 44% | 0.436 | 57% | 0.574 | S | S | . | * | trans | -80 | 98.7 | 163.7 | -57.2 | -177.3 | 0 | 0 | 0 | 105.8 | A760 R882 E886 N888 L889 | A760-I884 HydrophobicContact CB-CD1 4.14Å; R882-I884 PolarHBondContact O-N 2.99Å; I884-E886 PolarHBondContact O-N 3.09Å; I884-N888 HydrophobicContact CG2-CB 3.77Å; I884-L889 HydrophobicContact CG2-CB 3.98Å | ||
| 885 | G | 52.7 | Low | 55.7 | Low | 44 Ų | 44 | 106.9 Ų | 106.9 | 45% | 0.454 | 56% | 0.559 | S | S | . | * | trans | -53.6 | 138.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D883 G887 N888 | D883-G885 PolarHBondContact O-N 3.19Å; G885-G887 VanDerWaalsContact C-N 3.25Å; G885-G887 PolarHBondContact O-N 3.37Å; G885-N888 WeakPolarHBondContact O-CB 3.36Å; G885-N888 PolarHBondContact O-N 3.16Å | ||
| 886 | E | 57.7 | Low | 58 | Low | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -50.5 | -38.6 | -160.4 | -66.1 | -178.4 | 112.5 | 0 | 0 | 114.5 | K755 I884 N888 L889 S890 | K755-E886 WeakPolarHBondContact CE-OE1 3.48Å; K755-E886 IonicContact NZ-OE1 2.78Å; K755-E886 PolarHBondContact NZ-OE1 3.22Å; I884-E886 PolarHBondContact O-N 3.09Å; E886-N888 VanDerWaalsContact C-N 3.33Å; E886-N888 PolarHBondContact O-N 2.88Å; E886-L889 PolarHBondContact O-N 2.75Å; E886-S890 PolarHBondContact O-N 2.97Å |
| 887 | G | 58.3 | Low | 60.6 | Low | 50 Ų | 50 | 89.5 Ų | 89.5 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -37.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G885 T891 | G885-G887 VanDerWaalsContact C-N 3.25Å; G885-G887 PolarHBondContact O-N 3.37Å; G887-T891 PolarHBondContact O-N 2.92Å; G887-T891 VanDerWaalsContact O-N 3.12Å; G887-T891 PolarHBondContact O-OG1 3.18Å; G887-T891 VanDerWaalsContact O-OG1 3.08Å |
| 888 | N | 71.3 | Confident | 62.5 | Low | 119 Ų | 119 | 81.8 Ų | 81.8 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.6 | -34.4 | 178.1 | -70.5 | -3.6 | 0 | 0 | 0 | 111.7 | I884 G885 E886 A892 | I884-N888 HydrophobicContact CG2-CB 3.77Å; G885-N888 WeakPolarHBondContact O-CB 3.36Å; G885-N888 PolarHBondContact O-N 3.16Å; E886-N888 VanDerWaalsContact C-N 3.33Å; E886-N888 PolarHBondContact O-N 2.88Å; N888-A892 VanDerWaalsContact O-CB 3.29Å; N888-A892 WeakPolarHBondContact O-CB 3.44Å; N888-A892 PolarHBondContact O-N 2.85Å |
| 889 | L | 74.8 | Confident | 65 | Low | 9 Ų | 9 | 78.6 Ų | 78.6 | 5% | 0.047 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 176.8 | -178.4 | 55.9 | 0 | 0 | 0 | 111 | V750 E751 A754 A760 P762 I884 E886 A892 A893 | V750-L889 HydrophobicContact CG1-CD1 3.52Å; V750-L889 HydrophobicContact CG1-CD2 4.09Å; V750-L889 HydrophobicContact CG1-CG 3.8Å; E751-L889 HydrophobicContact CG-CD2 4.48Å; A754-L889 HydrophobicContact CB-CD2 3.81Å; A760-L889 HydrophobicContact CB-CD1 3.86Å; A760-L889 HydrophobicContact CB-CD2 3.85Å; A760-L889 HydrophobicContact CB-CG 4.44Å; P762-L889 HydrophobicContact CG-CD1 4.19Å; I884-L889 HydrophobicContact CG2-CB 3.98Å; E886-L889 PolarHBondContact O-N 2.75Å; L889-A892 PolarHBondContact O-N 2.7Å; L889-A893 WeakPolarHBondContact O-CB 3.47Å; L889-A893 PolarHBondContact O-N 3.06Å |
| 890 | S | 74.6 | Confident | 67 | Low | 40 Ų | 40 | 71.3 Ų | 71.3 | 28% | 0.28 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | V747 E886 A892 A893 A894 | V747-S890 VanDerWaalsContact CG1-OG 3.3Å; V747-S890 WeakPolarHBondContact CG1-OG 3.43Å; V747-S890 WeakPolarHBondContact CG2-O 3.49Å; E886-S890 PolarHBondContact O-N 2.97Å; S890-A892 PolarHBondContact O-N 2.7Å; S890-A893 PolarHBondContact O-N 3.3Å; S890-A894 WeakPolarHBondContact O-CB 3.42Å; S890-A894 PolarHBondContact O-N 3.33Å |
| 891 | T | 78.4 | Confident | 69.4 | Low | 96 Ų | 96 | 67.4 Ų | 67.4 | 59% | 0.589 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 176.7 | -53.1 | 0 | 0 | 0 | 0 | 112.5 | G887 A894 A895 | G887-T891 PolarHBondContact O-N 2.92Å; G887-T891 VanDerWaalsContact O-N 3.12Å; G887-T891 PolarHBondContact O-OG1 3.18Å; G887-T891 VanDerWaalsContact O-OG1 3.08Å; T891-A894 PolarHBondContact O-N 3.25Å; T891-A895 WeakPolarHBondContact O-CB 3.27Å; T891-A895 PolarHBondContact O-N 3.17Å |
| 892 | A | 78.2 | Confident | 71.4 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 31% | 0.314 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P762 N888 L889 S890 A895 A896 | P762-A892 HydrophobicContact CB-CB 3.94Å; P762-A892 HydrophobicContact CG-CB 3.65Å; N888-A892 VanDerWaalsContact O-CB 3.29Å; N888-A892 WeakPolarHBondContact O-CB 3.44Å; N888-A892 PolarHBondContact O-N 2.85Å; L889-A892 PolarHBondContact O-N 2.7Å; S890-A892 PolarHBondContact O-N 2.7Å; A892-A895 PolarHBondContact O-N 3.33Å; A892-A896 WeakPolarHBondContact O-CB 3.4Å; A892-A896 PolarHBondContact O-N 3.4Å |
| 893 | A | 79.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H746 V747 V750 L889 S890 A896 L897 | H746-A893 PolarHBondContact CD2-O 3.12Å; V747-A893 HydrophobicContact CG2-CB 4.12Å; V750-A893 HydrophobicContact CB-CB 4.05Å; V750-A893 HydrophobicContact CG1-CB 4.1Å; V750-A893 HydrophobicContact CG2-CB 3.91Å; L889-A893 WeakPolarHBondContact O-CB 3.47Å; L889-A893 PolarHBondContact O-N 3.06Å; S890-A893 PolarHBondContact O-N 3.3Å; A893-A896 PolarHBondContact O-N 3.3Å; A893-L897 PolarHBondContact O-N 3.06Å |
| 894 | A | 79.7 | Confident | 75.2 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V743 V747 S890 T891 L897 A898 | V743-A894 HydrophobicContact CG1-CB 3.44Å; V743-A894 VanDerWaalsContact CG1-CB 3.44Å; V747-A894 HydrophobicContact CG2-CB 4.37Å; S890-A894 WeakPolarHBondContact O-CB 3.42Å; S890-A894 PolarHBondContact O-N 3.33Å; T891-A894 PolarHBondContact O-N 3.25Å; A894-L897 PolarHBondContact O-N 3.06Å; A894-A898 WeakPolarHBondContact O-CB 3.2Å; A894-A898 PolarHBondContact O-N 2.73Å |
| 895 | A | 81.3 | Confident | 76.7 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T891 A892 A898 A899 | T891-A895 WeakPolarHBondContact O-CB 3.27Å; T891-A895 PolarHBondContact O-N 3.17Å; A892-A895 PolarHBondContact O-N 3.33Å; A895-A898 PolarHBondContact O-N 2.64Å; A895-A899 WeakPolarHBondContact O-CB 3.32Å; A895-A899 PolarHBondContact O-N 2.89Å |
| 896 | A | 82 | Confident | 78.3 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 22% | 0.223 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P762 L766 A892 A893 A899 A900 | P762-A896 HydrophobicContact CB-CB 4.38Å; L766-A896 HydrophobicContact CD1-CB 4.14Å; A892-A896 WeakPolarHBondContact O-CB 3.4Å; A892-A896 PolarHBondContact O-N 3.4Å; A893-A896 PolarHBondContact O-N 3.3Å; A896-A899 PolarHBondContact O-N 2.78Å; A896-A900 WeakPolarHBondContact O-CB 3.44Å; A896-A900 PolarHBondContact O-N 3.35Å |
| 897 | L | 82.6 | Confident | 79.6 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 175 | -177.8 | 68.8 | 0 | 0 | 0 | 111.8 | V738 L742 V743 H746 L766 A893 A894 A900 A901 | V738-L897 HydrophobicContact CG1-CD2 3.98Å; V738-L897 HydrophobicContact CG1-CG 4.38Å; L742-L897 HydrophobicContact CB-CD2 4.47Å; V743-L897 HydrophobicContact CG2-CD2 4.27Å; H746-L897 HydrophobicContact CB-CD2 3.84Å; L766-L897 HydrophobicContact CD2-CB 4.46Å; L766-L897 HydrophobicContact CD2-CD1 3.66Å; A893-L897 PolarHBondContact O-N 3.06Å; A894-L897 PolarHBondContact O-N 3.06Å; L897-A900 PolarHBondContact O-N 3.33Å; L897-A901 WeakPolarHBondContact O-CB 3.45Å; L897-A901 PolarHBondContact O-N 3.31Å |
| 898 | A | 79.8 | Confident | 80.9 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A894 A895 A900 A901 V902 | A894-A898 WeakPolarHBondContact O-CB 3.2Å; A894-A898 PolarHBondContact O-N 2.73Å; A895-A898 PolarHBondContact O-N 2.64Å; A898-A900 PolarHBondContact O-N 3Å; A898-A901 PolarHBondContact O-N 2.73Å; A898-V902 WeakPolarHBondContact O-CG2 3.4Å; A898-V902 PolarHBondContact O-N 2.8Å |
| 899 | A | 81.8 | Confident | 81.6 | Confident | 65 Ų | 65 | 51.6 Ų | 51.6 | 54% | 0.537 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A895 A896 V902 K903 | A895-A899 WeakPolarHBondContact O-CB 3.32Å; A895-A899 PolarHBondContact O-N 2.89Å; A896-A899 PolarHBondContact O-N 2.78Å; A899-V902 PolarHBondContact O-N 3.26Å; A899-K903 WeakPolarHBondContact O-CB 3.44Å; A899-K903 PolarHBondContact O-N 3.07Å |
| 900 | A | 82.4 | Confident | 82.5 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I771 A896 L897 A898 K903 A904 | I771-A900 HydrophobicContact CD1-CB 4.18Å; I771-A900 HydrophobicContact CG2-CB 4.43Å; A896-A900 WeakPolarHBondContact O-CB 3.44Å; A896-A900 PolarHBondContact O-N 3.35Å; L897-A900 PolarHBondContact O-N 3.33Å; A898-A900 PolarHBondContact O-N 3Å; A900-K903 PolarHBondContact O-N 2.9Å; A900-A904 WeakPolarHBondContact O-CB 3.41Å; A900-A904 PolarHBondContact O-N 3.33Å |
| 901 | A | 81.1 | Confident | 83.3 | Confident | 34 Ų | 34 | 56 Ų | 56 | 28% | 0.281 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V738 L897 A898 A904 K905 | V738-A901 HydrophobicContact CG2-CB 3.4Å; V738-A901 VanDerWaalsContact CG2-CB 3.4Å; L897-A901 WeakPolarHBondContact O-CB 3.45Å; L897-A901 PolarHBondContact O-N 3.31Å; A898-A901 PolarHBondContact O-N 2.73Å; A901-A904 PolarHBondContact O-N 3.14Å; A901-K905 WeakPolarHBondContact O-CB 3.48Å; A901-K905 PolarHBondContact O-N 2.89Å |
| 902 | V | 84.1 | Confident | 83.9 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.2 | 170 | 0 | 0 | 0 | 0 | 111 | A898 A899 A904 K905 H906 | A898-V902 WeakPolarHBondContact O-CG2 3.4Å; A898-V902 PolarHBondContact O-N 2.8Å; A899-V902 PolarHBondContact O-N 3.26Å; V902-A904 PolarHBondContact O-N 3.12Å; V902-K905 PolarHBondContact O-N 3.11Å; V902-H906 PolarHBondContact O-N 3.13Å |
| 903 | K | 84.1 | Confident | 84.6 | Confident | 114 Ų | 114 | 61 Ų | 61 | 50% | 0.496 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 173.6 | -173.7 | -176.8 | 178.7 | -174.1 | 0 | 111.4 | G773 A899 A900 H906 L907 | G773-K903 PolarHBondContact O-NZ 3.49Å; A899-K903 WeakPolarHBondContact O-CB 3.44Å; A899-K903 PolarHBondContact O-N 3.07Å; A900-K903 PolarHBondContact O-N 2.9Å; K903-H906 PolarHBondContact O-N 3.46Å; K903-L907 WeakPolarHBondContact O-CG 3.46Å; K903-L907 PolarHBondContact O-N 2.99Å |
| 904 | A | 83.5 | Confident | 85.3 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 28% | 0.281 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I771 A900 A901 V902 H906 L907 A908 | I771-A904 HydrophobicContact CG2-CB 4Å; A900-A904 WeakPolarHBondContact O-CB 3.41Å; A900-A904 PolarHBondContact O-N 3.33Å; A901-A904 PolarHBondContact O-N 3.14Å; V902-A904 PolarHBondContact O-N 3.12Å; A904-H906 VanDerWaalsContact C-N 3.34Å; A904-H906 PolarHBondContact O-N 3.04Å; A904-L907 PolarHBondContact O-N 3.02Å; A904-A908 PolarHBondContact O-N 2.9Å |
| 905 | K | 83.2 | Confident | 86 | Confident | 88 Ų | 88 | 69.5 Ų | 69.5 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 175.2 | -177.8 | -178.7 | 173.8 | -172.6 | 0 | 111.8 | E736 A901 V902 A908 A909 | E736-K905 IonicContact OE1-NZ 2.67Å; E736-K905 PolarHBondContact OE1-NZ 2.88Å; E736-K905 IonicContact OE2-NZ 2.85Å; E736-K905 PolarHBondContact OE2-NZ 2.87Å; A901-K905 WeakPolarHBondContact O-CB 3.48Å; A901-K905 PolarHBondContact O-N 2.89Å; V902-K905 PolarHBondContact O-N 3.11Å; K905-A908 PolarHBondContact O-N 3.39Å; K905-A909 WeakPolarHBondContact O-CB 3.09Å; K905-A909 PolarHBondContact O-N 2.71Å |
| 906 | H | 86.4 | Confident | 86.6 | Confident | 118 Ų | 118 | 72.7 Ų | 72.7 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 173.6 | -173.2 | 99 | 0 | 0 | 0 | 111.8 | V902 K903 A904 A908 A909 V910 | V902-H906 PolarHBondContact O-N 3.13Å; K903-H906 PolarHBondContact O-N 3.46Å; A904-H906 VanDerWaalsContact C-N 3.34Å; A904-H906 PolarHBondContact O-N 3.04Å; H906-A908 VanDerWaalsContact C-N 3.35Å; H906-A908 PolarHBondContact O-N 3.33Å; H906-A909 CarbonylContact O-C 3.49Å; H906-A909 PolarHBondContact O-N 2.92Å; H906-V910 WeakPolarHBondContact O-CG2 3.5Å; H906-V910 PolarHBondContact O-N 3.1Å |
| 907 | L | 85.9 | Confident | 87.2 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 40% | 0.398 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.2 | -70 | 171.3 | 0 | 0 | 0 | 111.9 | A772 K903 A904 A909 V910 E911 | A772-L907 HydrophobicContact CB-CD1 4.38Å; K903-L907 WeakPolarHBondContact O-CG 3.46Å; K903-L907 PolarHBondContact O-N 2.99Å; A904-L907 PolarHBondContact O-N 3.02Å; L907-A909 PolarHBondContact O-N 3.35Å; L907-V910 PolarHBondContact O-N 3.17Å; L907-V910 VanDerWaalsContact O-N 3.16Å; L907-E911 PolarHBondContact O-N 3.47Å |
| 908 | A | 85.3 | Confident | 87.8 | Confident | 64 Ų | 64 | 79.6 Ų | 79.6 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A904 K905 H906 V910 E911 E912 | A904-A908 PolarHBondContact O-N 2.9Å; K905-A908 PolarHBondContact O-N 3.39Å; H906-A908 VanDerWaalsContact C-N 3.35Å; H906-A908 PolarHBondContact O-N 3.33Å; A908-V910 VanDerWaalsContact C-N 3.3Å; A908-V910 PolarHBondContact O-N 3.47Å; A908-E911 PolarHBondContact O-N 3.47Å; A908-E912 WeakPolarHBondContact O-CB 3.42Å; A908-E912 PolarHBondContact O-N 2.94Å |
| 909 | A | 86.3 | Confident | 88.6 | Confident | 37 Ų | 37 | 81.8 Ų | 81.8 | 31% | 0.306 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.4 | -21.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K905 H906 L907 R913 | K905-A909 WeakPolarHBondContact O-CB 3.09Å; K905-A909 PolarHBondContact O-N 2.71Å; H906-A909 CarbonylContact O-C 3.49Å; H906-A909 PolarHBondContact O-N 2.92Å; L907-A909 PolarHBondContact O-N 3.35Å; A909-R913 WeakPolarHBondContact O-CG 3.33Å; A909-R913 PolarHBondContact O-N 2.99Å; A909-R913 PolarHBondContact O-NE 2.87Å |
| 910 | V | 92 | Very high | 89.1 | Confident | 56 Ų | 56 | 81.5 Ų | 81.5 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -74.4 | -49 | 170.5 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | H906 L907 A908 E912 R913 K914 | H906-V910 WeakPolarHBondContact O-CG2 3.5Å; H906-V910 PolarHBondContact O-N 3.1Å; L907-V910 PolarHBondContact O-N 3.17Å; L907-V910 VanDerWaalsContact O-N 3.16Å; A908-V910 VanDerWaalsContact C-N 3.3Å; A908-V910 PolarHBondContact O-N 3.47Å; V910-E912 VanDerWaalsContact C-N 3.34Å; V910-E912 PolarHBondContact O-N 2.99Å; V910-R913 VanDerWaalsContact CG2-NH2 3.33Å; V910-R913 PolarHBondContact O-N 3.42Å; V910-K914 WeakPolarHBondContact O-CB 3.44Å; V910-K914 PolarHBondContact O-N 3.37Å |
| 911 | E | 91.8 | Very high | 89.8 | Confident | 86 Ų | 86 | 85.8 Ų | 85.8 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 176.4 | -74.1 | -60.1 | 147.9 | 0 | 0 | 112.3 | L907 A908 R913 K914 I915 | L907-E911 PolarHBondContact O-N 3.47Å; A908-E911 PolarHBondContact O-N 3.47Å; E911-R913 VanDerWaalsContact C-N 3.34Å; E911-R913 PolarHBondContact O-N 3.23Å; E911-K914 PolarHBondContact O-N 3Å; E911-K914 IonicContact OE1-NZ 3.41Å; E911-K914 PolarHBondContact OE1-NZ 2.97Å; E911-K914 WeakPolarHBondContact OE2-CD 3.41Å; E911-K914 WeakPolarHBondContact OE2-CE 3.14Å; E911-K914 IonicContact OE2-NZ 3.06Å; E911-K914 PolarHBondContact OE2-NZ 3.4Å; E911-I915 WeakPolarHBondContact O-CB 3.34Å; E911-I915 VanDerWaalsContact O-CG1 3.25Å; E911-I915 WeakPolarHBondContact O-CG1 3.49Å; E911-I915 PolarHBondContact O-N 2.89Å |
| 912 | E | 90.4 | Very high | 90.5 | Very high | 90 Ų | 90 | 89.3 Ų | 89.3 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 173.9 | -164.5 | -163.4 | 148.6 | 0 | 0 | 111.9 | A908 V910 K916 | A908-E912 WeakPolarHBondContact O-CB 3.42Å; A908-E912 PolarHBondContact O-N 2.94Å; V910-E912 VanDerWaalsContact C-N 3.34Å; V910-E912 PolarHBondContact O-N 2.99Å; E912-K916 WeakPolarHBondContact O-CB 3.36Å; E912-K916 VanDerWaalsContact O-CG 3.3Å; E912-K916 WeakPolarHBondContact O-CG 3.29Å; E912-K916 PolarHBondContact O-N 2.6Å; E912-K916 WeakPolarHBondContact OE1-CE 3.41Å; E912-K916 IonicContact OE1-NZ 2.81Å; E912-K916 PolarHBondContact OE1-NZ 2.95Å |
| 913 | R | 93.3 | Very high | 91.1 | Very high | 147 Ų | 147 | 88.9 Ų | 88.9 | 56% | 0.555 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 174.3 | -80.4 | 176.4 | -74.8 | 165.6 | -3.7 | 112.1 | A909 V910 E911 K916 S917 | A909-R913 WeakPolarHBondContact O-CG 3.33Å; A909-R913 PolarHBondContact O-N 2.99Å; A909-R913 PolarHBondContact O-NE 2.87Å; V910-R913 VanDerWaalsContact CG2-NH2 3.33Å; V910-R913 PolarHBondContact O-N 3.42Å; E911-R913 VanDerWaalsContact C-N 3.34Å; E911-R913 PolarHBondContact O-N 3.23Å; R913-K916 PolarHBondContact O-N 2.81Å; R913-S917 WeakPolarHBondContact O-CB 3.24Å; R913-S917 PolarHBondContact O-N 3.48Å |
| 914 | K | 94.6 | Very high | 91.6 | Very high | 103 Ų | 103 | 87.7 Ų | 87.7 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.7 | -178.8 | 171.3 | 150 | -151.1 | 0 | 111.9 | V910 E911 S917 L918 | V910-K914 WeakPolarHBondContact O-CB 3.44Å; V910-K914 PolarHBondContact O-N 3.37Å; E911-K914 PolarHBondContact O-N 3Å; E911-K914 IonicContact OE1-NZ 3.41Å; E911-K914 PolarHBondContact OE1-NZ 2.97Å; E911-K914 WeakPolarHBondContact OE2-CD 3.41Å; E911-K914 WeakPolarHBondContact OE2-CE 3.14Å; E911-K914 IonicContact OE2-NZ 3.06Å; E911-K914 PolarHBondContact OE2-NZ 3.4Å; K914-S917 PolarHBondContact O-N 3.05Å; K914-L918 HydrophobicContact CG-CD1 4.18Å; K914-L918 VanDerWaalsContact O-CD1 3.25Å; K914-L918 WeakPolarHBondContact O-CD1 3.31Å; K914-L918 PolarHBondContact O-N 2.93Å |
| 915 | I | 95 | Very high | 92.2 | Very high | 103 Ų | 103 | 89.6 Ų | 89.6 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 172.6 | -69.2 | 163.6 | 0 | 0 | 0 | 110.5 | E911 S917 L918 V919 | E911-I915 WeakPolarHBondContact O-CB 3.34Å; E911-I915 VanDerWaalsContact O-CG1 3.25Å; E911-I915 WeakPolarHBondContact O-CG1 3.49Å; E911-I915 PolarHBondContact O-N 2.89Å; I915-S917 VanDerWaalsContact C-N 3.31Å; I915-S917 PolarHBondContact O-N 3.4Å; I915-L918 PolarHBondContact O-N 3.24Å; I915-V919 HydrophobicContact CG2-CG2 4.45Å; I915-V919 WeakPolarHBondContact O-CG2 3.25Å; I915-V919 PolarHBondContact O-N 3.32Å |
| 916 | K | 93.1 | Very high | 92.8 | Very high | 125 Ų | 125 | 89.5 Ų | 89.5 | 54% | 0.543 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.9 | -42.8 | 175.9 | -75.3 | 170.7 | -179.8 | 174.3 | 0 | 112.3 | E912 R913 V919 A920 | E912-K916 WeakPolarHBondContact O-CB 3.36Å; E912-K916 VanDerWaalsContact O-CG 3.3Å; E912-K916 WeakPolarHBondContact O-CG 3.29Å; E912-K916 PolarHBondContact O-N 2.6Å; E912-K916 WeakPolarHBondContact OE1-CE 3.41Å; E912-K916 IonicContact OE1-NZ 2.81Å; E912-K916 PolarHBondContact OE1-NZ 2.95Å; R913-K916 PolarHBondContact O-N 2.81Å; K916-V919 PolarHBondContact O-N 3.3Å; K916-A920 PolarHBondContact O-N 2.99Å |
| 917 | S | 94.1 | Very high | 93.2 | Very high | 78 Ų | 78 | 88.6 Ų | 88.6 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | R913 K914 I915 V919 A920 L921 | R913-S917 WeakPolarHBondContact O-CB 3.24Å; R913-S917 PolarHBondContact O-N 3.48Å; K914-S917 PolarHBondContact O-N 3.05Å; I915-S917 VanDerWaalsContact C-N 3.31Å; I915-S917 PolarHBondContact O-N 3.4Å; S917-V919 VanDerWaalsContact C-N 3.34Å; S917-V919 PolarHBondContact O-N 2.85Å; S917-A920 PolarHBondContact O-N 2.84Å; S917-L921 PolarHBondContact O-N 2.99Å |
| 918 | L | 96 | Very high | 93.7 | Very high | 112 Ų | 112 | 89.7 Ų | 89.7 | 59% | 0.586 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 177 | -93.9 | 73.5 | 0 | 0 | 0 | 112.2 | K914 I915 L921 L922 | K914-L918 HydrophobicContact CG-CD1 4.18Å; K914-L918 VanDerWaalsContact O-CD1 3.25Å; K914-L918 WeakPolarHBondContact O-CD1 3.31Å; K914-L918 PolarHBondContact O-N 2.93Å; I915-L918 PolarHBondContact O-N 3.24Å; L918-L921 PolarHBondContact O-N 3.3Å; L918-L922 WeakPolarHBondContact O-CB 3.43Å; L918-L922 PolarHBondContact O-N 3.24Å |
| 919 | V | 95.9 | Very high | 94.2 | Very high | 85 Ų | 85 | 92 Ų | 92 | 52% | 0.515 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | I915 K916 S917 L922 V923 | I915-V919 HydrophobicContact CG2-CG2 4.45Å; I915-V919 WeakPolarHBondContact O-CG2 3.25Å; I915-V919 PolarHBondContact O-N 3.32Å; K916-V919 PolarHBondContact O-N 3.3Å; S917-V919 VanDerWaalsContact C-N 3.34Å; S917-V919 PolarHBondContact O-N 2.85Å; V919-L922 PolarHBondContact O-N 2.67Å; V919-V923 WeakPolarHBondContact O-CG2 3.39Å; V919-V923 PolarHBondContact O-N 3.34Å |
| 920 | A | 93.5 | Very high | 94.6 | Very high | 60 Ų | 60 | 95.2 Ų | 95.2 | 50% | 0.496 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K916 S917 L922 V923 E924 | K916-A920 PolarHBondContact O-N 2.99Å; S917-A920 PolarHBondContact O-N 2.84Å; A920-L922 VanDerWaalsContact C-N 3.31Å; A920-L922 PolarHBondContact O-N 3.19Å; A920-V923 PolarHBondContact O-N 2.86Å; A920-E924 PolarHBondContact O-N 3.01Å |
| 921 | L | 96.1 | Very high | 94.7 | Very high | 101 Ų | 101 | 98 Ų | 98 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | 177.7 | -174.5 | 66.2 | 0 | 0 | 0 | 112.4 | S917 L918 T925 | S917-L921 PolarHBondContact O-N 2.99Å; L918-L921 PolarHBondContact O-N 3.3Å; L921-T925 WeakPolarHBondContact O-CB 3.5Å; L921-T925 PolarHBondContact O-N 3.04Å; L921-T925 PolarHBondContact O-OG1 3.12Å |
| 922 | L | 95.2 | Very high | 94.9 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 175.1 | -176.5 | 150.8 | 0 | 0 | 0 | 111.7 | L918 V919 A920 T925 Q926 | L918-L922 WeakPolarHBondContact O-CB 3.43Å; L918-L922 PolarHBondContact O-N 3.24Å; V919-L922 PolarHBondContact O-N 2.67Å; A920-L922 VanDerWaalsContact C-N 3.31Å; A920-L922 PolarHBondContact O-N 3.19Å; L922-T925 PolarHBondContact O-N 3.21Å; L922-Q926 HydrophobicContact CD2-CG 4.39Å; L922-Q926 PolarHBondContact O-N 3.21Å |
| 923 | V | 96.6 | Very high | 95.2 | Very high | 81 Ų | 81 | 99.8 Ų | 99.8 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 175.7 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | V919 A920 T925 Q926 M927 | V919-V923 WeakPolarHBondContact O-CG2 3.39Å; V919-V923 PolarHBondContact O-N 3.34Å; A920-V923 PolarHBondContact O-N 2.86Å; V923-T925 VanDerWaalsContact C-N 3.26Å; V923-T925 PolarHBondContact O-N 2.94Å; V923-Q926 PolarHBondContact O-N 2.77Å; V923-Q926 VanDerWaalsContact O-N 3.11Å; V923-M927 HydrophobicContact CG1-CG 4.41Å; V923-M927 VanDerWaalsContact O-CG 3.3Å; V923-M927 WeakPolarHBondContact O-CG 3.27Å; V923-M927 PolarHBondContact O-N 3.48Å |
| 924 | E | 94.7 | Very high | 95.2 | Very high | 90 Ų | 90 | 97.7 Ų | 97.7 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 174.9 | -168.7 | -168.2 | 173.3 | 0 | 0 | 111.6 | A920 M927 K928 | A920-E924 PolarHBondContact O-N 3.01Å; E924-M927 PolarHBondContact O-N 3.24Å; E924-K928 HydrophobicContact CG-CD 4.46Å; E924-K928 WeakPolarHBondContact O-CG 3.19Å; E924-K928 PolarHBondContact O-N 2.77Å; E924-K928 WeakPolarHBondContact OE1-CE 3.19Å; E924-K928 IonicContact OE1-NZ 3.85Å; E924-K928 PolarHBondContact OE1-NZ 2.95Å |
| 925 | T | 95.8 | Very high | 95.2 | Very high | 73 Ų | 73 | 100.4 Ų | 100.4 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.9 | -59 | 0 | 0 | 0 | 0 | 112.4 | L921 L922 V923 K929 | L921-T925 WeakPolarHBondContact O-CB 3.5Å; L921-T925 PolarHBondContact O-N 3.04Å; L921-T925 PolarHBondContact O-OG1 3.12Å; L922-T925 PolarHBondContact O-N 3.21Å; V923-T925 VanDerWaalsContact C-N 3.26Å; V923-T925 PolarHBondContact O-N 2.94Å; T925-K929 VanDerWaalsContact O-CB 3.28Å; T925-K929 WeakPolarHBondContact O-CB 3.48Å; T925-K929 PolarHBondContact O-N 3Å; T925-K929 VanDerWaalsContact O-N 3.11Å |
| 926 | Q | 95.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.8 | -34.9 | 173 | -63.7 | -41.6 | -63.2 | 0 | 0 | 112.1 | L922 V923 K929 L930 | L922-Q926 HydrophobicContact CD2-CG 4.39Å; L922-Q926 PolarHBondContact O-N 3.21Å; V923-Q926 PolarHBondContact O-N 2.77Å; V923-Q926 VanDerWaalsContact O-N 3.11Å; Q926-K929 PolarHBondContact O-N 3.41Å; Q926-L930 PolarHBondContact O-N 3.37Å |
| 927 | M | 95.1 | Very high | 95.4 | Very high | 99 Ų | 99 | 101.9 Ų | 101.9 | 49% | 0.488 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -52.1 | 176 | -65.4 | -92.5 | 63.6 | 0 | 0 | 111.1 | V923 E924 K929 L930 E931 | V923-M927 HydrophobicContact CG1-CG 4.41Å; V923-M927 VanDerWaalsContact O-CG 3.3Å; V923-M927 WeakPolarHBondContact O-CG 3.27Å; V923-M927 PolarHBondContact O-N 3.48Å; E924-M927 PolarHBondContact O-N 3.24Å; M927-K929 VanDerWaalsContact C-N 3.27Å; M927-K929 PolarHBondContact O-N 3.31Å; M927-L930 HydrophobicContact CE-CD2 4.11Å; M927-L930 CarbonylContact O-C 3.6Å; M927-L930 WeakPolarHBondContact O-CA 3.41Å; M927-L930 VanDerWaalsContact O-CB 3.32Å; M927-L930 WeakPolarHBondContact O-CB 3.26Å; M927-L930 PolarHBondContact O-N 3.19Å; M927-E931 WeakPolarHBondContact O-CG 3.49Å; M927-E931 PolarHBondContact O-N 3.13Å |
| 928 | K | 96.3 | Very high | 95.4 | Very high | 100 Ų | 100 | 103.1 Ų | 103.1 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.4 | -38.6 | 175.9 | -70.6 | 174.2 | -176.6 | 171.2 | 0 | 112.7 | E924 L930 E931 I932 | E924-K928 HydrophobicContact CG-CD 4.46Å; E924-K928 WeakPolarHBondContact O-CG 3.19Å; E924-K928 PolarHBondContact O-N 2.77Å; E924-K928 WeakPolarHBondContact OE1-CE 3.19Å; E924-K928 IonicContact OE1-NZ 3.85Å; E924-K928 PolarHBondContact OE1-NZ 2.95Å; K928-L930 VanDerWaalsContact C-N 3.29Å; K928-L930 PolarHBondContact O-N 2.97Å; K928-E931 PolarHBondContact O-N 2.62Å; K928-I932 WeakPolarHBondContact O-CB 3.27Å; K928-I932 VanDerWaalsContact O-CG1 3.24Å; K928-I932 WeakPolarHBondContact O-CG1 3.36Å; K928-I932 PolarHBondContact O-N 2.87Å |
| 929 | K | 96.2 | Very high | 95.4 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -30.5 | 173.6 | 171.5 | -179.3 | 161.7 | -163.4 | 0 | 112.9 | T925 Q926 M927 K933 | T925-K929 VanDerWaalsContact O-CB 3.28Å; T925-K929 WeakPolarHBondContact O-CB 3.48Å; T925-K929 PolarHBondContact O-N 3Å; T925-K929 VanDerWaalsContact O-N 3.11Å; Q926-K929 PolarHBondContact O-N 3.41Å; M927-K929 VanDerWaalsContact C-N 3.27Å; M927-K929 PolarHBondContact O-N 3.31Å; K929-K933 WeakPolarHBondContact O-CG 3.45Å; K929-K933 PolarHBondContact O-N 3.05Å |
| 930 | L | 95.3 | Very high | 95.5 | Very high | 104 Ų | 104 | 104.6 Ų | 104.6 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -77.3 | -43.6 | 175.6 | -147.6 | 71.7 | 0 | 0 | 0 | 111.1 | Q926 M927 K928 K933 L934 | Q926-L930 PolarHBondContact O-N 3.37Å; M927-L930 HydrophobicContact CE-CD2 4.11Å; M927-L930 CarbonylContact O-C 3.6Å; M927-L930 WeakPolarHBondContact O-CA 3.41Å; M927-L930 VanDerWaalsContact O-CB 3.32Å; M927-L930 WeakPolarHBondContact O-CB 3.26Å; M927-L930 PolarHBondContact O-N 3.19Å; K928-L930 VanDerWaalsContact C-N 3.29Å; K928-L930 PolarHBondContact O-N 2.97Å; L930-K933 WeakPolarHBondContact O-CB 3.46Å; L930-K933 PolarHBondContact O-N 3Å; L930-L934 PolarHBondContact O-N 3.38Å |
| 931 | E | 94.3 | Very high | 95.5 | Very high | 115 Ų | 115 | 107.3 Ų | 107.3 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 173.6 | -68.3 | 172.2 | 173.6 | 0 | 0 | 112.2 | M927 K928 K933 L934 R935 | M927-E931 WeakPolarHBondContact O-CG 3.49Å; M927-E931 PolarHBondContact O-N 3.13Å; K928-E931 PolarHBondContact O-N 2.62Å; E931-K933 VanDerWaalsContact C-N 3.28Å; E931-K933 PolarHBondContact O-N 2.8Å; E931-L934 PolarHBondContact O-N 3.48Å; E931-L934 VanDerWaalsContact O-N 3.17Å; E931-R935 PolarHBondContact O-N 3.01Å |
| 932 | I | 95 | Very high | 95.4 | Very high | 92 Ų | 92 | 105.5 Ų | 105.5 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 177.8 | -71.2 | 167 | 0 | 0 | 0 | 110.7 | K928 H936 | K928-I932 WeakPolarHBondContact O-CB 3.27Å; K928-I932 VanDerWaalsContact O-CG1 3.24Å; K928-I932 WeakPolarHBondContact O-CG1 3.36Å; K928-I932 PolarHBondContact O-N 2.87Å; I932-H936 PolarHBondContact O-N 2.88Å; I932-H936 VanDerWaalsContact O-N 3.08Å; I932-H936 PolarHBondContact O-ND1 2.94Å |
| 933 | K | 96.6 | Very high | 95.4 | Very high | 122 Ų | 122 | 103.6 Ų | 103.6 | 53% | 0.53 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 174 | -81.4 | -176.1 | 170.4 | -160.1 | 0 | 112.4 | K929 L930 E931 H936 F937 | K929-K933 WeakPolarHBondContact O-CG 3.45Å; K929-K933 PolarHBondContact O-N 3.05Å; L930-K933 WeakPolarHBondContact O-CB 3.46Å; L930-K933 PolarHBondContact O-N 3Å; E931-K933 VanDerWaalsContact C-N 3.28Å; E931-K933 PolarHBondContact O-N 2.8Å; K933-H936 PolarHBondContact O-N 2.65Å; K933-F937 VanDerWaalsContact O-CD2 3.3Å; K933-F937 WeakPolarHBondContact O-CD2 3.35Å; K933-F937 PolarHBondContact O-N 3.21Å |
| 934 | L | 94.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 104.9 Ų | 104.9 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 178 | -124.3 | 170.9 | 0 | 0 | 0 | 110.5 | L930 E931 H936 F937 E938 | L930-L934 PolarHBondContact O-N 3.38Å; E931-L934 PolarHBondContact O-N 3.48Å; E931-L934 VanDerWaalsContact O-N 3.17Å; L934-H936 VanDerWaalsContact C-N 3.32Å; L934-H936 PolarHBondContact O-N 2.91Å; L934-F937 WeakPolarHBondContact O-CA 2.87Å; L934-F937 WeakPolarHBondContact O-CB 3.4Å; L934-F937 PolarHBondContact O-N 3.25Å; L934-E938 HydrophobicContact CD2-CG 4.33Å; L934-E938 WeakPolarHBondContact O-CG 3.33Å; L934-E938 PolarHBondContact O-N 2.96Å |
| 935 | R | 95.4 | Very high | 95.2 | Very high | 159 Ų | 159 | 103.9 Ų | 103.9 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.1 | -38.5 | 175.7 | -170.3 | 178 | -62.4 | 158 | 5.2 | 113.4 | E931 F937 E938 E939 | E931-R935 PolarHBondContact O-N 3.01Å; R935-F937 VanDerWaalsContact C-N 3.33Å; R935-E938 PolarHBondContact O-N 2.95Å; R935-E939 WeakPolarHBondContact O-CB 3.5Å; R935-E939 PolarHBondContact O-N 2.98Å |
| 936 | H | 95.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 108 Ų | 108 | 55% | 0.546 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 174 | -80.3 | 71.7 | 0 | 0 | 0 | 112.2 | I932 K933 L934 L940 | I932-H936 PolarHBondContact O-N 2.88Å; I932-H936 VanDerWaalsContact O-N 3.08Å; I932-H936 PolarHBondContact O-ND1 2.94Å; K933-H936 PolarHBondContact O-N 2.65Å; L934-H936 VanDerWaalsContact C-N 3.32Å; L934-H936 PolarHBondContact O-N 2.91Å; H936-L940 VanDerWaalsContact O-CB 3.3Å; H936-L940 WeakPolarHBondContact O-CB 3.23Å; H936-L940 PolarHBondContact O-N 3.29Å |
| 937 | F | 95.6 | Very high | 95.2 | Very high | 142 Ų | 142 | 109.8 Ų | 109.8 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.2 | -43.1 | 173.7 | -82.8 | -69.6 | 0 | 0 | 0 | 112 | K933 L934 R935 E939 L940 E941 | K933-F937 VanDerWaalsContact O-CD2 3.3Å; K933-F937 WeakPolarHBondContact O-CD2 3.35Å; K933-F937 PolarHBondContact O-N 3.21Å; L934-F937 WeakPolarHBondContact O-CA 2.87Å; L934-F937 WeakPolarHBondContact O-CB 3.4Å; L934-F937 PolarHBondContact O-N 3.25Å; R935-F937 VanDerWaalsContact C-N 3.33Å; F937-E939 VanDerWaalsContact C-N 3.34Å; F937-E939 PolarHBondContact O-N 2.77Å; F937-L940 PolarHBondContact O-N 3.19Å; F937-E941 WeakPolarHBondContact O-CB 3.49Å; F937-E941 PolarHBondContact O-N 3.45Å |
| 938 | E | 95.4 | Very high | 95.1 | Very high | 103 Ų | 103 | 113.2 Ų | 113.2 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 175.1 | -68 | 166.3 | 172.2 | 0 | 0 | 111.9 | L934 R935 T942 | L934-E938 HydrophobicContact CD2-CG 4.33Å; L934-E938 WeakPolarHBondContact O-CG 3.33Å; L934-E938 PolarHBondContact O-N 2.96Å; R935-E938 PolarHBondContact O-N 2.95Å; E938-T942 VanDerWaalsContact O-CB 3.3Å; E938-T942 WeakPolarHBondContact O-CB 3.29Å; E938-T942 PolarHBondContact O-N 3.01Å; E938-T942 PolarHBondContact O-OG1 3.05Å |
| 939 | E | 96.1 | Very high | 95 | Very high | 117 Ų | 117 | 115.3 Ų | 115.3 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.9 | -177.2 | 169.2 | -163.6 | 0 | 0 | 111.7 | R935 F937 T942 I943 | R935-E939 WeakPolarHBondContact O-CB 3.5Å; R935-E939 PolarHBondContact O-N 2.98Å; F937-E939 VanDerWaalsContact C-N 3.34Å; F937-E939 PolarHBondContact O-N 2.77Å; E939-T942 WeakPolarHBondContact O-CB 3.41Å; E939-T942 PolarHBondContact O-N 3.22Å; E939-I943 HydrophobicContact CG-CD1 4.13Å; E939-I943 VanDerWaalsContact O-CG1 3.3Å; E939-I943 WeakPolarHBondContact O-CG1 3.18Å; E939-I943 PolarHBondContact O-N 3.42Å |
| 940 | L | 96.4 | Very high | 94.9 | Very high | 112 Ų | 112 | 112.2 Ų | 112.2 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.7 | -38.2 | 178.9 | -157.2 | 74.1 | 0 | 0 | 0 | 112.4 | H936 F937 I943 M944 | H936-L940 VanDerWaalsContact O-CB 3.3Å; H936-L940 WeakPolarHBondContact O-CB 3.23Å; H936-L940 PolarHBondContact O-N 3.29Å; F937-L940 PolarHBondContact O-N 3.19Å; L940-I943 PolarHBondContact O-N 3.49Å; L940-M944 WeakPolarHBondContact O-CB 3.45Å; L940-M944 PolarHBondContact O-N 2.86Å |
| 941 | E | 93.5 | Very high | 94.9 | Very high | 116 Ų | 116 | 112.5 Ų | 112.5 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 172 | -176 | 168.7 | -153.7 | 0 | 0 | 110.8 | F937 I943 M944 D945 | F937-E941 WeakPolarHBondContact O-CB 3.49Å; F937-E941 PolarHBondContact O-N 3.45Å; E941-I943 VanDerWaalsContact C-N 3.3Å; E941-I943 PolarHBondContact O-N 3.2Å; E941-M944 HydrophobicContact CG-CE 4.36Å; E941-M944 PolarHBondContact O-N 2.92Å; E941-D945 PolarHBondContact O-N 2.76Å |
| 942 | T | 95 | Very high | 94.9 | Very high | 64 Ų | 64 | 110.6 Ų | 110.6 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 174.5 | -60 | 0 | 0 | 0 | 0 | 112.5 | E938 E939 R946 | E938-T942 VanDerWaalsContact O-CB 3.3Å; E938-T942 WeakPolarHBondContact O-CB 3.29Å; E938-T942 PolarHBondContact O-N 3.01Å; E938-T942 PolarHBondContact O-OG1 3.05Å; E939-T942 WeakPolarHBondContact O-CB 3.41Å; E939-T942 PolarHBondContact O-N 3.22Å; T942-R946 VanDerWaalsContact O-CG 3.29Å; T942-R946 WeakPolarHBondContact O-CG 3.22Å; T942-R946 PolarHBondContact O-N 2.92Å |
| 943 | I | 95.9 | Very high | 94.8 | Very high | 68 Ų | 68 | 113.7 Ų | 113.7 | 35% | 0.349 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.8 | -47.5 | 174.5 | -68.9 | 162.6 | 0 | 0 | 0 | 110.2 | E939 L940 E941 D945 R946 E947 | E939-I943 HydrophobicContact CG-CD1 4.13Å; E939-I943 VanDerWaalsContact O-CG1 3.3Å; E939-I943 WeakPolarHBondContact O-CG1 3.18Å; E939-I943 PolarHBondContact O-N 3.42Å; L940-I943 PolarHBondContact O-N 3.49Å; E941-I943 VanDerWaalsContact C-N 3.3Å; E941-I943 PolarHBondContact O-N 3.2Å; I943-D945 PolarHBondContact O-N 3.03Å; I943-R946 WeakPolarHBondContact O-CB 3.41Å; I943-R946 PolarHBondContact O-N 3.14Å; I943-E947 PolarHBondContact O-N 3.1Å |
| 944 | M | 94.6 | Very high | 94.7 | Very high | 107 Ų | 107 | 113.9 Ų | 113.9 | 53% | 0.527 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 179.1 | -179.3 | -170.1 | 67.2 | 0 | 0 | 112.5 | L940 E941 E947 R948 | L940-M944 WeakPolarHBondContact O-CB 3.45Å; L940-M944 PolarHBondContact O-N 2.86Å; E941-M944 HydrophobicContact CG-CE 4.36Å; E941-M944 PolarHBondContact O-N 2.92Å; M944-E947 PolarHBondContact O-N 2.6Å; M944-R948 VanDerWaalsContact O-CB 3.3Å; M944-R948 WeakPolarHBondContact O-CB 3.31Å; M944-R948 PolarHBondContact O-N 3.49Å |
| 945 | D | 91.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 116.9 Ų | 116.9 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.5 | -31.2 | 178.8 | -100.3 | -19.2 | 0 | 0 | 0 | 112.2 | E941 I943 R948 E949 | E941-D945 PolarHBondContact O-N 2.76Å; I943-D945 PolarHBondContact O-N 3.03Å; D945-R948 PolarHBondContact O-N 3.06Å; D945-R948 IonicContact OD1-CZ 3.65Å; D945-R948 IonicContact OD1-NH1 3.04Å; D945-R948 PolarHBondContact OD1-NH1 3.09Å; D945-E949 WeakPolarHBondContact O-CB 3.43Å; D945-E949 PolarHBondContact O-N 3.35Å |
| 946 | R | 95.3 | Very high | 94.6 | Very high | 159 Ų | 159 | 114.6 Ų | 114.6 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.3 | -42.5 | 169.5 | -75.2 | 174.3 | -172.9 | 147.6 | 4.2 | 112.5 | T942 I943 R948 E949 A950 | T942-R946 VanDerWaalsContact O-CG 3.29Å; T942-R946 WeakPolarHBondContact O-CG 3.22Å; T942-R946 PolarHBondContact O-N 2.92Å; I943-R946 WeakPolarHBondContact O-CB 3.41Å; I943-R946 PolarHBondContact O-N 3.14Å; R946-R948 VanDerWaalsContact C-N 3.29Å; R946-R948 PolarHBondContact O-N 3Å; R946-E949 PolarHBondContact O-N 3.08Å; R946-A950 VanDerWaalsContact O-CB 3.29Å; R946-A950 WeakPolarHBondContact O-CB 3.49Å; R946-A950 PolarHBondContact O-N 3.4Å |
| 947 | E | 95.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 112.7 Ų | 112.7 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -40.2 | 175.2 | -73.1 | -175.3 | 171 | 0 | 0 | 111.1 | I943 M944 A950 L951 | I943-E947 PolarHBondContact O-N 3.1Å; M944-E947 PolarHBondContact O-N 2.6Å; E947-A950 PolarHBondContact O-N 3.44Å; E947-L951 WeakPolarHBondContact O-CB 3.13Å; E947-L951 VanDerWaalsContact O-CG 3.29Å; E947-L951 WeakPolarHBondContact O-CG 3.32Å; E947-L951 PolarHBondContact O-N 2.94Å |
| 948 | R | 94.1 | Very high | 94.6 | Very high | 170 Ų | 170 | 110.2 Ų | 110.2 | 64% | 0.642 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.2 | -43.1 | 175.5 | 179.1 | -180 | 167.1 | -136.9 | -2 | 112.8 | M944 D945 R946 L951 E952 | M944-R948 VanDerWaalsContact O-CB 3.3Å; M944-R948 WeakPolarHBondContact O-CB 3.31Å; M944-R948 PolarHBondContact O-N 3.49Å; D945-R948 PolarHBondContact O-N 3.06Å; D945-R948 IonicContact OD1-CZ 3.65Å; D945-R948 IonicContact OD1-NH1 3.04Å; D945-R948 PolarHBondContact OD1-NH1 3.09Å; R946-R948 VanDerWaalsContact C-N 3.29Å; R946-R948 PolarHBondContact O-N 3Å; R948-L951 PolarHBondContact O-N 3.41Å; R948-E952 WeakPolarHBondContact O-CB 3.39Å; R948-E952 PolarHBondContact O-N 3.34Å |
| 949 | E | 94.5 | Very high | 94.5 | Very high | 145 Ų | 145 | 109.5 Ų | 109.5 | 68% | 0.678 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 174.1 | -176 | 175.8 | -159 | 0 | 0 | 110.7 | D945 R946 L951 E952 Y953 | D945-E949 WeakPolarHBondContact O-CB 3.43Å; D945-E949 PolarHBondContact O-N 3.35Å; R946-E949 PolarHBondContact O-N 3.08Å; E949-L951 PolarHBondContact O-N 2.87Å; E949-E952 PolarHBondContact O-N 3.35Å; E949-Y953 WeakPolarHBondContact O-CB 3.48Å; E949-Y953 PolarHBondContact O-N 2.99Å |
| 950 | A | 93.9 | Very high | 94.4 | Very high | 47 Ų | 47 | 104.9 Ų | 104.9 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R946 E947 Q954 | R946-A950 VanDerWaalsContact O-CB 3.29Å; R946-A950 WeakPolarHBondContact O-CB 3.49Å; R946-A950 PolarHBondContact O-N 3.4Å; E947-A950 PolarHBondContact O-N 3.44Å; A950-Q954 WeakPolarHBondContact O-CB 3.41Å; A950-Q954 VanDerWaalsContact O-CG 3.28Å; A950-Q954 WeakPolarHBondContact O-CG 3.49Å; A950-Q954 PolarHBondContact O-N 2.92Å |
| 951 | L | 94.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 103.5 Ų | 103.5 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.9 | -41.4 | 175.7 | -79.3 | 168.5 | 0 | 0 | 0 | 112.6 | E947 R948 E949 Q954 R955 | E947-L951 WeakPolarHBondContact O-CB 3.13Å; E947-L951 VanDerWaalsContact O-CG 3.29Å; E947-L951 WeakPolarHBondContact O-CG 3.32Å; E947-L951 PolarHBondContact O-N 2.94Å; R948-L951 PolarHBondContact O-N 3.41Å; E949-L951 PolarHBondContact O-N 2.87Å; L951-Q954 PolarHBondContact O-N 2.76Å; L951-R955 WeakPolarHBondContact O-CB 3.28Å; L951-R955 PolarHBondContact O-N 2.74Å |
| 952 | E | 93.4 | Very high | 94.3 | Very high | 74 Ų | 74 | 106 Ų | 106 | 35% | 0.346 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.9 | -33.6 | 177.2 | -174.9 | 54 | -141.6 | 0 | 0 | 111.3 | R948 E949 R955 Q956 | R948-E952 WeakPolarHBondContact O-CB 3.39Å; R948-E952 PolarHBondContact O-N 3.34Å; E949-E952 PolarHBondContact O-N 3.35Å; E952-R955 WeakPolarHBondContact O-CB 3.3Å; E952-R955 PolarHBondContact O-N 3.45Å; E952-R955 WeakPolarHBondContact OE2-CD 3.35Å; E952-R955 IonicContact OE2-CZ 2.71Å; E952-R955 IonicContact OE2-NH1 3.46Å; E952-R955 PolarHBondContact OE2-NH1 2.94Å; E952-Q956 WeakPolarHBondContact O-CB 3.32Å; E952-Q956 VanDerWaalsContact O-CG 3.3Å; E952-Q956 WeakPolarHBondContact O-CG 3.33Å; E952-Q956 PolarHBondContact O-N 3.08Å; E952-Q956 PolarHBondContact OE1-NE2 2.94Å |
| 953 | Y | 94.1 | Very high | 94.1 | Very high | 157 Ų | 157 | 104.1 Ų | 104.1 | 62% | 0.616 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 169.3 | -174 | -93 | 0 | 0 | 0 | 111.9 | E949 R955 Q956 Q957 | E949-Y953 WeakPolarHBondContact O-CB 3.48Å; E949-Y953 PolarHBondContact O-N 2.99Å; Y953-R955 VanDerWaalsContact C-N 3.27Å; Y953-R955 PolarHBondContact O-N 2.87Å; Y953-Q956 PolarHBondContact O-N 3.28Å; Y953-Q957 PolarHBondContact O-N 2.93Å |
| 954 | Q | 94.6 | Very high | 94 | Very high | 126 Ų | 126 | 101.9 Ų | 101.9 | 59% | 0.589 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.6 | -37.9 | 173.4 | -76.2 | 176.4 | 13.6 | 0 | 0 | 112.2 | A950 L951 Q957 L958 | A950-Q954 WeakPolarHBondContact O-CB 3.41Å; A950-Q954 VanDerWaalsContact O-CG 3.28Å; A950-Q954 WeakPolarHBondContact O-CG 3.49Å; A950-Q954 PolarHBondContact O-N 2.92Å; L951-Q954 PolarHBondContact O-N 2.76Å; Q954-Q957 PolarHBondContact O-N 2.75Å; Q954-L958 WeakPolarHBondContact O-CB 3.43Å; Q954-L958 PolarHBondContact O-N 3.1Å |
| 955 | R | 92.9 | Very high | 94 | Very high | 167 Ų | 167 | 102.6 Ų | 102.6 | 63% | 0.63 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 175.8 | -171.6 | -167.7 | -170.7 | 179.6 | 3 | 112.1 | L951 E952 Y953 L959 | L951-R955 WeakPolarHBondContact O-CB 3.28Å; L951-R955 PolarHBondContact O-N 2.74Å; E952-R955 WeakPolarHBondContact O-CB 3.3Å; E952-R955 PolarHBondContact O-N 3.45Å; E952-R955 WeakPolarHBondContact OE2-CD 3.35Å; E952-R955 IonicContact OE2-CZ 2.71Å; E952-R955 IonicContact OE2-NH1 3.46Å; E952-R955 PolarHBondContact OE2-NH1 2.94Å; Y953-R955 VanDerWaalsContact C-N 3.27Å; Y953-R955 PolarHBondContact O-N 2.87Å; R955-L959 WeakPolarHBondContact O-CB 3.36Å; R955-L959 PolarHBondContact O-N 2.87Å |
| 956 | Q | 94.1 | Very high | 93.9 | Very high | 111 Ų | 111 | 103.4 Ų | 103.4 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 176.3 | -73.3 | 173.7 | 27.5 | 0 | 0 | 111.4 | E952 Y953 L959 A960 | E952-Q956 WeakPolarHBondContact O-CB 3.32Å; E952-Q956 VanDerWaalsContact O-CG 3.3Å; E952-Q956 WeakPolarHBondContact O-CG 3.33Å; E952-Q956 PolarHBondContact O-N 3.08Å; E952-Q956 PolarHBondContact OE1-NE2 2.94Å; Y953-Q956 PolarHBondContact O-N 3.28Å; Q956-L959 WeakPolarHBondContact O-CB 3.14Å; Q956-L959 PolarHBondContact O-N 3.24Å; Q956-A960 WeakPolarHBondContact O-CB 3.37Å; Q956-A960 PolarHBondContact O-N 3.35Å |
| 957 | Q | 95.4 | Very high | 93.7 | Very high | 77 Ų | 77 | 100.4 Ų | 100.4 | 36% | 0.36 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 172.3 | -170.8 | 63.1 | 54.4 | 0 | 0 | 111.6 | Y953 Q954 L959 A960 D961 | Y953-Q957 PolarHBondContact O-N 2.93Å; Q954-Q957 PolarHBondContact O-N 2.75Å; Q957-L959 PolarHBondContact O-N 2.75Å; Q957-A960 CarbonylContact O-C 3.6Å; Q957-A960 WeakPolarHBondContact O-CB 3.4Å; Q957-A960 PolarHBondContact O-N 2.93Å; Q957-D961 PolarHBondContact NE2-OD1 3.35Å; Q957-D961 PolarHBondContact O-N 3.29Å |
| 958 | L | 94.4 | Very high | 93.6 | Very high | 91 Ų | 91 | 100.9 Ų | 100.9 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61 | -33 | 177 | 177.8 | 61.6 | 0 | 0 | 0 | 112.5 | Q954 R962 | Q954-L958 WeakPolarHBondContact O-CB 3.43Å; Q954-L958 PolarHBondContact O-N 3.1Å; L958-R962 HydrophobicContact CD1-CG 4.48Å; L958-R962 WeakPolarHBondContact O-CB 3.35Å; L958-R962 WeakPolarHBondContact O-CD 3.26Å; L958-R962 WeakPolarHBondContact O-CG 3.12Å; L958-R962 PolarHBondContact O-N 3.43Å |
| 959 | L | 93.1 | Very high | 93.4 | Very high | 88 Ų | 88 | 97.4 Ų | 97.4 | 46% | 0.461 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.9 | -52 | 170.7 | -176.6 | 62 | 0 | 0 | 0 | 110.3 | R955 Q956 Q957 D961 R962 Q963 | R955-L959 WeakPolarHBondContact O-CB 3.36Å; R955-L959 PolarHBondContact O-N 2.87Å; Q956-L959 WeakPolarHBondContact O-CB 3.14Å; Q956-L959 PolarHBondContact O-N 3.24Å; Q957-L959 PolarHBondContact O-N 2.75Å; L959-D961 VanDerWaalsContact C-N 3.33Å; L959-D961 PolarHBondContact O-N 3.04Å; L959-R962 PolarHBondContact O-N 3.23Å; L959-Q963 HydrophobicContact CD1-CG 4.15Å; L959-Q963 HydrophobicContact CG-CG 4.36Å; L959-Q963 VanDerWaalsContact O-CB 3.28Å; L959-Q963 WeakPolarHBondContact O-CB 3.36Å; L959-Q963 WeakPolarHBondContact O-CG 3.38Å; L959-Q963 PolarHBondContact O-N 3.49Å |
| 960 | A | 93.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 94.7 Ų | 94.7 | 16% | 0.157 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.6 | -39.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q956 Q957 Q963 A964 G1111 | Q956-A960 WeakPolarHBondContact O-CB 3.37Å; Q956-A960 PolarHBondContact O-N 3.35Å; Q957-A960 CarbonylContact O-C 3.6Å; Q957-A960 WeakPolarHBondContact O-CB 3.4Å; Q957-A960 PolarHBondContact O-N 2.93Å; A960-Q963 PolarHBondContact O-N 2.88Å; A960-A964 WeakPolarHBondContact O-CB 3.46Å; A960-A964 PolarHBondContact O-N 3.17Å; A960-G1111 VanDerWaalsContact CA-O 3.31Å; A960-G1111 WeakPolarHBondContact CA-O 3.48Å; A960-G1111 WeakPolarHBondContact CB-O 3.17Å; A960-G1111 CarbonylContact O-C 3.25Å; A960-G1111 PolarHBondContact O-N 3.43Å |
| 961 | D | 94.9 | Very high | 93.1 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -49.4 | 177 | -65.4 | -16.4 | 0 | 0 | 0 | 111.6 | Q957 L959 Q963 A964 F965 | Q957-D961 PolarHBondContact NE2-OD1 3.35Å; Q957-D961 PolarHBondContact O-N 3.29Å; L959-D961 VanDerWaalsContact C-N 3.33Å; L959-D961 PolarHBondContact O-N 3.04Å; D961-Q963 PolarHBondContact O-N 2.98Å; D961-A964 PolarHBondContact O-N 2.93Å; D961-F965 WeakPolarHBondContact O-CB 3.21Å; D961-F965 PolarHBondContact O-N 2.8Å |
| 962 | R | 92.8 | Very high | 92.9 | Very high | 169 Ų | 169 | 100.1 Ų | 100.1 | 64% | 0.638 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.3 | -38.2 | 175.3 | -75.3 | 173 | 175.3 | -146.6 | -0.9 | 111.6 | L958 L959 H966 | L958-R962 HydrophobicContact CD1-CG 4.48Å; L958-R962 WeakPolarHBondContact O-CB 3.35Å; L958-R962 WeakPolarHBondContact O-CD 3.26Å; L958-R962 WeakPolarHBondContact O-CG 3.12Å; L958-R962 PolarHBondContact O-N 3.43Å; L959-R962 PolarHBondContact O-N 3.23Å; R962-H966 WeakPolarHBondContact O-CB 3.27Å; R962-H966 PolarHBondContact O-N 3.41Å |
| 963 | Q | 92.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 99.2 Ų | 99.2 | 12% | 0.117 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -73.4 | -41.8 | -179.1 | -72.7 | -179.3 | -19.8 | 0 | 0 | 111.8 | L959 A960 D961 F965 H966 M967 L1112 P1113 | L959-Q963 HydrophobicContact CD1-CG 4.15Å; L959-Q963 HydrophobicContact CG-CG 4.36Å; L959-Q963 VanDerWaalsContact O-CB 3.28Å; L959-Q963 WeakPolarHBondContact O-CB 3.36Å; L959-Q963 WeakPolarHBondContact O-CG 3.38Å; L959-Q963 PolarHBondContact O-N 3.49Å; A960-Q963 PolarHBondContact O-N 2.88Å; D961-Q963 PolarHBondContact O-N 2.98Å; Q963-F965 PolarHBondContact O-N 3Å; Q963-H966 PolarHBondContact O-N 2.64Å; Q963-M967 PolarHBondContact O-N 2.95Å; Q963-L1112 VanDerWaalsContact CB-CA 3.47Å; Q963-P1113 VanDerWaalsContact CD-CA 3.46Å; Q963-P1113 WeakPolarHBondContact CG-O 3.2Å |
| 964 | A | 93.5 | Very high | 92.4 | Very high | 21 Ų | 21 | 96.3 Ų | 96.3 | 17% | 0.174 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.4 | -49.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A960 D961 H966 M967 E968 L1110 | A960-A964 WeakPolarHBondContact O-CB 3.46Å; A960-A964 PolarHBondContact O-N 3.17Å; D961-A964 PolarHBondContact O-N 2.93Å; A964-H966 PolarHBondContact O-N 3.15Å; A964-M967 PolarHBondContact O-N 3.09Å; A964-E968 PolarHBondContact O-N 3.35Å; A964-L1110 HydrophobicContact CB-CB 3.99Å |
| 965 | F | 94.4 | Very high | 92.2 | Very high | 122 Ų | 122 | 94.6 Ų | 94.6 | 54% | 0.535 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 177 | 175.8 | -103.3 | 0 | 0 | 0 | 112.7 | D961 Q963 E968 Q969 | D961-F965 WeakPolarHBondContact O-CB 3.21Å; D961-F965 PolarHBondContact O-N 2.8Å; Q963-F965 PolarHBondContact O-N 3Å; F965-E968 PolarHBondContact O-N 2.85Å; F965-Q969 HydrophobicContact CD1-CG 4.37Å; F965-Q969 HydrophobicContact CD2-CG 4.49Å; F965-Q969 HydrophobicContact CE1-CG 4.04Å; F965-Q969 HydrophobicContact CE2-CG 4.16Å; F965-Q969 HydrophobicContact CZ-CG 3.93Å; F965-Q969 WeakPolarHBondContact O-CB 3.31Å; F965-Q969 VanDerWaalsContact O-CG 3.23Å; F965-Q969 WeakPolarHBondContact O-CG 3.49Å; F965-Q969 PolarHBondContact O-N 2.91Å |
| 966 | H | 90.5 | Very high | 92.1 | Very high | 87 Ų | 87 | 92.9 Ų | 92.9 | 40% | 0.403 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 176.8 | -172.2 | 70.5 | 0 | 0 | 0 | 112.3 | R962 Q963 A964 Q969 L970 | R962-H966 WeakPolarHBondContact O-CB 3.27Å; R962-H966 PolarHBondContact O-N 3.41Å; Q963-H966 PolarHBondContact O-N 2.64Å; A964-H966 PolarHBondContact O-N 3.15Å; H966-Q969 PolarHBondContact O-N 3.47Å; H966-L970 PolarHBondContact O-N 2.95Å |
| 967 | M | 90.6 | Very high | 91.7 | Very high | 96 Ų | 96 | 90.1 Ų | 90.1 | 47% | 0.473 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.2 | -33 | 177 | -172.5 | 154 | 57 | 0 | 0 | 112.7 | Q963 A964 K971 L1112 | Q963-M967 PolarHBondContact O-N 2.95Å; A964-M967 PolarHBondContact O-N 3.09Å; M967-K971 WeakPolarHBondContact O-CB 3.14Å; M967-K971 PolarHBondContact O-N 2.81Å; M967-L1112 VanDerWaalsContact CE-O 3.24Å; M967-L1112 WeakPolarHBondContact CE-O 3.45Å |
| 968 | E | 92.8 | Very high | 91.3 | Very high | 134 Ų | 134 | 93.1 Ų | 93.1 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.4 | -43.6 | 170.5 | -177.4 | 166.5 | -138 | 0 | 0 | 112.1 | A964 F965 L970 K971 Y972 | A964-E968 PolarHBondContact O-N 3.35Å; F965-E968 PolarHBondContact O-N 2.85Å; E968-L970 VanDerWaalsContact C-N 3.34Å; E968-L970 PolarHBondContact O-N 3.23Å; E968-K971 WeakPolarHBondContact O-CB 3.3Å; E968-K971 PolarHBondContact O-N 2.95Å; E968-K971 VanDerWaalsContact O-N 3.15Å; E968-Y972 PolarHBondContact O-N 3.41Å |
| 969 | Q | 89.7 | Confident | 90.8 | Very high | 96 Ų | 96 | 94.6 Ų | 94.6 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 175.4 | -72.1 | -83.8 | 52 | 0 | 0 | 112.2 | F965 H966 Y972 A973 | F965-Q969 HydrophobicContact CD1-CG 4.37Å; F965-Q969 HydrophobicContact CD2-CG 4.49Å; F965-Q969 HydrophobicContact CE1-CG 4.04Å; F965-Q969 HydrophobicContact CE2-CG 4.16Å; F965-Q969 HydrophobicContact CZ-CG 3.93Å; F965-Q969 WeakPolarHBondContact O-CB 3.31Å; F965-Q969 VanDerWaalsContact O-CG 3.23Å; F965-Q969 WeakPolarHBondContact O-CG 3.49Å; F965-Q969 PolarHBondContact O-N 2.91Å; H966-Q969 PolarHBondContact O-N 3.47Å; Q969-Y972 PolarHBondContact O-N 2.85Å; Q969-A973 WeakPolarHBondContact O-CB 3.47Å; Q969-A973 PolarHBondContact O-N 3.02Å |
| 970 | L | 90.3 | Very high | 90.2 | Very high | 88 Ų | 88 | 95.5 Ų | 95.5 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 171.6 | -81.4 | 166.2 | 0 | 0 | 0 | 111.8 | H966 E968 Y972 A973 E974 | H966-L970 PolarHBondContact O-N 2.95Å; E968-L970 VanDerWaalsContact C-N 3.34Å; E968-L970 PolarHBondContact O-N 3.23Å; L970-Y972 VanDerWaalsContact C-N 3.33Å; L970-Y972 PolarHBondContact O-N 3.35Å; L970-A973 PolarHBondContact O-N 3.21Å; L970-E974 WeakPolarHBondContact O-CB 3.49Å; L970-E974 PolarHBondContact O-N 2.94Å |
| 971 | K | 91.6 | Very high | 89.4 | Confident | 141 Ų | 141 | 99.9 Ų | 99.9 | 61% | 0.613 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.1 | -37 | 178.3 | -170.2 | 177.7 | -177.1 | -179.4 | 0 | 112.4 | M967 E968 M975 | M967-K971 WeakPolarHBondContact O-CB 3.14Å; M967-K971 PolarHBondContact O-N 2.81Å; E968-K971 WeakPolarHBondContact O-CB 3.3Å; E968-K971 PolarHBondContact O-N 2.95Å; E968-K971 VanDerWaalsContact O-N 3.15Å; K971-M975 WeakPolarHBondContact O-CB 3.39Å; K971-M975 PolarHBondContact O-N 2.78Å |
| 972 | Y | 91.3 | Very high | 88.8 | Confident | 131 Ų | 131 | 103 Ų | 103 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.3 | -37.4 | 174.8 | -171.1 | -126.1 | 0 | 0 | 0 | 112.4 | E968 Q969 L970 M975 R976 | E968-Y972 PolarHBondContact O-N 3.41Å; Q969-Y972 PolarHBondContact O-N 2.85Å; L970-Y972 VanDerWaalsContact C-N 3.33Å; L970-Y972 PolarHBondContact O-N 3.35Å; Y972-M975 PolarHBondContact O-N 3.44Å; Y972-R976 WeakPolarHBondContact O-CB 3.22Å; Y972-R976 PolarHBondContact O-N 3.27Å |
| 973 | A | 87.7 | Confident | 88 | Confident | 55 Ų | 55 | 101.6 Ų | 101.6 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q969 L970 R976 A977 | Q969-A973 WeakPolarHBondContact O-CB 3.47Å; Q969-A973 PolarHBondContact O-N 3.02Å; L970-A973 PolarHBondContact O-N 3.21Å; A973-R976 PolarHBondContact O-N 3.23Å; A973-A977 WeakPolarHBondContact O-CB 3.25Å; A973-A977 PolarHBondContact O-N 3.28Å |
| 974 | E | 90.3 | Very high | 87 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 174.1 | -168.4 | -163.6 | 175.3 | 0 | 0 | 111.5 | L970 A977 R978 | L970-E974 WeakPolarHBondContact O-CB 3.49Å; L970-E974 PolarHBondContact O-N 2.94Å; E974-A977 PolarHBondContact O-N 3.48Å; E974-R978 PolarHBondContact O-N 3.01Å; E974-R978 IonicContact OE1-CZ 3.35Å; E974-R978 IonicContact OE1-NH1 3.24Å; E974-R978 PolarHBondContact OE1-NH1 3.16Å; E974-R978 IonicContact OE1-NH2 2.81Å; E974-R978 PolarHBondContact OE1-NH2 2.98Å; E974-R978 IonicContact OE2-NH1 3.9Å |
| 975 | M | 89.6 | Confident | 85.8 | Confident | 90 Ų | 90 | 110.9 Ų | 110.9 | 44% | 0.443 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.6 | -168.4 | -172.2 | -55 | 0 | 0 | 111.8 | K971 Y972 R978 Q979 | K971-M975 WeakPolarHBondContact O-CB 3.39Å; K971-M975 PolarHBondContact O-N 2.78Å; Y972-M975 PolarHBondContact O-N 3.44Å; M975-R978 PolarHBondContact O-N 3.09Å; M975-Q979 WeakPolarHBondContact O-CG 3.19Å; M975-Q979 PolarHBondContact O-N 3.49Å |
| 976 | R | 90.6 | Very high | 84.8 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 49% | 0.494 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.6 | -177.5 | -177.3 | -65.8 | 175.8 | -1 | 111.7 | Y972 A973 Q979 Q980 | Y972-R976 WeakPolarHBondContact O-CB 3.22Å; Y972-R976 PolarHBondContact O-N 3.27Å; A973-R976 PolarHBondContact O-N 3.23Å; R976-Q979 PolarHBondContact O-N 2.96Å; R976-Q980 WeakPolarHBondContact O-CG 3.14Å; R976-Q980 PolarHBondContact O-N 3.43Å |
| 977 | A | 85.3 | Confident | 83.5 | Confident | 53 Ų | 53 | 115.6 Ų | 115.6 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | A973 E974 Q980 H981 | A973-A977 WeakPolarHBondContact O-CB 3.25Å; A973-A977 PolarHBondContact O-N 3.28Å; E974-A977 PolarHBondContact O-N 3.48Å; A977-Q980 PolarHBondContact O-N 3.45Å; A977-H981 WeakPolarHBondContact O-CB 3.49Å; A977-H981 PolarHBondContact O-N 2.92Å |
| 978 | R | 87 | Confident | 82 | Confident | 140 Ų | 140 | 118.8 Ų | 118.8 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60 | -46.9 | 171.6 | -79 | -163.5 | 179 | 92.9 | 13 | 111.8 | E974 M975 Q980 H981 F982 | E974-R978 PolarHBondContact O-N 3.01Å; E974-R978 IonicContact OE1-CZ 3.35Å; E974-R978 IonicContact OE1-NH1 3.24Å; E974-R978 PolarHBondContact OE1-NH1 3.16Å; E974-R978 IonicContact OE1-NH2 2.81Å; E974-R978 PolarHBondContact OE1-NH2 2.98Å; E974-R978 IonicContact OE2-NH1 3.9Å; M975-R978 PolarHBondContact O-N 3.09Å; R978-Q980 VanDerWaalsContact C-N 3.33Å; R978-Q980 PolarHBondContact O-N 3.15Å; R978-H981 PolarHBondContact O-N 3.33Å; R978-F982 WeakPolarHBondContact O-CD2 3.23Å; R978-F982 PolarHBondContact O-N 3.26Å |
| 979 | Q | 84.1 | Confident | 80.4 | Confident | 121 Ų | 121 | 120.8 Ų | 120.8 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.1 | -44.8 | 178.2 | -73.1 | 169.7 | 1.3 | 0 | 0 | 111.7 | M975 R976 F982 Q983 | M975-Q979 WeakPolarHBondContact O-CG 3.19Å; M975-Q979 PolarHBondContact O-N 3.49Å; R976-Q979 PolarHBondContact O-N 2.96Å; Q979-F982 PolarHBondContact O-N 3.36Å; Q979-Q983 WeakPolarHBondContact O-CB 3.34Å; Q979-Q983 PolarHBondContact O-N 2.91Å |
| 980 | Q | 81.4 | Confident | 78.7 | Confident | 108 Ų | 108 | 124.2 Ų | 124.2 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.4 | -42.1 | 176.2 | -71.3 | 171.8 | -22.2 | 0 | 0 | 112.5 | R976 A977 R978 Q983 Q984 | R976-Q980 WeakPolarHBondContact O-CG 3.14Å; R976-Q980 PolarHBondContact O-N 3.43Å; A977-Q980 PolarHBondContact O-N 3.45Å; R978-Q980 VanDerWaalsContact C-N 3.33Å; R978-Q980 PolarHBondContact O-N 3.15Å; Q980-Q983 WeakPolarHBondContact O-CB 3.13Å; Q980-Q983 PolarHBondContact O-N 3.38Å; Q980-Q984 PolarHBondContact O-N 2.93Å |
| 981 | H | 77.3 | Confident | 76.6 | Confident | 110 Ų | 110 | 128.8 Ų | 128.8 | 51% | 0.509 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.5 | -43.2 | 176.1 | -178 | -86.2 | 0 | 0 | 0 | 112.6 | A977 R978 Q983 Q984 M985 | A977-H981 WeakPolarHBondContact O-CB 3.49Å; A977-H981 PolarHBondContact O-N 2.92Å; R978-H981 PolarHBondContact O-N 3.33Å; H981-Q983 VanDerWaalsContact C-N 3.27Å; H981-Q983 PolarHBondContact O-N 2.78Å; H981-Q984 PolarHBondContact O-N 3.4Å; H981-M985 WeakPolarHBondContact O-CG 3.32Å; H981-M985 PolarHBondContact O-N 3.1Å |
| 982 | F | 81.8 | Confident | 74.3 | Confident | 148 Ų | 148 | 127.8 Ų | 127.8 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.1 | -36.9 | 173.6 | -93.9 | -89.9 | 0 | 0 | 0 | 112 | R978 Q979 H986 | R978-F982 WeakPolarHBondContact O-CD2 3.23Å; R978-F982 PolarHBondContact O-N 3.26Å; Q979-F982 PolarHBondContact O-N 3.36Å; F982-H986 PolarHBondContact O-N 2.87Å; F982-H986 VanDerWaalsContact O-N 3.16Å |
| 983 | Q | 76 | Confident | 71.9 | Confident | 140 Ų | 140 | 127.1 Ų | 127.1 | 65% | 0.654 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.8 | -39.7 | 176.6 | -164.5 | 169.9 | 40.1 | 0 | 0 | 112.3 | Q979 Q980 H981 H986 Q987 | Q979-Q983 WeakPolarHBondContact O-CB 3.34Å; Q979-Q983 PolarHBondContact O-N 2.91Å; Q980-Q983 WeakPolarHBondContact O-CB 3.13Å; Q980-Q983 PolarHBondContact O-N 3.38Å; H981-Q983 VanDerWaalsContact C-N 3.27Å; H981-Q983 PolarHBondContact O-N 2.78Å; Q983-H986 PolarHBondContact O-N 3.4Å; Q983-Q987 PolarHBondContact O-N 2.99Å |
| 984 | Q | 71.9 | Confident | 70.2 | Confident | 131 Ų | 131 | 130.7 Ų | 130.7 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.2 | -44.2 | 174 | -75.2 | -179 | -15.2 | 0 | 0 | 112.5 | Q980 H981 H986 Q987 Q988 | Q980-Q984 PolarHBondContact O-N 2.93Å; H981-Q984 PolarHBondContact O-N 3.4Å; Q984-H986 VanDerWaalsContact C-N 3.28Å; Q984-H986 PolarHBondContact O-N 3.04Å; Q984-Q987 PolarHBondContact O-N 3.01Å; Q984-Q988 PolarHBondContact O-N 3.27Å |
| 985 | M | 68.8 | Low | 67.7 | Low | 110 Ų | 110 | 131 Ų | 131 | 54% | 0.542 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -58 | -39.3 | 175.5 | -78.3 | -67.3 | -64.8 | 0 | 0 | 112.4 | H981 Q987 | H981-M985 WeakPolarHBondContact O-CG 3.32Å; H981-M985 PolarHBondContact O-N 3.1Å; M985-Q987 VanDerWaalsContact C-N 3.26Å; M985-Q987 PolarHBondContact O-N 2.93Å |
| 986 | H | 71.8 | Confident | 65.4 | Low | 149 Ų | 149 | 134.8 Ų | 134.8 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.1 | -30.8 | 174.5 | -119.7 | 79.6 | 0 | 0 | 0 | 113.3 | F982 Q983 Q984 | F982-H986 PolarHBondContact O-N 2.87Å; F982-H986 VanDerWaalsContact O-N 3.16Å; Q983-H986 PolarHBondContact O-N 3.4Å; Q984-H986 VanDerWaalsContact C-N 3.28Å; Q984-H986 PolarHBondContact O-N 3.04Å |
| 987 | Q | 63.4 | Low | 63.5 | Low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -86.2 | -24.5 | -175.6 | -163.1 | 155.3 | 88.8 | 0 | 0 | 112.8 | Q983 Q984 M985 | Q983-Q987 PolarHBondContact O-N 2.99Å; Q984-Q987 PolarHBondContact O-N 3.01Å; M985-Q987 VanDerWaalsContact C-N 3.26Å; M985-Q987 PolarHBondContact O-N 2.93Å |
| 988 | Q | 59.1 | Low | 61.8 | Low | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -85.1 | -8.3 | -178.4 | -159.2 | 159.1 | 35.9 | 0 | 0 | 114.3 | Q984 Q990 | Q984-Q988 PolarHBondContact O-N 3.27Å; Q988-Q990 PolarHBondContact O-N 3.28Å |
| 989 | Q | 58.8 | Low | 59.6 | Low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 11.3 | -177 | -153.9 | 168.4 | 34.1 | 0 | 0 | 114.7 | ||
| 990 | Q | 55.8 | Low | 57.3 | Low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 16.7 | -170.8 | -68.8 | -164.4 | -4.2 | 0 | 0 | 117 | Q988 | Q988-Q990 PolarHBondContact O-N 3.28Š|
| 991 | Q | 45.3 | Very low | 55.2 | Low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -134.9 | 142.4 | 175.5 | -71.7 | -167.3 | -16.9 | 0 | 0 | 114.9 | ||||
| 992 | P | 44 | Very low | 54.5 | Low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -97.6 | 159.8 | -178.2 | 38.3 | -36 | 0 | 0 | 0 | 114.7 | ||||
| 993 | P | 39.6 | Very low | 52.4 | Low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -98 | 176.2 | 174.2 | 39 | -35.8 | 0 | 0 | 0 | 113.5 | ||||
| 994 | P | 53.1 | Low | 51.9 | Low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | cis | -139.1 | 171.1 | -31.2 | 36.3 | -18.9 | 0 | 0 | 0 | 115.5 | ||||
| 995 | A | 36.3 | Very low | 51.4 | Low | 102 Ų | 102 | 135.1 Ų | 135.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -158.5 | 169.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 996 | L | 41.8 | Very low | 50.1 | Low | 170 Ų | 170 | 136.9 Ų | 136.9 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -149.5 | 167.4 | -168.1 | -86.5 | 167.5 | 0 | 0 | 0 | 112.9 | ||||
| 997 | P | 52 | Low | 48.6 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | cis | -127.2 | -127.1 | -11.7 | 38.4 | -16.5 | 0 | 0 | 0 | 111.2 | ||||
| 998 | P | 49.3 | Very low | 47.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | cis | -134.6 | 169 | -39.6 | 38.4 | -20.8 | 0 | 0 | 0 | 117.7 | ||||
| 999 | G | 39.6 | Very low | 46.6 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | 84.2 | 175.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1000 | S | 36 | Very low | 45.7 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | cis | -178.7 | 125.9 | -28.7 | 50.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1001 | Q | 37.5 | Very low | 45.5 | Very low | 182 Ų | 182 | 122 Ų | 122 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | 71.7 | 156.1 | 149.4 | -63.3 | -58.3 | -52.3 | 0 | 0 | 122.5 | ||||
| 1002 | P | 62.3 | Low | 45.7 | Very low | 98 Ų | 98 | 119 Ų | 119 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | trans | -145.6 | -164.6 | -140.6 | 39.5 | -14.9 | 0 | 0 | 0 | 119.5 | ||||
| 1003 | I | 38.8 | Very low | 45.4 | Very low | 160 Ų | 160 | 117.7 Ų | 117.7 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | 137.4 | 127.1 | 145.5 | -70.8 | 162.7 | 0 | 0 | 0 | 118.4 | ||||
| 1004 | P | 63.6 | Low | 45.5 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -143.5 | 162 | 171.8 | 42.2 | -25.9 | 0 | 0 | 0 | 120.2 | ||||
| 1005 | P | 61.8 | Low | 44.9 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | trans | -147 | 174.8 | -179.8 | 45.2 | -27.7 | 0 | 0 | 0 | 122.1 | ||||
| 1006 | T | 41.3 | Very low | 45 | Very low | 147 Ų | 147 | 121.3 Ų | 121.3 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | 70 | 161.3 | 161 | 57.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1007 | G | 40.8 | Very low | 44.8 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | cis | 163.5 | 152.7 | -14.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1008 | A | 41.1 | Very low | 44.1 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | 70.1 | 170.1 | 162 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1009 | A | 40.7 | Very low | 43.7 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | cis | -176 | 156.7 | -43.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1010 | G | 38 | Very low | 43.9 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 144.2 | 130.8 | 164 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1011 | P | 52.9 | Low | 44.2 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -122.3 | -155.6 | 178.8 | 45.8 | -34.1 | 0 | 0 | 0 | 114.3 | ||||
| 1012 | P | 49.1 | Very low | 44 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | cis | -143.6 | -165.5 | -8.1 | 45.2 | -24.4 | 0 | 0 | 0 | 118.6 | ||||
| 1013 | A | 37.2 | Very low | 43.1 | Very low | 91 Ų | 91 | 117 Ų | 117 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | 92.6 | 159.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1014 | V | 42.3 | Very low | 43.1 | Very low | 149 Ų | 149 | 114.8 Ų | 114.8 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | trans | 81.1 | 173 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1015 | H | 40.2 | Very low | 42.6 | Very low | 197 Ų | 197 | 114 Ų | 114 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -106 | 146.5 | -150.5 | -71.7 | -110.5 | 0 | 0 | 0 | 118.6 | ||||
| 1016 | G | 37.6 | Very low | 41.8 | Very low | 79 Ų | 79 | 114.4 Ų | 114.4 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 78.9 | 150.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1017 | L | 38.1 | Very low | 41.6 | Very low | 169 Ų | 169 | 111.6 Ų | 111.6 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | cis | -161.5 | 135.5 | -2.2 | -126.6 | 174.2 | 0 | 0 | 0 | 109.9 | ||||
| 1018 | A | 38.6 | Very low | 41.6 | Very low | 92 Ų | 92 | 114.4 Ų | 114.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | 59.8 | 152.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1019 | V | 40.8 | Very low | 41.1 | Very low | 146 Ų | 146 | 114.1 Ų | 114.1 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | cis | -155.5 | 117.9 | -40.5 | 165.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1020 | A | 42.3 | Very low | 40.5 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -176.7 | 156.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1021 | P | 42.7 | Very low | 40 | Very low | 102 Ų | 102 | 114.5 Ų | 114.5 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | trans | -120.4 | -177.4 | 170.7 | 38.4 | -25 | 0 | 0 | 0 | 116.6 | ||||
| 1022 | A | 34.1 | Very low | 38.9 | Very low | 79 Ų | 79 | 111.8 Ų | 111.8 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | trans | -121.6 | -127 | -153.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | P1120 | A1022-P1120 WeakPolarHBondContact O-CD 3.49Š| ||
| 1023 | S | 43.7 | Very low | 37.8 | Very low | 91 Ų | 91 | 110.6 Ų | 110.6 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -130.3 | 154.8 | -161 | -61.8 | 0 | 0 | 0 | 0 | 117.3 | P1120 | S1023-P1120 VanDerWaalsContact N-CD 3.27Å; S1023-P1120 WeakPolarHBondContact O-CG 3.34Å | ||
| 1024 | V | 38.8 | Very low | 38.6 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | 104.6 | 157 | 157.8 | -168.5 | 0 | 0 | 0 | 0 | 119.2 | P1119 P1120 | V1024-P1119 PolarHBondContact N-O 3.48Å; V1024-P1120 WeakPolarHBondContact O-CG 3.29Å | ||
| 1025 | V | 53.7 | Low | 38.9 | Very low | 105 Ų | 105 | 111 Ų | 111 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | -131.8 | 132.6 | -177.5 | 169 | 0 | 0 | 0 | 0 | 107.8 | P1119 | V1025-P1119 HydrophobicContact CG2-CG 4.25Š| ||
| 1026 | P | 45 | Very low | 38.4 | Very low | 121 Ų | 121 | 105.2 Ų | 105.2 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | -150.3 | -171.2 | 74.1 | 42.1 | -21.6 | 0 | 0 | 0 | 116.3 | |||||
| 1027 | A | 36.4 | Very low | 38.2 | Very low | 89 Ų | 89 | 106.8 Ų | 106.8 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -79.1 | 158.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1028 | P | 40.9 | Very low | 37.9 | Very low | 133 Ų | 133 | 107 Ų | 107 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | -141.4 | -166.1 | 83.1 | 41 | -25.7 | 0 | 0 | 0 | 114 | |||||
| 1029 | A | 29.5 | Very low | 37.5 | Very low | 105 Ų | 105 | 106 Ų | 106 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | trans | -96.7 | 170.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1030 | G | 28.3 | Very low | 37.9 | Very low | 68 Ų | 68 | 104.8 Ų | 104.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 138.5 | 88.5 | 151 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1031 | S | 28.9 | Very low | 37.3 | Very low | 129 Ų | 129 | 105.2 Ų | 105.2 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | 40 | 123.9 | 130.1 | 58.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1032 | G | 28 | Very low | 36.6 | Very low | 72 Ų | 72 | 108.6 Ų | 108.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -176.8 | 126.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1033 | A | 27.3 | Very low | 36.5 | Very low | 96 Ų | 96 | 113 Ų | 113 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | cis | 66.8 | 147.7 | 17.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1034 | P | 54.5 | Low | 35.9 | Very low | 122 Ų | 122 | 115.9 Ų | 115.9 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -120.1 | -140.9 | -37.9 | 36.3 | -17 | 0 | 0 | 0 | 107.6 | ||||
| 1035 | P | 47 | Very low | 35.4 | Very low | 126 Ų | 126 | 114 Ų | 114 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -132.7 | 172.9 | -15.8 | 40.7 | -23.2 | 0 | 0 | 0 | 116.3 | ||||
| 1036 | G | 30.5 | Very low | 34.2 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -164.7 | 142.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1037 | S | 32.8 | Very low | 33.4 | Very low | 112 Ų | 112 | 118 Ų | 118 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -150.6 | 174.4 | -162.2 | -169.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1038 | L | 32.2 | Very low | 33 | Very low | 173 Ų | 173 | 117.3 Ų | 117.3 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | 76.3 | 141.5 | 175.8 | -46 | 172.7 | 0 | 0 | 0 | 114.6 | ||||
| 1039 | G | 30.2 | Very low | 32.3 | Very low | 70 Ų | 70 | 116.3 Ų | 116.3 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | 172.7 | -171.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1040 | P | 48.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 118 Ų | 118 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | cis | -136.3 | -167.3 | 0.3 | 43.9 | -25.9 | 0 | 0 | 0 | 115.4 | ||||
| 1041 | S | 30 | Very low | 32 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 70.3 | 137.8 | 157.5 | -62.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1042 | E | 28.4 | Very low | 31.9 | Very low | 174 Ų | 174 | 116.9 Ų | 116.9 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | cis | -140.1 | 147.4 | -7.4 | -89.3 | 160.6 | 99.6 | 0 | 0 | 106.9 | ||||
| 1043 | Q | 31.6 | Very low | 32.9 | Very low | 171 Ų | 171 | 118.5 Ų | 118.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | 59.3 | 137.7 | 63.9 | -67.2 | -155.9 | -24.1 | 0 | 0 | 115.2 | |||||
| 1044 | I | 31.5 | Very low | 32.8 | Very low | 152 Ų | 152 | 121.2 Ų | 121.2 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -156.4 | 156.3 | -2.4 | -112.3 | 164 | 0 | 0 | 0 | 109.1 | ||||
| 1045 | G | 27.8 | Very low | 31.7 | Very low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 166.8 | 144.1 | 165 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1046 | Q | 28.6 | Very low | 30.9 | Very low | 200 Ų | 200 | 124.2 Ų | 124.2 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | trans | -132 | 163.3 | -178.2 | -81.1 | -170.4 | -9.2 | 0 | 0 | 113.8 | ||||
| 1047 | A | 29.2 | Very low | 30.9 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | 94 | 148.5 | 150 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1048 | G | 26.6 | Very low | 31.5 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 140 | 124.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1049 | S | 27.2 | Very low | 31.3 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -126.3 | 156.1 | -178.1 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1050 | T | 24.4 | Very low | 31.2 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | 52.3 | 115.3 | 150.5 | 51.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1051 | A | 26.2 | Very low | 30.6 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | -177.3 | 154.5 | 121 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1052 | G | 26.9 | Very low | 31.6 | Very low | 70 Ų | 70 | 124.7 Ų | 124.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -102.7 | -138.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1053 | P | 48.4 | Very low | 31.7 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | cis | -142.3 | -172.4 | -1.7 | 44.9 | -27.9 | 0 | 0 | 0 | 115 | ||||
| 1054 | Q | 26.3 | Very low | 32.9 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | 64.3 | 162.5 | 161.6 | -69.3 | 166.9 | -105.3 | 0 | 0 | 115.8 | ||||
| 1055 | Q | 30.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | cis | -151.3 | 171.2 | -16 | -115.1 | 163 | -22.4 | 0 | 0 | 105.4 | ||||
| 1056 | Q | 30.8 | Very low | 33 | Very low | 169 Ų | 169 | 120.2 Ų | 120.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | cis | -160.8 | 157.1 | 22 | -140.8 | 159.4 | 11.4 | 0 | 0 | 110.2 | ||||
| 1057 | Q | 31.5 | Very low | 33.1 | Very low | 180 Ų | 180 | 117.3 Ų | 117.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -104.2 | 164.9 | 160.5 | -117.2 | -176.7 | 15.2 | 0 | 0 | 108.3 | ||||
| 1058 | P | 43.7 | Very low | 34.3 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | -139.8 | -166.1 | 51.8 | 42.2 | -22.7 | 0 | 0 | 0 | 112.9 | |||||
| 1059 | A | 28.3 | Very low | 35.5 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | cis | -138.1 | 169.3 | 0.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1060 | G | 28.8 | Very low | 35.7 | Very low | 66 Ų | 66 | 117.9 Ų | 117.9 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | cis | 81.5 | 110.7 | 47 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1061 | A | 36.2 | Very low | 36 | Very low | 97 Ų | 97 | 118 Ų | 118 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | cis | 60.9 | 149.7 | 33.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1062 | P | 50 | Low | 37.2 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -145.3 | -158.7 | 12.1 | 40.9 | -18.3 | 0 | 0 | 0 | 116 | ||||
| 1063 | Q | 31.3 | Very low | 38.9 | Very low | 183 Ų | 183 | 120.5 Ų | 120.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | 85.9 | 161.1 | 143.9 | -87.6 | -158.4 | 30.2 | 0 | 0 | 123.1 | ||||
| 1064 | P | 55.9 | Low | 39.4 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -106.9 | 164.6 | -165.2 | 41.5 | -35.6 | 0 | 0 | 0 | 115.8 | ||||
| 1065 | G | 29.4 | Very low | 39.7 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -162.7 | 160.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1066 | A | 31.8 | Very low | 40.9 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -131.3 | 142.4 | -155.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1067 | V | 30.7 | Very low | 41.1 | Very low | 138 Ų | 138 | 116 Ų | 116 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 69.7 | 177.6 | 156.3 | -129.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1068 | P | 56 | Low | 41.1 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | -109.4 | -149.3 | -117 | 46.5 | -29.8 | 0 | 0 | 0 | 112.4 | |||||
| 1069 | P | 51.6 | Low | 41.3 | Very low | 126 Ų | 126 | 111.1 Ų | 111.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -132.1 | -172.9 | -15.7 | 41.8 | -24.5 | 0 | 0 | 0 | 114.6 | ||||
| 1070 | G | 30 | Very low | 42 | Very low | 70 Ų | 70 | 111.3 Ų | 111.3 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 162.5 | 143.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1071 | V | 31.6 | Very low | 43 | Very low | 142 Ų | 142 | 114.3 Ų | 114.3 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -162.3 | -171.7 | -173.3 | -76 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1072 | P | 50.7 | Low | 43.1 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | -119.2 | -83.1 | -12 | 16.1 | 7.4 | 0 | 0 | 0 | 122.1 | ||||
| 1073 | P | 63.5 | Low | 43.1 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -127.7 | -170.9 | -139.5 | 46.9 | -30.1 | 0 | 0 | 0 | 115.4 | ||||
| 1074 | P | 57.9 | Low | 43.2 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -135.1 | 178.7 | 8 | 43.4 | -25.2 | 0 | 0 | 0 | 118.2 | ||||
| 1075 | G | 32.9 | Very low | 42 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | -100.7 | -127.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1076 | P | 57.2 | Low | 42.1 | Very low | 111 Ų | 111 | 123 Ų | 123 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | cis | -106 | -156.2 | -6.1 | 14.9 | 11.1 | 0 | 0 | 0 | 110.4 | ||||
| 1077 | H | 33.2 | Very low | 42 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | cis | -139.4 | -172.5 | 7.7 | -54.6 | -113.5 | 0 | 0 | 0 | 108.6 | ||||
| 1078 | G | 31.6 | Very low | 43.2 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | 97.8 | 145.2 | -0.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1079 | P | 48.4 | Very low | 43.2 | Very low | 131 Ų | 131 | 124 Ų | 124 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | cis | -130.8 | 175.6 | -8.8 | 42.4 | -26.4 | 0 | 0 | 0 | 115.7 | ||||
| 1080 | S | 42.4 | Very low | 42.1 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | -95.6 | -170.5 | 165.4 | -45.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1081 | P | 49.7 | Very low | 41.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | -143.9 | 162.5 | 103.4 | 38 | -23.7 | 0 | 0 | 0 | 117.5 | |||||
| 1082 | F | 38.8 | Very low | 41.8 | Very low | 188 Ų | 188 | 130.6 Ų | 130.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -91.9 | -164.2 | 170.4 | -97 | -82 | 0 | 0 | 0 | 109.5 | ||||
| 1083 | P | 50.7 | Low | 41.4 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | cis | -150.6 | -166.4 | 20.6 | 53.1 | -32.4 | 0 | 0 | 0 | 115.4 | ||||
| 1084 | N | 33.6 | Very low | 39.7 | Very low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | -160 | 175.6 | -8.8 | -140 | -13.1 | 0 | 0 | 0 | 115.2 | ||||
| 1085 | Q | 30 | Very low | 38.3 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 90.5 | 157.2 | 146.6 | -85.6 | -175.5 | 105.7 | 0 | 0 | 122.6 | ||||
| 1086 | Q | 32.3 | Very low | 38.4 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -149.6 | 140.6 | -158.7 | -60.3 | 172.2 | -33.3 | 0 | 0 | 112.6 | ||||
| 1087 | T | 30.2 | Very low | 37.9 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | 55.3 | 171.1 | 142.6 | 60.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1088 | P | 55.5 | Low | 37.7 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | -122.2 | -130.7 | -33.9 | 25.9 | -1.9 | 0 | 0 | 0 | 110.6 | ||||
| 1089 | P | 55.5 | Low | 37.9 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -111.2 | -161.3 | -90.3 | 38.9 | -24.6 | 0 | 0 | 0 | 113.9 | |||||
| 1090 | S | 28.1 | Very low | 36.9 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 108.8 | 179.9 | 156.1 | -151.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1091 | M | 26.6 | Very low | 36.3 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -89.3 | 169.3 | -159.4 | -61.4 | 173.3 | 171.9 | 0 | 0 | 115.5 | ||||
| 1092 | M | 28.6 | Very low | 36.2 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -52 | 167.6 | 166.9 | -59 | -78.6 | -87.5 | 0 | 0 | 113.3 | ||||
| 1093 | P | 43.4 | Very low | 35.9 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -145.9 | 169 | 18.9 | 42.3 | -22.8 | 0 | 0 | 0 | 119.9 | ||||
| 1094 | G | 27.1 | Very low | 35.1 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 91.1 | 166.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1095 | A | 29.4 | Very low | 34.8 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | cis | -170.3 | 153.7 | -19.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1096 | V | 33.3 | Very low | 34.8 | Very low | 142 Ų | 142 | 118.3 Ų | 118.3 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | 57.6 | 164.1 | 158.4 | -66.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1097 | P | 48.7 | Very low | 34.6 | Very low | 127 Ų | 127 | 118.8 Ų | 118.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | cis | -123.7 | 161.4 | -9.9 | 31.2 | -12.8 | 0 | 0 | 0 | 115.8 | ||||
| 1098 | G | 28.8 | Very low | 34.4 | Very low | 69 Ų | 69 | 117 Ų | 117 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -177.9 | 101.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1099 | S | 34 | Very low | 34.1 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 38.9 | 120.9 | 157.8 | 59.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1100 | G | 28.2 | Very low | 32.8 | Very low | 81 Ų | 81 | 116.8 Ų | 116.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | 100.5 | 79 | 122.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1101 | H | 30.4 | Very low | 32.9 | Very low | 169 Ų | 169 | 111.8 Ų | 111.8 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | trans | -77.2 | 175.5 | 159.3 | -109.9 | -107.1 | 0 | 0 | 0 | 111.9 | ||||
| 1102 | P | 47.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 108.6 Ų | 108.6 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | cis | -123.3 | 167.3 | -2.6 | 36.5 | -20.2 | 0 | 0 | 0 | 114 | ||||
| 1103 | G | 31.9 | Very low | 34.2 | Very low | 62 Ų | 62 | 102.8 Ų | 102.8 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | cis | -174.2 | -137.7 | 8.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1104 | V | 32.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 104.2 Ų | 104.2 | 81% | 0.806 | 71% | 0.71 | S | S | * | * | cis | 160.7 | 141.5 | -26 | 148.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1105 | A | 29.2 | Very low | 33.9 | Very low | 94 Ų | 94 | 104.1 Ų | 104.1 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | cis | -170.5 | 160.3 | -29 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1106 | G | 28.3 | Very low | 34.1 | Very low | 70 Ų | 70 | 109.3 Ų | 109.3 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | cis | 135.2 | 99.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1107 | N | 28.5 | Very low | 35.1 | Very low | 178 Ų | 178 | 108.4 Ų | 108.4 | 95% | 0.952 | 72% | 0.718 | S | S | * | * | trans | -151.7 | 158.8 | -179.3 | -103.8 | -13.5 | 0 | 0 | 0 | 114.6 | ||||
| 1108 | A | 25.7 | Very low | 35.2 | Very low | 89 Ų | 89 | 107.6 Ų | 107.6 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | -139.2 | -149.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1109 | P | 50 | Low | 36.3 | Very low | 107 Ų | 107 | 108.1 Ų | 108.1 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | cis | -140.3 | -157.5 | -15.5 | 30 | -3.6 | 0 | 0 | 0 | 114.3 | ||||
| 1110 | L | 28.6 | Very low | 36.7 | Very low | 125 Ų | 125 | 104.3 Ų | 104.3 | 65% | 0.654 | 68% | 0.676 | S | S | * | * | trans | 88.5 | 151.3 | 159.9 | -47.4 | 179.4 | 0 | 0 | 0 | 118.4 | A964 | A964-L1110 HydrophobicContact CB-CB 3.99Š| ||
| 1111 | G | 29.3 | Very low | 37.8 | Very low | 14 Ų | 14 | 105.1 Ų | 105.1 | 14% | 0.144 | 67% | 0.666 | C | S | . | * | cis | -161.6 | -170.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 115 | A960 | A960-G1111 VanDerWaalsContact CA-O 3.31Å; A960-G1111 WeakPolarHBondContact CA-O 3.48Å; A960-G1111 WeakPolarHBondContact CB-O 3.17Å; A960-G1111 CarbonylContact O-C 3.25Å; A960-G1111 PolarHBondContact O-N 3.43Å | ||
| 1112 | L | 34.6 | Very low | 39.3 | Very low | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 66% | 0.662 | S | S | * | * | trans | -155.8 | 163.3 | -168.5 | -66.4 | 175.4 | 0 | 0 | 0 | 111.7 | Q963 M967 | Q963-L1112 VanDerWaalsContact CB-CA 3.47Å; M967-L1112 VanDerWaalsContact CE-O 3.24Å; M967-L1112 WeakPolarHBondContact CE-O 3.45Å | ||
| 1113 | P | 48.4 | Very low | 39.2 | Very low | 54 Ų | 54 | 102.5 Ų | 102.5 | 35% | 0.351 | 66% | 0.664 | S | S | . | * | cis | -134.3 | -148.2 | -10.7 | 41.5 | -20.2 | 0 | 0 | 0 | 115 | Q963 | Q963-P1113 VanDerWaalsContact CD-CA 3.46Å; Q963-P1113 WeakPolarHBondContact CG-O 3.2Å | ||
| 1114 | F | 33.8 | Very low | 39.3 | Very low | 153 Ų | 153 | 104 Ų | 104 | 67% | 0.671 | 67% | 0.67 | S | S | * | * | trans | 95 | 154.4 | 167.2 | -56.1 | -61.9 | 0 | 0 | 0 | 120.4 | ||||
| 1115 | G | 30.8 | Very low | 40.1 | Very low | 72 Ų | 72 | 102.9 Ų | 102.9 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | cis | -157.5 | -164.1 | 8.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1116 | M | 32.4 | Very low | 40.3 | Very low | 193 Ų | 193 | 103.4 Ų | 103.4 | 95% | 0.951 | 66% | 0.664 | S | S | * | * | trans | -118.9 | 155.8 | -157.8 | -69.6 | 168.8 | 59.9 | 0 | 0 | 118.7 | ||||
| 1117 | P | 54.4 | Low | 40.4 | Very low | 124 Ų | 124 | 106.8 Ų | 106.8 | 81% | 0.805 | 66% | 0.664 | S | S | * | * | trans | -128.8 | 174.5 | 178.1 | 43.9 | -31.9 | 0 | 0 | 0 | 118.7 | ||||
| 1118 | P | 50.7 | Low | 40.5 | Very low | 109 Ų | 109 | 105.3 Ų | 105.3 | 71% | 0.708 | 65% | 0.654 | S | S | * | * | trans | -130.5 | 172.9 | -178.7 | 42.4 | -27.3 | 0 | 0 | 0 | 118.9 | ||||
| 1119 | P | 52.1 | Low | 41.7 | Very low | 81 Ų | 81 | 106 Ų | 106 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | trans | -95.9 | 172.6 | 173.2 | 40.6 | -37.9 | 0 | 0 | 0 | 114.4 | V1024 V1025 | V1024-P1119 PolarHBondContact N-O 3.48Å; V1025-P1119 HydrophobicContact CG2-CG 4.25Å | ||
| 1120 | P | 42.9 | Very low | 40.9 | Very low | 47 Ų | 47 | 111 Ų | 111 | 31% | 0.305 | 66% | 0.663 | S | S | . | * | -157 | -153.3 | 65.1 | 47.6 | -22.4 | 0 | 0 | 0 | 114.3 | A1022 S1023 V1024 | A1022-P1120 WeakPolarHBondContact O-CD 3.49Å; S1023-P1120 VanDerWaalsContact N-CD 3.27Å; S1023-P1120 WeakPolarHBondContact O-CG 3.34Å; V1024-P1120 WeakPolarHBondContact O-CG 3.29Å | |||
| 1121 | P | 50.8 | Low | 41 | Very low | 97 Ų | 97 | 108.7 Ų | 108.7 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | trans | -119.6 | -119.1 | -171.5 | 28.6 | -5.9 | 0 | 0 | 0 | 121.2 | ||||
| 1122 | P | 62.4 | Low | 41.1 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | -127.6 | -169.3 | -113.1 | 44.2 | -26.5 | 0 | 0 | 0 | 116 | |||||
| 1123 | P | 45.6 | Very low | 41 | Very low | 130 Ų | 130 | 115.9 Ų | 115.9 | 84% | 0.844 | 71% | 0.712 | S | S | * | * | -153.5 | -168.9 | 88.1 | 42.1 | -21.5 | 0 | 0 | 0 | 116.7 | |||||
| 1124 | A | 33.1 | Very low | 40.2 | Very low | 92 Ų | 92 | 117.3 Ų | 117.3 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | trans | -118.4 | -172.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1125 | P | 50.8 | Low | 40.1 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | cis | -150.5 | -172.5 | 38 | 44.7 | -22.9 | 0 | 0 | 0 | 118.6 | ||||
| 1126 | S | 33.2 | Very low | 40.1 | Very low | 104 Ų | 104 | 119 Ų | 119 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 68.8 | 156.2 | 151.1 | -63.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1127 | I | 31.1 | Very low | 40.1 | Very low | 142 Ų | 142 | 117 Ų | 117 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | cis | 173.1 | 148.6 | -21.9 | -149.1 | 163.8 | 0 | 0 | 0 | 104.1 | ||||
| 1128 | I | 30.5 | Very low | 38.7 | Very low | 146 Ų | 146 | 115.9 Ų | 115.9 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | cis | -164.6 | -163.5 | -14.2 | 42.9 | 175.5 | 0 | 0 | 0 | 104.8 | ||||
| 1129 | P | 50.1 | Low | 37.8 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | cis | -135.8 | -178.9 | -7.6 | 44.8 | -26.7 | 0 | 0 | 0 | 116.8 | ||||
| 1130 | F | 32.3 | Very low | 36.8 | Very low | 214 Ų | 214 | 120.9 Ų | 120.9 | 94% | 0.939 | 74% | 0.737 | S | S | * | * | trans | 18 | 136.3 | 150.7 | -82.9 | -91.3 | 0 | 0 | 0 | 125.1 | ||||
| 1131 | G | 31.1 | Very low | 36.2 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -162.6 | 162.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1132 | S | 31.5 | Very low | 35.9 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -138.1 | 131 | -165.7 | -175 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1133 | L | 33.5 | Very low | 35.4 | Very low | 167 Ų | 167 | 127 Ų | 127 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 52.8 | 142.6 | 150.4 | -75.7 | 169.1 | 0 | 0 | 0 | 124 | ||||
| 1134 | A | 31.6 | Very low | 35.8 | Very low | 83 Ų | 83 | 126.4 Ų | 126.4 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | 83.8 | 96.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1135 | D | 30.1 | Very low | 36.8 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | 58.3 | 141.3 | 119.7 | -62.5 | -27.7 | 0 | 0 | 0 | 125.5 | |||||
| 1136 | S | 31.8 | Very low | 35.9 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 94.8 | 97.3 | 145.7 | -62.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1137 | I | 31.5 | Very low | 35.9 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | 81.3 | 135.7 | 122 | -67.8 | 165.8 | 0 | 0 | 0 | 121.2 | |||||
| 1138 | S | 26.3 | Very low | 36 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | 78 | 91.2 | 158.1 | -72.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1139 | I | 30.9 | Very low | 36 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | 51.6 | 108.4 | 116.4 | -60.2 | 173.9 | 0 | 0 | 0 | 120.3 | |||||
| 1140 | N | 31.1 | Very low | 35.3 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | 71.6 | 121 | 144 | -84.7 | -20 | 0 | 0 | 0 | 125 | ||||
| 1141 | L | 31 | Very low | 35.5 | Very low | 153 Ų | 153 | 128 Ų | 128 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | 74.1 | 156.4 | 142.9 | -96.1 | 70 | 0 | 0 | 0 | 118.5 | ||||
| 1142 | P | 44.3 | Very low | 35.7 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | -132.1 | -147.7 | -118.6 | 43.7 | -21.8 | 0 | 0 | 0 | 114 | |||||
| 1143 | P | 52.8 | Low | 35.7 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | -110.2 | -160.5 | -126.9 | 41.1 | -20.4 | 0 | 0 | 0 | 112.2 | |||||
| 1144 | P | 52.4 | Low | 35.6 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | cis | -132.5 | -144 | -1.4 | 34.7 | -9.1 | 0 | 0 | 0 | 112.5 | ||||
| 1145 | P | 55.5 | Low | 37 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | -126.4 | -178.7 | -68.8 | 34.3 | -16.8 | 0 | 0 | 0 | 116.4 | |||||
| 1146 | N | 31.3 | Very low | 37.2 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 98.9 | 128.5 | 141.2 | -79.8 | -17.5 | 0 | 0 | 0 | 125.5 | ||||
| 1147 | L | 32.5 | Very low | 37.2 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 71% | 0.707 | 75% | 0.751 | S | S | * | * | trans | 75 | 117 | 144.9 | -85.6 | 96 | 0 | 0 | 0 | 126.4 | ||||
| 1148 | H | 33.8 | Very low | 38.4 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | 50.5 | 136.8 | 133.3 | -67.7 | 86.1 | 0 | 0 | 0 | 125.4 | ||||
| 1149 | G | 30.6 | Very low | 38.8 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -179.4 | 158.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1150 | H | 35.9 | Very low | 38.8 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -133.2 | 158.8 | -160.1 | -110.7 | -106.1 | 0 | 0 | 0 | 117.5 | ||||
| 1151 | H | 35.9 | Very low | 38.9 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | 82.9 | 125.1 | 144.1 | -76 | -56.7 | 0 | 0 | 0 | 128.1 | ||||
| 1152 | H | 36.4 | Very low | 40.2 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | 84.4 | 132.7 | 128.8 | -77.3 | -51.2 | 0 | 0 | 0 | 129.3 | |||||
| 1153 | H | 30.8 | Very low | 40.9 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | 101.1 | 100.3 | 133.2 | -106.7 | -96.9 | 0 | 0 | 0 | 127 | ||||
| 1154 | L | 31.2 | Very low | 41.4 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | 26.7 | 171.1 | 122.5 | -62.9 | 176.6 | 0 | 0 | 0 | 124.6 | |||||
| 1155 | P | 61 | Low | 40.5 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -149.2 | 167.9 | -34 | 40.2 | -20.1 | 0 | 0 | 0 | 120.2 | ||||
| 1156 | F | 33.6 | Very low | 39.5 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | 50.2 | 157.7 | 144.9 | -83.9 | -88.2 | 0 | 0 | 0 | 127.5 | ||||
| 1157 | A | 32.7 | Very low | 40.3 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | trans | -168.4 | -165.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1158 | P | 55.9 | Low | 40.2 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | cis | -137.7 | -163.8 | -18.2 | 44.7 | -25.6 | 0 | 0 | 0 | 115.7 | ||||
| 1159 | G | 34.8 | Very low | 40 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 161.2 | 151.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1160 | T | 30.9 | Very low | 39.9 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | 70.7 | 114.7 | 145.3 | 35.9 | 0 | 0 | 0 | 0 | 129 | ||||
| 1161 | L | 32.5 | Very low | 39.6 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | 48.6 | 171.2 | 124.9 | -67.8 | 179.2 | 0 | 0 | 0 | 123.8 | |||||
| 1162 | P | 59 | Low | 39.3 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -123.8 | -96.2 | -6.5 | 20.9 | 4.4 | 0 | 0 | 0 | 122.7 | ||||
| 1163 | P | 60.3 | Low | 39.8 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | -116.4 | -83.5 | -119.5 | 34.6 | -17.5 | 0 | 0 | 0 | 128.9 | |||||
| 1164 | P | 62.4 | Low | 39.8 | Very low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | -130.8 | 161.1 | -116 | 40.9 | -25.6 | 0 | 0 | 0 | 123.8 | |||||
| 1165 | N | 34.4 | Very low | 39.9 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | 81.1 | 153.6 | 144.3 | -81.3 | -11.6 | 0 | 0 | 0 | 126.4 | ||||
| 1166 | L | 34.3 | Very low | 39.2 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -117.7 | 161.6 | -163.4 | -71.6 | 162.5 | 0 | 0 | 0 | 113.5 | ||||
| 1167 | P | 46.8 | Very low | 39 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -159.8 | 155 | 91.1 | 40.8 | -19.7 | 0 | 0 | 0 | 120.9 | |||||
| 1168 | V | 31.2 | Very low | 38.8 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 55.4 | 103.2 | 134.9 | -175.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1169 | S | 29.1 | Very low | 37.8 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 69.6 | 154.1 | 117.1 | -145.7 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 1170 | M | 28.8 | Very low | 37.6 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | 70.6 | 109 | 164.6 | -60.6 | -160.1 | -172.6 | 0 | 0 | 121.8 | ||||
| 1171 | A | 29 | Very low | 37.5 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | -177.6 | 145.5 | 109.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1172 | N | 29.4 | Very low | 37.4 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -125.2 | 176.2 | 163.2 | -132.5 | 4.3 | 0 | 0 | 0 | 105.8 | ||||
| 1173 | P | 48.4 | Very low | 35.9 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -140.1 | 176 | 15.9 | 34.4 | -11.3 | 0 | 0 | 0 | 116.6 | ||||
| 1174 | L | 30.9 | Very low | 34.5 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | 168.3 | 140.2 | 114.8 | -88 | 168.1 | 0 | 0 | 0 | 113.7 | |||||
| 1175 | H | 32.1 | Very low | 33.6 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | trans | -91.1 | 177.3 | 168.1 | -91.6 | -100.1 | 0 | 0 | 0 | 110 | ||||
| 1176 | P | 47 | Very low | 33.3 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | cis | -132 | -165.4 | 15.2 | 46.3 | -28.3 | 0 | 0 | 0 | 113 | ||||
| 1177 | N | 28.5 | Very low | 33 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | cis | -152.9 | 151.5 | 5.9 | -146.1 | -1.8 | 0 | 0 | 0 | 113 | ||||
| 1178 | L | 29.9 | Very low | 32.1 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 30.8 | 146.6 | 160.2 | -71.7 | 163.4 | 0 | 0 | 0 | 123.7 | ||||
| 1179 | P | 34.5 | Very low | 32.3 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -92 | 162.6 | -177.3 | 38.7 | -36.5 | 0 | 0 | 0 | 114.8 | ||
| 1180 | A | 29.5 | Very low | 32.2 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 151.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1181 | T | 28.6 | Very low | 32.3 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 152.7 | -176.1 | 45.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1182 | T | 31.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -26.4 | 132.5 | 161.5 | -50.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1183 | T | 27.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -143.6 | 140.3 | 148.5 | 2.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1184 | M | 31 | Very low | 32.5 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | -82.5 | 175.4 | 170.4 | -74.2 | -77.4 | -84.9 | 0 | 0 | 108.6 | ||||
| 1185 | P | 43.4 | Very low | 32.3 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | -157.7 | -175.7 | 50.2 | 44.8 | -21.6 | 0 | 0 | 0 | 120.2 | |||||
| 1186 | S | 26.9 | Very low | 32.5 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 77.1 | 141.9 | 154.9 | -62.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1187 | S | 28 | Very low | 31.6 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | cis | -151.4 | 149.9 | -2 | 44.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1188 | L | 28.5 | Very low | 31.7 | Very low | 168 Ų | 168 | 114.1 Ų | 114.1 | 88% | 0.88 | 74% | 0.74 | S | S | * | * | trans | -140.6 | 134.2 | 164.4 | -91.4 | 174.3 | 0 | 0 | 0 | 108.8 | ||||
| 1189 | P | 35.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 110.4 Ų | 110.4 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -88.3 | 130.9 | 172.4 | 32.8 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 1190 | L | 27 | Very low | 31.5 | Very low | 179 Ų | 179 | 114.4 Ų | 114.4 | 94% | 0.937 | 74% | 0.739 | S | S | * | * | trans | -85 | 155.7 | 152 | -70.7 | 156.5 | 0 | 0 | 0 | 107.7 | ||||
| 1191 | G | 30.9 | Very low | 31.6 | Very low | 66 Ų | 66 | 114.8 Ų | 114.8 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | cis | -162.4 | -124.4 | 0 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1192 | P | 42.1 | Very low | 32 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | cis | -122.3 | -179.5 | -9.3 | 41.4 | -28 | 0 | 0 | 0 | 112.7 | ||||
| 1193 | G | 29.6 | Very low | 32 | Very low | 48 Ų | 48 | 113 Ų | 113 | 50% | 0.495 | 74% | 0.736 | S | S | . | * | trans | -134 | 149.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K735 | K735-G1193 PolarHBondContact NZ-O 3.33Š| ||
| 1194 | L | 38.7 | Very low | 31.9 | Very low | 177 Ų | 177 | 114.1 Ų | 114.1 | 93% | 0.927 | 74% | 0.735 | S | S | * | * | trans | 62.8 | 133.7 | 157.4 | -64.3 | 170.2 | 0 | 0 | 0 | 121.3 | ||||
| 1195 | G | 26.9 | Very low | 31.7 | Very low | 73 Ų | 73 | 112.7 Ų | 112.7 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -160.4 | 148.9 | 160 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1196 | S | 36.4 | Very low | 31.1 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -165.4 | 140.8 | -166.5 | 169.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1197 | A | 28 | Very low | 31.1 | Very low | 26 Ų | 26 | 110.8 Ų | 110.8 | 22% | 0.215 | 74% | 0.736 | C | S | . | * | trans | -149.9 | -162.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114 | E816 A817 K818 | E816-A1197 HydrophobicContact CB-CB 3.9Å; E816-A1197 HydrophobicContact CG-CB 3.79Å; E816-A1197 WeakPolarHBondContact OE2-CA 3.3Å; E816-A1197 WeakPolarHBondContact OE2-CB 3.5Å; A817-A1197 HydrophobicContact CB-CB 3.66Å; K818-A1197 HydrophobicContact CB-CB 4.23Å; K818-A1197 HydrophobicContact CD-CB 3.71Å; K818-A1197 HydrophobicContact CG-CB 3.77Å | ||
| 1198 | A | 30.2 | Very low | 31.2 | Very low | 61 Ų | 61 | 111.2 Ų | 111.2 | 50% | 0.504 | 73% | 0.733 | S | S | . | * | trans | -171 | 126.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | E816 K818 | E816-A1198 WeakPolarHBondContact OE1-CA 3.44Å; E816-A1198 PolarHBondContact OE1-N 2.98Å; E816-A1198 PolarHBondContact OE2-N 2.58Å; E816-A1198 VanDerWaalsContact OE2-N 3.15Å; K818-A1198 VanDerWaalsContact CE-O 3.25Å; K818-A1198 WeakPolarHBondContact CE-O 3.41Å | ||
| 1199 | A | 34.7 | Very low | 31.2 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 60% | 0.595 | 74% | 0.735 | S | S | * | * | 154.2 | 135 | 109.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E816 | E816-A1199 PolarHBondContact OE1-N 2.58Š| |||
| 1200 | Q | 26.5 | Very low | 30.9 | Very low | 197 Ų | 197 | 110.2 Ų | 110.2 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | -165.9 | 154.6 | 130.2 | -112.4 | 154.3 | 100.7 | 0 | 0 | 114.1 | ||||
| 1201 | S | 31.5 | Very low | 30.9 | Very low | 113 Ų | 113 | 109 Ų | 109 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | -127.6 | 148.4 | 165.9 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1202 | P | 36.8 | Very low | 30.8 | Very low | 132 Ų | 132 | 113.6 Ų | 113.6 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | -106.9 | 136.6 | 155.2 | 34.2 | -27 | 0 | 0 | 0 | 111.1 | ||||
| 1203 | A | 31.3 | Very low | 30.2 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | -147.1 | 116.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1204 | I | 25.8 | Very low | 31.1 | Very low | 165 Ų | 165 | 119.1 Ų | 119.1 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -144.5 | 110.7 | 171.7 | -61.8 | -176.7 | 0 | 0 | 0 | 104.5 | ||||
| 1205 | V | 27.8 | Very low | 30.5 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | 77.4 | 126.1 | 56 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1206 | A | 29.4 | Very low | 30.7 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | cis | -118.6 | -137.2 | -1.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1207 | A | 28.5 | Very low | 30.4 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | cis | -154.5 | 140.8 | -0 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1208 | V | 29.6 | Very low | 31.2 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 79.5 | 124.1 | 83.4 | 176.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1209 | Q | 28.4 | Very low | 31.3 | Very low | 197 Ų | 197 | 127.3 Ų | 127.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | 67.7 | 147.9 | 179.9 | -63.2 | 167.1 | 33.6 | 0 | 0 | 116 | ||||
| 1210 | G | 28.3 | Very low | 32.1 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | 173.3 | 154.6 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1211 | N | 28.1 | Very low | 32.3 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 52.1 | 127.4 | 163.8 | -76.5 | -1.6 | 0 | 0 | 0 | 123.2 | ||||
| 1212 | L | 28.7 | Very low | 33.3 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | 47.6 | 133.6 | 129.3 | -61.9 | 167.1 | 0 | 0 | 0 | 122.8 | |||||
| 1213 | L | 28.2 | Very low | 32.9 | Very low | 164 Ų | 164 | 125 Ų | 125 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -53.2 | 165.6 | 160.2 | -61.9 | 167.4 | 0 | 0 | 0 | 113 | ||||
| 1214 | P | 49 | Very low | 33.6 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | -150.5 | -177.1 | 25.3 | 43.8 | -23.2 | 0 | 0 | 0 | 119.3 | ||||
| 1215 | S | 27.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 93 | 136.6 | 135.1 | -158.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1216 | A | 30.2 | Very low | 35.3 | Very low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | 76.7 | 131 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1217 | S | 31.1 | Very low | 36.6 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -82 | 168.1 | 160.9 | -33.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1218 | P | 43.8 | Very low | 38 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | -147.5 | -179.4 | 82 | 39 | -20.1 | 0 | 0 | 0 | 117.2 | |||||
| 1219 | L | 31.7 | Very low | 38.3 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -74 | 177.6 | 173.2 | -72.4 | 158.8 | 0 | 0 | 0 | 113.3 | ||||
| 1220 | P | 52.4 | Low | 39.6 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | cis | -139.9 | -164 | -30.5 | 36.8 | -16.4 | 0 | 0 | 0 | 114.4 | ||||
| 1221 | D | 30.1 | Very low | 39.9 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | 87.9 | 151.2 | 149.2 | -83.8 | -3.5 | 0 | 0 | 0 | 123 | ||||
| 1222 | P | 52 | Low | 40.3 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -118.5 | 162.2 | -167.2 | 42 | -29.6 | 0 | 0 | 0 | 116 | ||||
| 1223 | G | 30 | Very low | 41.4 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 177.8 | 132.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1224 | T | 44.2 | Very low | 41.7 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | trans | -102.1 | 170.6 | 166.8 | 32.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1225 | P | 51.8 | Low | 41.8 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | cis | -138.7 | -166.7 | 18.3 | 41.8 | -20.5 | 0 | 0 | 0 | 117.4 | ||||
| 1226 | L | 37.7 | Very low | 42.1 | Very low | 165 Ų | 165 | 120.5 Ų | 120.5 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -64.6 | -178.3 | 176 | -63.2 | 162.1 | 0 | 0 | 0 | 115.8 | ||||
| 1227 | P | 58.1 | Low | 42.3 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | -128.9 | -147.3 | -16 | 43.2 | -24.9 | 0 | 0 | 0 | 111 | ||||
| 1228 | P | 56.6 | Low | 42.4 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -129.8 | -171 | -21.4 | 41.8 | -23.4 | 0 | 0 | 0 | 115.9 | ||||
| 1229 | D | 36.3 | Very low | 42.5 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -59.2 | 168 | 172.7 | -134 | -0.2 | 0 | 0 | 0 | 114.8 | ||||
| 1230 | P | 56.9 | Low | 43.5 | Very low | 98 Ų | 98 | 121 Ų | 121 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | -156.6 | -172.3 | 53.7 | 44.6 | -22.1 | 0 | 0 | 0 | 120.2 | |||||
| 1231 | T | 34.3 | Very low | 42.8 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | 93.8 | 144 | 153.2 | 52.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1232 | A | 35.5 | Very low | 44.5 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -118.1 | -172.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1233 | P | 51.5 | Low | 45 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | cis | -147.4 | -161.9 | 35.2 | 44.1 | -20.8 | 0 | 0 | 0 | 117.6 | ||||
| 1234 | S | 35.7 | Very low | 46.5 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -66.2 | -168.8 | 179.7 | -27.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1235 | P | 51 | Low | 46.6 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | cis | -145 | -168.8 | 11.5 | 45.1 | -24.4 | 0 | 0 | 0 | 118.1 | ||||
| 1236 | G | 32.6 | Very low | 46.3 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | 98.6 | 117.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1237 | T | 34.8 | Very low | 46.8 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | cis | 89.6 | 141.9 | 27.4 | -43.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1238 | V | 34 | Very low | 46.1 | Very low | 129 Ų | 129 | 126 Ų | 126 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | 96.1 | 100.8 | 173.3 | -170.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1239 | T | 44.4 | Very low | 45.5 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -87 | 154.7 | 144.9 | 42.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1240 | P | 53.2 | Low | 46.1 | Very low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | -159.2 | 148.9 | 91.7 | 40.2 | -19.6 | 0 | 0 | 0 | 119.3 | |||||
| 1241 | V | 39 | Very low | 45.4 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | 74.1 | 150.2 | 132.2 | 171.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1242 | P | 64.3 | Low | 46.2 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -117.2 | -144 | -168 | 45.1 | -27.7 | 0 | 0 | 0 | 110.9 | ||||
| 1243 | P | 62.4 | Low | 47 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -129 | -132.8 | -19.4 | 39.2 | -17.2 | 0 | 0 | 0 | 110.4 | ||||
| 1244 | P | 63.3 | Low | 46.6 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | -117.8 | 160.2 | -58.7 | 33.3 | -18.5 | 0 | 0 | 0 | 113.9 | |||||
| 1245 | Q | 44.8 | Very low | 47.6 | Very low | 270 Ų | 270 | 130.8 Ų | 130.8 | 100% | 1.262 | 81% | 0.808 | S | S | * | * | -166.5 | 0 | 120.6 | -110.1 | -176.4 | 4.8 | 0 | 0 | 110.8 |
Retrieved 1,245 of 1,245 residues in 344.5 ms
(Link to these results)