| 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 | 41.9 | Very low | 81.9 | Confident | 239 Ų | 239 | 86.1 Ų | 86.1 | 100% | 1.177 | 42% | 0.423 | S | S | * | . | 0 | 112.9 | 0 | -79.1 | -178.1 | -89.3 | 0 | 0 | 107.8 | |||||
| 2 | E | 52.8 | Low | 83.2 | Confident | 192 Ų | 192 | 81.8 Ų | 81.8 | 90% | 0.897 | 40% | 0.401 | S | S | * | . | trans | -68.7 | 141.6 | 162.7 | -63.3 | -176 | 128.5 | 0 | 0 | 108.2 | ||||
| 3 | Q | 63.1 | Low | 84.2 | Confident | 150 Ų | 150 | 79.6 Ų | 79.6 | 70% | 0.701 | 39% | 0.391 | S | S | * | . | trans | -89.2 | 114.7 | 178 | -63.6 | -172 | 62.9 | 0 | 0 | 107.8 | V5 | Q3-V5 PolarHBondContact O-N 3.34Š| ||
| 4 | S | 83.9 | Confident | 85.1 | Confident | 21 Ų | 21 | 76.1 Ų | 76.1 | 15% | 0.147 | 38% | 0.375 | C | S | . | . | trans | -59.3 | 139.6 | 175.7 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | F6 K7 | S4-F6 PolarHBondContact O-N 3.26Å; S4-K7 VanDerWaalsContact O-CB 3.22Å; S4-K7 WeakPolarHBondContact O-CB 3.41Å; S4-K7 PolarHBondContact O-N 3.14Å | ||
| 5 | V | 89.1 | Confident | 85.8 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.2 | 176.3 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | Q3 Q77 F79 | Q3-V5 PolarHBondContact O-N 3.34Å; V5-Q77 WeakPolarHBondContact CG1-O 3.43Å; V5-F79 HydrophobicContact CB-CD2 4.48Å; V5-F79 HydrophobicContact CB-CE2 4.29Å; V5-F79 WeakPolarHBondContact O-CE2 3.31Å; V5-F79 WeakPolarHBondContact O-CZ 3.5Å |
| 6 | F | 93.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.2 | 176.9 | -72.3 | -76.7 | 0 | 0 | 0 | 114.5 | S4 D8 A9 L25 L28 A30 F42 W69 V74 F79 | S4-F6 PolarHBondContact O-N 3.26Å; F6-D8 PolarHBondContact O-N 3.47Å; F6-A9 WeakPolarHBondContact O-CB 3.16Å; F6-A9 PolarHBondContact O-N 3.42Å; F6-A9 VanDerWaalsContact O-N 3.08Å; F6-L25 HydrophobicContact CB-CD2 4.48Å; F6-L25 HydrophobicContact CD1-CD2 3.38Å; F6-L25 HydrophobicContact CE1-CD2 3.66Å; F6-L25 HydrophobicContact CG-CD2 3.95Å; F6-L25 HydrophobicContact CZ-CD2 4.43Å; F6-L28 HydrophobicContact CB-CB 4.06Å; F6-L28 HydrophobicContact CD2-CD1 4.1Å; F6-A30 HydrophobicContact CB-CB 4.28Å; F6-A30 VanDerWaalsContact O-CA 3.3Å; F6-A30 WeakPolarHBondContact O-CA 3.34Å; F6-A30 WeakPolarHBondContact O-CB 3.42Å; F6-A30 PolarHBondContact O-N 2.64Å; F6-F42 HydrophobicContact CD1-CE1 4.27Å; F6-F42 HydrophobicContact CD1-CZ 4.03Å; F6-F42 HydrophobicContact CE1-CE1 4.16Å; F6-F42 AromaticContact CE1-CZ 3.86Å; F6-F42 HydrophobicContact CE1-CZ 3.86Å; F6-W69 AromaticContact CE1-CH2 3.94Å; F6-W69 HydrophobicContact CE1-CH2 3.94Å; F6-W69 AromaticContact CE1-CZ3 3.84Å; F6-W69 HydrophobicContact CE1-CZ3 3.84Å; F6-W69 HydrophobicContact CZ-CH2 4.3Å; F6-W69 HydrophobicContact CZ-CZ3 4.19Å; F6-V74 HydrophobicContact CD2-CG2 3.93Å; F6-V74 HydrophobicContact CE2-CB 4.44Å; F6-V74 HydrophobicContact CE2-CG2 3.47Å; F6-V74 VanDerWaalsContact CE2-CG2 3.47Å; F6-V74 HydrophobicContact CZ-CG2 4.14Å; F6-F79 AromaticContact CD1-CE1 3.86Å; F6-F79 HydrophobicContact CD1-CE1 3.86Å; F6-F79 HydrophobicContact CD1-CZ 4.45Å; F6-F79 HydrophobicContact CE1-CD1 4.16Å; F6-F79 AromaticContact CE1-CE1 3.69Å; F6-F79 HydrophobicContact CE1-CE1 3.69Å; F6-F79 HydrophobicContact CZ-CD1 4.41Å; F6-F79 HydrophobicContact CZ-CE1 4.31Å |
| 7 | K | 93.5 | Very high | 86.6 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 132.3 | -179.2 | -172.1 | -161.1 | 168.1 | -153.7 | 0 | 111 | S4 A9 | S4-K7 VanDerWaalsContact O-CB 3.22Å; S4-K7 WeakPolarHBondContact O-CB 3.41Å; S4-K7 PolarHBondContact O-N 3.14Å; K7-A9 PolarHBondContact O-N 3.21Å |
| 8 | D | 93.8 | Very high | 86.8 | Confident | 114 Ų | 114 | 73.3 Ų | 73.3 | 61% | 0.61 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 6.2 | -178.2 | -52.7 | -52.1 | 0 | 0 | 0 | 114.1 | F6 K10 G29 | F6-D8 PolarHBondContact O-N 3.47Å; D8-K10 PolarHBondContact O-N 2.79Å; D8-G29 PolarHBondContact N-O 2.9Å |
| 9 | A | 95.3 | Very high | 86.8 | Confident | 8 Ų | 8 | 78.7 Ų | 78.7 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | trans | -76.2 | 118.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F6 K7 A30 V31 F42 F79 | F6-A9 WeakPolarHBondContact O-CB 3.16Å; F6-A9 PolarHBondContact O-N 3.42Å; F6-A9 VanDerWaalsContact O-N 3.08Å; K7-A9 PolarHBondContact O-N 3.21Å; A9-A30 CarbonylContact O-C 3.56Å; A9-A30 WeakPolarHBondContact O-CA 3.24Å; A9-A30 WeakPolarHBondContact O-CB 3.37Å; A9-V31 PolarHBondContact O-N 3.06Å; A9-F42 HydrophobicContact CB-CE1 4.45Å; A9-F79 HydrophobicContact CB-CZ 4.35Å | ||
| 10 | K | 97 | Very high | 87.1 | Confident | 71 Ų | 71 | 79.6 Ų | 79.6 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130.3 | 172.2 | -73.7 | 177.3 | 165.6 | -154.1 | 0 | 110.9 | D8 V31 H33 S39 R41 | D8-K10 PolarHBondContact O-N 2.79Å; K10-V31 CarbonylContact C-O 3.6Å; K10-V31 VanDerWaalsContact CA-O 3.28Å; K10-V31 WeakPolarHBondContact CA-O 3.26Å; K10-V31 HydrophobicContact CG-CB 4.37Å; K10-H33 PolarHBondContact NZ-CD2 3.05Å; K10-H33 PolarHBondContact NZ-NE2 2.83Å; K10-S39 WeakPolarHBondContact CB-O 3.43Å; K10-S39 WeakPolarHBondContact CD-O 3.38Å; K10-S39 PolarHBondContact NZ-OG 3.48Å; K10-R41 VanDerWaalsContact O-CB 3.31Å; K10-R41 WeakPolarHBondContact O-CB 3.33Å; K10-R41 PolarHBondContact O-N 2.86Å |
| 11 | F | 97.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.7 | 173.9 | 70.2 | -84.3 | 0 | 0 | 0 | 111.4 | I13 V22 L25 A30 V31 H33 F42 I44 | F11-I13 HydrophobicContact CD2-CG1 4.22Å; F11-I13 HydrophobicContact CE2-CD1 4.14Å; F11-I13 HydrophobicContact CE2-CG1 4.08Å; F11-V22 HydrophobicContact CE2-CG1 4.4Å; F11-V22 HydrophobicContact CZ-CG1 4.41Å; F11-L25 HydrophobicContact CD1-CB 4.36Å; F11-L25 HydrophobicContact CD1-CD1 4.26Å; F11-L25 HydrophobicContact CD2-CD1 3.88Å; F11-L25 HydrophobicContact CE1-CB 3.76Å; F11-L25 HydrophobicContact CE1-CD1 4.26Å; F11-L25 HydrophobicContact CE2-CB 4.45Å; F11-L25 HydrophobicContact CE2-CD1 3.87Å; F11-L25 HydrophobicContact CG-CD1 4.07Å; F11-L25 HydrophobicContact CZ-CB 3.81Å; F11-L25 HydrophobicContact CZ-CD1 4.06Å; F11-A30 HydrophobicContact CD1-CB 3.74Å; F11-A30 HydrophobicContact CE1-CB 3.77Å; F11-V31 WeakPolarHBondContact CD1-O 3.38Å; F11-V31 PolarHBondContact N-O 3.07Å; F11-H33 WeakPolarHBondContact O-CB 3.34Å; F11-H33 PolarHBondContact O-N 3.25Å; F11-F42 WeakPolarHBondContact CA-O 3.34Å; F11-F42 HydrophobicContact CB-CD2 4.03Å; F11-F42 HydrophobicContact CB-CE1 4.3Å; F11-F42 HydrophobicContact CB-CE2 3.48Å; F11-F42 VanDerWaalsContact CB-CE2 3.48Å; F11-F42 HydrophobicContact CB-CZ 3.64Å; F11-F42 HydrophobicContact CG-CE2 4.35Å; F11-F42 HydrophobicContact CG-CZ 4.46Å; F11-I44 HydrophobicContact CD2-CD1 3.89Å; F11-I44 HydrophobicContact CE2-CD1 4.4Å |
| 12 | F | 97.1 | Very high | 89.9 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 156.6 | 173.1 | -175 | -112.8 | 0 | 0 | 0 | 110 | I14 L36 V40 F42 A43 I44 | F12-I14 HydrophobicContact CD1-CG1 3.89Å; F12-I14 HydrophobicContact CE1-CG1 3.85Å; F12-L36 HydrophobicContact CD1-CB 4.06Å; F12-L36 HydrophobicContact CD1-CD1 3.93Å; F12-L36 HydrophobicContact CE1-CB 3.98Å; F12-L36 HydrophobicContact CG-CB 4.47Å; F12-L36 HydrophobicContact CG-CD1 4.42Å; F12-L36 HydrophobicContact CZ-CB 4.32Å; F12-V40 HydrophobicContact CB-CG1 3.77Å; F12-V40 HydrophobicContact CB-CG2 4.14Å; F12-F42 PolarHBondContact N-O 3.07Å; F12-A43 HydrophobicContact CB-CB 4.37Å; F12-A43 CarbonylContact O-C 3.57Å; F12-A43 WeakPolarHBondContact O-CA 3.49Å; F12-I44 PolarHBondContact O-N 2.77Å |
| 13 | I | 96.7 | Very high | 91.9 | Very high | 54 Ų | 54 | 60.7 Ų | 60.7 | 28% | 0.277 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.9 | 177.1 | -54.6 | 165.8 | 0 | 0 | 0 | 107.8 | F11 C16 V22 | F11-I13 HydrophobicContact CD2-CG1 4.22Å; F11-I13 HydrophobicContact CE2-CD1 4.14Å; F11-I13 HydrophobicContact CE2-CG1 4.08Å; I13-C16 HydrophobicContact CG2-CB 3.88Å; I13-V22 HydrophobicContact CD1-CB 4.36Å; I13-V22 HydrophobicContact CD1-CG1 3.85Å; I13-V22 HydrophobicContact CD1-CG2 3.55Å |
| 14 | I | 96.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -56.5 | 171.1 | -63.6 | 160.4 | 0 | 0 | 0 | 108.2 | F12 A43 I44 L50 E52 V53 A56 V64 | F12-I14 HydrophobicContact CD1-CG1 3.89Å; F12-I14 HydrophobicContact CE1-CG1 3.85Å; I14-A43 HydrophobicContact CD1-CB 3.83Å; I14-A43 HydrophobicContact CG1-CB 4.46Å; I14-I44 PolarHBondContact N-O 2.99Å; I14-L50 HydrophobicContact CG2-CB 4.02Å; I14-L50 HydrophobicContact CG2-CD1 3.77Å; I14-E52 HydrophobicContact CD1-CB 4.47Å; I14-E52 WeakPolarHBondContact CD1-O 3.42Å; I14-E52 HydrophobicContact CG1-CB 4.08Å; I14-E52 HydrophobicContact CG2-CB 3.83Å; I14-V53 HydrophobicContact CD1-CG2 4.17Å; I14-V53 HydrophobicContact CG2-CG2 4.11Å; I14-A56 HydrophobicContact CD1-CB 4.31Å; I14-V64 HydrophobicContact CD1-CG1 4.38Å; I14-V64 HydrophobicContact CD1-CG2 4.18Å |
| 15 | S | 95.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 130.3 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 110 | I44 S45 D46 | S15-I44 PolarHBondContact N-O 2.92Å; S15-S45 CarbonylContact O-C 3.46Å; S15-S45 WeakPolarHBondContact O-CA 3.48Å; S15-D46 PolarHBondContact O-N 2.73Å |
| 16 | C | 93.4 | Very high | 94.2 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | trans | -142.6 | 116.3 | 174.9 | -169 | 0 | 0 | 0 | 0 | 110.8 | I13 H18 I44 D46 | I13-C16 HydrophobicContact CG2-CB 3.88Å; C16-H18 PolarHBondContact O-N 3.27Å; C16-H18 PolarHBondContact SG-O 3.1Å; C16-H18 VanDerWaalsContact SG-O 3.41Å; C16-I44 HydrophobicContact CB-CG2 4.18Å; C16-D46 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 17 | N | 91.3 | Very high | 94.2 | Very high | 123 Ų | 123 | 62.1 Ų | 62.1 | 66% | 0.658 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -74.3 | -21.3 | 178 | -66 | -40.6 | 0 | 0 | 0 | 111.6 | D46 | N17-D46 PolarHBondContact N-OD2 3.06Å; N17-D46 WeakPolarHBondContact ND2-CB 3.22Å |
| 18 | H | 90.5 | Very high | 94.2 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | trans | -106.3 | 85.5 | -173.9 | -75.7 | -70.4 | 0 | 0 | 0 | 112.3 | C16 E20 V21 S67 K71 | C16-H18 PolarHBondContact O-N 3.27Å; C16-H18 PolarHBondContact SG-O 3.1Å; C16-H18 VanDerWaalsContact SG-O 3.41Å; H18-E20 VanDerWaalsContact CA-OE2 3.25Å; H18-E20 WeakPolarHBondContact CA-OE2 3.44Å; H18-E20 WeakPolarHBondContact CB-OE1 3.47Å; H18-E20 WeakPolarHBondContact CB-OE2 3.42Å; H18-E20 IonicContact CE1-OE1 3.86Å; H18-E20 IonicContact CG-OE1 3.68Å; H18-E20 IonicContact ND1-OE1 3.45Å; H18-E20 PolarHBondContact ND1-OE1 3.4Å; H18-E20 IonicContact ND1-OE2 3.57Å; H18-E20 PolarHBondContact O-N 3.1Å; H18-E20 VanDerWaalsContact O-N 3.11Å; H18-V21 HydrophobicContact CB-CB 4.48Å; H18-V21 HydrophobicContact CB-CG2 3.8Å; H18-V21 VanDerWaalsContact O-CB 3.32Å; H18-V21 WeakPolarHBondContact O-CB 3.37Å; H18-V21 PolarHBondContact O-N 2.88Å; H18-S67 PolarHBondContact CD2-OG 3.01Å; H18-K71 PolarHBondContact CE1-NZ 3.14Å; H18-K71 PolarHBondContact ND1-NZ 2.78Å | ||
| 19 | K | 86.5 | Confident | 94.2 | Very high | 175 Ų | 175 | 55.4 Ų | 55.4 | 76% | 0.761 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -53.9 | -33.8 | -179 | -64.8 | -178.2 | -178.7 | 178 | 0 | 113 | V21 V22 | K19-V21 PolarHBondContact O-N 2.84Å; K19-V22 PolarHBondContact O-N 3.33Å |
| 20 | E | 94.2 | Very high | 94.3 | Very high | 97 Ų | 97 | 55.3 Ų | 55.3 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -25.8 | 178.7 | 73.1 | -79.7 | -169.7 | 0 | 0 | 113.5 | H18 V22 D23 L24 K71 | H18-E20 VanDerWaalsContact CA-OE2 3.25Å; H18-E20 WeakPolarHBondContact CA-OE2 3.44Å; H18-E20 WeakPolarHBondContact CB-OE1 3.47Å; H18-E20 WeakPolarHBondContact CB-OE2 3.42Å; H18-E20 IonicContact CE1-OE1 3.86Å; H18-E20 IonicContact CG-OE1 3.68Å; H18-E20 IonicContact ND1-OE1 3.45Å; H18-E20 PolarHBondContact ND1-OE1 3.4Å; H18-E20 IonicContact ND1-OE2 3.57Å; H18-E20 PolarHBondContact O-N 3.1Å; H18-E20 VanDerWaalsContact O-N 3.11Å; E20-V22 VanDerWaalsContact C-N 3.32Å; E20-V22 PolarHBondContact O-N 3.25Å; E20-D23 PolarHBondContact O-N 3.47Å; E20-L24 VanDerWaalsContact O-CB 3.25Å; E20-L24 WeakPolarHBondContact O-CB 3.45Å; E20-L24 PolarHBondContact O-N 3.47Å; E20-K71 WeakPolarHBondContact OE1-CE 3.23Å; E20-K71 IonicContact OE1-NZ 2.69Å; E20-K71 PolarHBondContact OE1-NZ 2.86Å |
| 21 | V | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -33.3 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | H18 K19 L25 I44 V70 K71 | H18-V21 HydrophobicContact CB-CB 4.48Å; H18-V21 HydrophobicContact CB-CG2 3.8Å; H18-V21 VanDerWaalsContact O-CB 3.32Å; H18-V21 WeakPolarHBondContact O-CB 3.37Å; H18-V21 PolarHBondContact O-N 2.88Å; K19-V21 PolarHBondContact O-N 2.84Å; V21-L25 HydrophobicContact CG1-CD1 4.25Å; V21-L25 WeakPolarHBondContact O-CB 3.44Å; V21-L25 WeakPolarHBondContact O-CG 3.46Å; V21-L25 PolarHBondContact O-N 3.22Å; V21-I44 HydrophobicContact CG1-CD1 4.44Å; V21-V70 HydrophobicContact CG1-CB 3.63Å; V21-V70 HydrophobicContact CG1-CG1 3.73Å; V21-V70 HydrophobicContact CG1-CG2 3.69Å; V21-K71 HydrophobicContact CG2-CD 4.29Å; V21-K71 HydrophobicContact CG2-CG 4Å |
| 22 | V | 93.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.8 | -41.3 | -179.5 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | F11 I13 K19 E20 K26 | F11-V22 HydrophobicContact CE2-CG1 4.4Å; F11-V22 HydrophobicContact CZ-CG1 4.41Å; I13-V22 HydrophobicContact CD1-CB 4.36Å; I13-V22 HydrophobicContact CD1-CG1 3.85Å; I13-V22 HydrophobicContact CD1-CG2 3.55Å; K19-V22 PolarHBondContact O-N 3.33Å; E20-V22 VanDerWaalsContact C-N 3.32Å; E20-V22 PolarHBondContact O-N 3.25Å; V22-K26 WeakPolarHBondContact O-CG 3.37Å; V22-K26 PolarHBondContact O-N 3.31Å; V22-K26 VanDerWaalsContact O-N 3.16Å |
| 23 | D | 93.9 | Very high | 94.1 | Very high | 91 Ų | 91 | 57.3 Ų | 57.3 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -82.2 | -30 | -179.3 | -61.7 | -33.9 | 0 | 0 | 0 | 112 | E20 K26 S27 | E20-D23 PolarHBondContact O-N 3.47Å; D23-K26 PolarHBondContact O-N 3.47Å; D23-K26 IonicContact OD1-NZ 3.27Å; D23-K26 PolarHBondContact OD1-NZ 2.93Å; D23-S27 WeakPolarHBondContact O-CB 3.36Å; D23-S27 PolarHBondContact O-N 2.89Å; D23-S27 PolarHBondContact O-OG 3.14Å |
| 24 | L | 94.5 | Very high | 94 | Very high | 58 Ų | 58 | 60 Ų | 60 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 165.5 | -176.8 | 61.2 | 0 | 0 | 0 | 111.1 | E20 K26 S27 L28 V74 | E20-L24 VanDerWaalsContact O-CB 3.25Å; E20-L24 WeakPolarHBondContact O-CB 3.45Å; E20-L24 PolarHBondContact O-N 3.47Å; L24-K26 PolarHBondContact O-N 3.04Å; L24-S27 PolarHBondContact O-N 3.18Å; L24-S27 PolarHBondContact O-OG 3.21Å; L24-L28 HydrophobicContact CD1-CD1 4.31Å; L24-L28 HydrophobicContact CG-CD1 4.32Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.35Å; L24-V74 HydrophobicContact CD1-CG1 4.24Å; L24-V74 HydrophobicContact CD2-CB 4.31Å; L24-V74 HydrophobicContact CD2-CG1 4.19Å; L24-V74 HydrophobicContact CD2-CG2 4.11Å; L24-V74 HydrophobicContact CG-CG1 4.41Å; L24-V74 HydrophobicContact CG-CG2 4.32Å |
| 25 | L | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.8 | -80.5 | 169 | 0 | 0 | 0 | 112.7 | F6 F11 V21 S27 L28 G29 A30 F42 I44 V70 | F6-L25 HydrophobicContact CB-CD2 4.48Å; F6-L25 HydrophobicContact CD1-CD2 3.38Å; F6-L25 HydrophobicContact CE1-CD2 3.66Å; F6-L25 HydrophobicContact CG-CD2 3.95Å; F6-L25 HydrophobicContact CZ-CD2 4.43Å; F11-L25 HydrophobicContact CD1-CB 4.36Å; F11-L25 HydrophobicContact CD1-CD1 4.26Å; F11-L25 HydrophobicContact CD2-CD1 3.88Å; F11-L25 HydrophobicContact CE1-CB 3.76Å; F11-L25 HydrophobicContact CE1-CD1 4.26Å; F11-L25 HydrophobicContact CE2-CB 4.45Å; F11-L25 HydrophobicContact CE2-CD1 3.87Å; F11-L25 HydrophobicContact CG-CD1 4.07Å; F11-L25 HydrophobicContact CZ-CB 3.81Å; F11-L25 HydrophobicContact CZ-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CD1 4.25Å; V21-L25 WeakPolarHBondContact O-CB 3.44Å; V21-L25 WeakPolarHBondContact O-CG 3.46Å; V21-L25 PolarHBondContact O-N 3.22Å; L25-S27 PolarHBondContact O-N 2.97Å; L25-L28 PolarHBondContact O-N 3.15Å; L25-G29 PolarHBondContact O-N 2.91Å; L25-A30 HydrophobicContact CB-CB 4Å; L25-A30 HydrophobicContact CD2-CB 4.08Å; L25-A30 WeakPolarHBondContact O-CB 3.2Å; L25-A30 PolarHBondContact O-N 3.01Å; L25-F42 HydrophobicContact CD1-CE2 4.31Å; L25-F42 HydrophobicContact CD2-CZ 4.1Å; L25-I44 HydrophobicContact CD1-CD1 3.56Å; L25-V70 HydrophobicContact CD1-CG1 3.98Å; L25-V70 HydrophobicContact CD1-CG2 4.2Å; L25-V70 HydrophobicContact CD2-CG1 3.76Å; L25-V70 HydrophobicContact CG-CG1 3.72Å |
| 26 | K | 94.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 64 Ų | 64 | 45% | 0.452 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.6 | -69.1 | 167.6 | -165.9 | 156.3 | 0 | 112.3 | V22 D23 L24 L28 G29 | V22-K26 WeakPolarHBondContact O-CG 3.37Å; V22-K26 PolarHBondContact O-N 3.31Å; V22-K26 VanDerWaalsContact O-N 3.16Å; D23-K26 PolarHBondContact O-N 3.47Å; D23-K26 IonicContact OD1-NZ 3.27Å; D23-K26 PolarHBondContact OD1-NZ 2.93Å; L24-K26 PolarHBondContact O-N 3.04Å; K26-L28 PolarHBondContact O-N 2.98Å; K26-G29 PolarHBondContact O-N 3.48Å |
| 27 | S | 93.7 | Very high | 93.9 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.6 | -23.9 | 179.9 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | D23 L24 L25 G29 | D23-S27 WeakPolarHBondContact O-CB 3.36Å; D23-S27 PolarHBondContact O-N 2.89Å; D23-S27 PolarHBondContact O-OG 3.14Å; L24-S27 PolarHBondContact O-N 3.18Å; L24-S27 PolarHBondContact O-OG 3.21Å; L25-S27 PolarHBondContact O-N 2.97Å; S27-G29 VanDerWaalsContact C-N 3.3Å |
| 28 | L | 94.1 | Very high | 94.1 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.4 | 172.1 | -63 | 172 | 0 | 0 | 0 | 113.7 | F6 L24 L25 K26 V74 | F6-L28 HydrophobicContact CB-CB 4.06Å; F6-L28 HydrophobicContact CD2-CD1 4.1Å; L24-L28 HydrophobicContact CD1-CD1 4.31Å; L24-L28 HydrophobicContact CG-CD1 4.32Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.35Å; L25-L28 PolarHBondContact O-N 3.15Å; K26-L28 PolarHBondContact O-N 2.98Å; L28-V74 HydrophobicContact CD1-CB 4.23Å; L28-V74 HydrophobicContact CD1-CG1 3.74Å; L28-V74 HydrophobicContact CD1-CG2 3.42Å; L28-V74 VanDerWaalsContact CD1-CG2 3.42Å |
| 29 | G | 94.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 64.9 Ų | 64.9 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 15.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | D8 L25 K26 S27 | D8-G29 PolarHBondContact N-O 2.9Å; L25-G29 PolarHBondContact O-N 2.91Å; K26-G29 PolarHBondContact O-N 3.48Å; S27-G29 VanDerWaalsContact C-N 3.3Å |
| 30 | A | 95.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | trans | -76.9 | 148.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F6 A9 F11 L25 | F6-A30 HydrophobicContact CB-CB 4.28Å; F6-A30 VanDerWaalsContact O-CA 3.3Å; F6-A30 WeakPolarHBondContact O-CA 3.34Å; F6-A30 WeakPolarHBondContact O-CB 3.42Å; F6-A30 PolarHBondContact O-N 2.64Å; A9-A30 CarbonylContact O-C 3.56Å; A9-A30 WeakPolarHBondContact O-CA 3.24Å; A9-A30 WeakPolarHBondContact O-CB 3.37Å; F11-A30 HydrophobicContact CD1-CB 3.74Å; F11-A30 HydrophobicContact CE1-CB 3.77Å; L25-A30 HydrophobicContact CB-CB 4Å; L25-A30 HydrophobicContact CD2-CB 4.08Å; L25-A30 WeakPolarHBondContact O-CB 3.2Å; L25-A30 PolarHBondContact O-N 3.01Å | ||
| 31 | V | 96.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 42% | 0.418 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.6 | -174.6 | -178 | 0 | 0 | 0 | 0 | 110.2 | A9 K10 F11 H33 | A9-V31 PolarHBondContact O-N 3.06Å; K10-V31 CarbonylContact C-O 3.6Å; K10-V31 VanDerWaalsContact CA-O 3.28Å; K10-V31 WeakPolarHBondContact CA-O 3.26Å; K10-V31 HydrophobicContact CG-CB 4.37Å; F11-V31 WeakPolarHBondContact CD1-O 3.38Å; F11-V31 PolarHBondContact N-O 3.07Å; V31-H33 PolarHBondContact O-N 3.07Å |
| 32 | S | 96.1 | Very high | 95.1 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 118.4 | 171.7 | -166.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 33 | H | 95.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | trans | -86 | 138.1 | 177.4 | -146.6 | -107.2 | 0 | 0 | 0 | 110.1 | K10 F11 V31 F35 S37 S39 V40 | K10-H33 PolarHBondContact NZ-CD2 3.05Å; K10-H33 PolarHBondContact NZ-NE2 2.83Å; F11-H33 WeakPolarHBondContact O-CB 3.34Å; F11-H33 PolarHBondContact O-N 3.25Å; V31-H33 PolarHBondContact O-N 3.07Å; H33-F35 AromaticContact CE1-CE2 3.83Å; H33-F35 AromaticContact CE1-CZ 3.95Å; H33-F35 PolarHBondContact ND1-O 3.23Å; H33-S37 PolarHBondContact CE1-OG 3.37Å; H33-S37 VanDerWaalsContact CE1-OG 3.29Å; H33-S39 PolarHBondContact NE2-OG 3.43Å; H33-V40 HydrophobicContact CB-CG2 3.88Å | ||
| 34 | P | 94.3 | Very high | 95.4 | Very high | 110 Ų | 110 | 53 Ų | 53 | 71% | 0.714 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -80.4 | -13.8 | -174.4 | 29 | -33.3 | 0 | 0 | 0 | 114.5 | ||
| 35 | F | 94.1 | Very high | 95.6 | Very high | 127 Ų | 127 | 50.3 Ų | 50.3 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -148.4 | 157.1 | 176.7 | 53.8 | -94.4 | 0 | 0 | 0 | 110.2 | H33 | H33-F35 AromaticContact CE1-CE2 3.83Å; H33-F35 AromaticContact CE1-CZ 3.95Å; H33-F35 PolarHBondContact ND1-O 3.23Å |
| 36 | L | 95.1 | Very high | 95.6 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | trans | -67.8 | 135.2 | 175.4 | -174.7 | 61.5 | 0 | 0 | 0 | 110.6 | F12 E55 A56 Y60 | F12-L36 HydrophobicContact CD1-CB 4.06Å; F12-L36 HydrophobicContact CD1-CD1 3.93Å; F12-L36 HydrophobicContact CE1-CB 3.98Å; F12-L36 HydrophobicContact CG-CB 4.47Å; F12-L36 HydrophobicContact CG-CD1 4.42Å; F12-L36 HydrophobicContact CZ-CB 4.32Å; L36-E55 HydrophobicContact CD2-CB 4.02Å; L36-E55 HydrophobicContact CD2-CG 4.06Å; L36-A56 HydrophobicContact CD1-CB 3.79Å; L36-A56 HydrophobicContact CD2-CB 3.96Å; L36-A56 HydrophobicContact CG-CB 4.48Å; L36-Y60 HydrophobicContact CB-CE2 4.3Å; L36-Y60 HydrophobicContact CD1-CD2 4.4Å; L36-Y60 HydrophobicContact CD2-CD2 3.62Å; L36-Y60 HydrophobicContact CD2-CE2 3.74Å; L36-Y60 HydrophobicContact CG-CD2 3.5Å; L36-Y60 HydrophobicContact CG-CE2 3.71Å; L36-Y60 HydrophobicContact CG-CG 4.3Å | ||
| 37 | S | 95 | Very high | 95.6 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 12% | 0.119 | 28% | 0.278 | C | S | . | . | trans | -165.5 | 161.6 | 180 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | H33 S39 V40 | H33-S37 PolarHBondContact CE1-OG 3.37Å; H33-S37 VanDerWaalsContact CE1-OG 3.29Å; S37-S39 PolarHBondContact O-N 3.41Å; S37-S39 PolarHBondContact OG-N 3.01Å; S37-S39 PolarHBondContact OG-OG 3.26Å; S37-V40 VanDerWaalsContact O-CB 3.3Å; S37-V40 WeakPolarHBondContact O-CB 3.43Å; S37-V40 WeakPolarHBondContact O-CG2 3.49Å; S37-V40 PolarHBondContact O-N 3.43Å | ||
| 38 | E | 94.6 | Very high | 95.6 | Very high | 169 Ų | 169 | 47.9 Ų | 47.9 | 79% | 0.79 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -22.4 | 171.6 | -58.8 | 173.6 | -167.7 | 0 | 0 | 114.4 | V40 Y60 | E38-V40 VanDerWaalsContact C-N 3.32Å; E38-Y60 HydrophobicContact CG-CD1 4.21Å |
| 39 | S | 95.3 | Very high | 95.6 | Very high | 59 Ų | 59 | 50.6 Ų | 50.6 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.2 | 179.3 | 77.5 | 0 | 0 | 0 | 0 | 114 | K10 H33 S37 | K10-S39 WeakPolarHBondContact CB-O 3.43Å; K10-S39 WeakPolarHBondContact CD-O 3.38Å; K10-S39 PolarHBondContact NZ-OG 3.48Å; H33-S39 PolarHBondContact NE2-OG 3.43Å; S37-S39 PolarHBondContact O-N 3.41Å; S37-S39 PolarHBondContact OG-N 3.01Å; S37-S39 PolarHBondContact OG-OG 3.26Å |
| 40 | V | 97.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | trans | -77.4 | 133.4 | 173.6 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | F12 H33 S37 E38 F42 V62 | F12-V40 HydrophobicContact CB-CG1 3.77Å; F12-V40 HydrophobicContact CB-CG2 4.14Å; H33-V40 HydrophobicContact CB-CG2 3.88Å; S37-V40 VanDerWaalsContact O-CB 3.3Å; S37-V40 WeakPolarHBondContact O-CB 3.43Å; S37-V40 WeakPolarHBondContact O-CG2 3.49Å; S37-V40 PolarHBondContact O-N 3.43Å; E38-V40 VanDerWaalsContact C-N 3.32Å; V40-F42 WeakPolarHBondContact CG1-O 3.31Å; V40-V62 HydrophobicContact CB-CG1 4.11Å; V40-V62 HydrophobicContact CB-CG2 4.14Å; V40-V62 HydrophobicContact CG1-CG1 3.73Å | ||
| 41 | R | 96 | Very high | 95.6 | Very high | 129 Ų | 129 | 55.3 Ų | 55.3 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -84.1 | -30.8 | -177.9 | -171.4 | 175.4 | 179.8 | 71.8 | 1.2 | 113.2 | K10 F79 | K10-R41 VanDerWaalsContact O-CB 3.31Å; K10-R41 WeakPolarHBondContact O-CB 3.33Å; K10-R41 PolarHBondContact O-N 2.86Å; R41-F79 VanDerWaalsContact NE-CZ 3.31Å |
| 42 | F | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 148.4 | 175.3 | 55.8 | -88.2 | 0 | 0 | 0 | 109.2 | F6 A9 F11 F12 L25 V40 I44 P63 V65 W69 F79 F82 | F6-F42 HydrophobicContact CD1-CE1 4.27Å; F6-F42 HydrophobicContact CD1-CZ 4.03Å; F6-F42 HydrophobicContact CE1-CE1 4.16Å; F6-F42 AromaticContact CE1-CZ 3.86Å; F6-F42 HydrophobicContact CE1-CZ 3.86Å; A9-F42 HydrophobicContact CB-CE1 4.45Å; F11-F42 WeakPolarHBondContact CA-O 3.34Å; F11-F42 HydrophobicContact CB-CD2 4.03Å; F11-F42 HydrophobicContact CB-CE1 4.3Å; F11-F42 HydrophobicContact CB-CE2 3.48Å; F11-F42 VanDerWaalsContact CB-CE2 3.48Å; F11-F42 HydrophobicContact CB-CZ 3.64Å; F11-F42 HydrophobicContact CG-CE2 4.35Å; F11-F42 HydrophobicContact CG-CZ 4.46Å; F12-F42 PolarHBondContact N-O 3.07Å; L25-F42 HydrophobicContact CD1-CE2 4.31Å; L25-F42 HydrophobicContact CD2-CZ 4.1Å; V40-F42 WeakPolarHBondContact CG1-O 3.31Å; F42-I44 HydrophobicContact CD2-CG1 4.18Å; F42-I44 HydrophobicContact CE2-CD1 4.27Å; F42-I44 HydrophobicContact CE2-CG1 4.19Å; F42-P63 WeakPolarHBondContact CA-O 3.29Å; F42-P63 HydrophobicContact CB-CG 4.36Å; F42-V65 HydrophobicContact CB-CG2 4.36Å; F42-V65 HydrophobicContact CD2-CG2 4.11Å; F42-W69 AromaticContact CD1-CH2 3.81Å; F42-W69 HydrophobicContact CD1-CH2 3.81Å; F42-W69 HydrophobicContact CD1-CZ3 4.17Å; F42-W69 HydrophobicContact CD2-CH2 4.13Å; F42-W69 AromaticContact CD2-CZ3 3.7Å; F42-W69 HydrophobicContact CD2-CZ3 3.7Å; F42-W69 AromaticContact CE1-CH2 3.92Å; F42-W69 HydrophobicContact CE1-CH2 3.92Å; F42-W69 HydrophobicContact CE1-CZ3 4.1Å; F42-W69 HydrophobicContact CE2-CH2 4.22Å; F42-W69 AromaticContact CE2-CZ3 3.61Å; F42-W69 HydrophobicContact CE2-CZ3 3.61Å; F42-W69 AromaticContact CG-CH2 3.93Å; F42-W69 HydrophobicContact CG-CH2 3.93Å; F42-W69 AromaticContact CG-CZ3 3.99Å; F42-W69 HydrophobicContact CG-CZ3 3.99Å; F42-W69 HydrophobicContact CZ-CH2 4.12Å; F42-W69 AromaticContact CZ-CZ3 3.82Å; F42-W69 HydrophobicContact CZ-CZ3 3.82Å; F42-F79 HydrophobicContact CD1-CE1 4.47Å; F42-F79 HydrophobicContact CE1-CE1 4.02Å; F42-F82 HydrophobicContact CB-CE1 4.13Å |
| 43 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 143.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | F12 I14 A56 V62 P63 V64 V65 | F12-A43 HydrophobicContact CB-CB 4.37Å; F12-A43 CarbonylContact O-C 3.57Å; F12-A43 WeakPolarHBondContact O-CA 3.49Å; I14-A43 HydrophobicContact CD1-CB 3.83Å; I14-A43 HydrophobicContact CG1-CB 4.46Å; A43-A56 HydrophobicContact CB-CB 4.26Å; A43-V62 HydrophobicContact CB-CG1 3.97Å; A43-P63 PolarHBondContact N-O 3.46Å; A43-V64 HydrophobicContact CB-CG2 4.24Å; A43-V64 WeakPolarHBondContact O-CA 3.38Å; A43-V65 WeakPolarHBondContact O-CG2 3.44Å; A43-V65 PolarHBondContact O-N 3.21Å |
| 44 | I | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.4 | -179.2 | -54.9 | 173.6 | 0 | 0 | 0 | 109.1 | F11 F12 I14 S15 C16 V21 L25 F42 V65 V70 | F11-I44 HydrophobicContact CD2-CD1 3.89Å; F11-I44 HydrophobicContact CE2-CD1 4.4Å; F12-I44 PolarHBondContact O-N 2.77Å; I14-I44 PolarHBondContact N-O 2.99Å; S15-I44 PolarHBondContact N-O 2.92Å; C16-I44 HydrophobicContact CB-CG2 4.18Å; V21-I44 HydrophobicContact CG1-CD1 4.44Å; L25-I44 HydrophobicContact CD1-CD1 3.56Å; F42-I44 HydrophobicContact CD2-CG1 4.18Å; F42-I44 HydrophobicContact CE2-CD1 4.27Å; F42-I44 HydrophobicContact CE2-CG1 4.19Å; I44-V65 CarbonylContact C-O 3.05Å; I44-V65 VanDerWaalsContact CA-O 3.25Å; I44-V65 WeakPolarHBondContact CA-O 3.31Å; I44-V70 HydrophobicContact CD1-CG2 4.11Å |
| 45 | S | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 124.2 | 166.3 | -156.2 | 0 | 0 | 0 | 0 | 111.4 | S15 D47 V65 T66 | S15-S45 CarbonylContact O-C 3.46Å; S15-S45 WeakPolarHBondContact O-CA 3.48Å; S45-D47 VanDerWaalsContact C-N 3.32Å; S45-D47 PolarHBondContact OG-N 3.45Å; S45-D47 PolarHBondContact OG-O 2.77Å; S45-V65 PolarHBondContact N-O 2.8Å; S45-T66 WeakPolarHBondContact O-CA 3.42Å |
| 46 | D | 95.6 | Very high | 95.9 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -86.2 | -2.2 | 165.8 | -68.2 | -40.7 | 0 | 0 | 0 | 112.7 | S15 C16 N17 S67 | S15-D46 PolarHBondContact O-N 2.73Å; C16-D46 WeakPolarHBondContact CA-OD2 3.43Å; N17-D46 PolarHBondContact N-OD2 3.06Å; N17-D46 WeakPolarHBondContact ND2-CB 3.22Å; D46-S67 VanDerWaalsContact CG-OG 3.27Å; D46-S67 WeakPolarHBondContact OD1-CB 3.49Å; D46-S67 PolarHBondContact OD1-N 2.93Å; D46-S67 PolarHBondContact OD1-OG 3.43Å; D46-S67 WeakPolarHBondContact OD2-CB 3.39Å; D46-S67 PolarHBondContact OD2-OG 3.27Å |
| 47 | D | 95.1 | Very high | 95.9 | Very high | 54 Ų | 54 | 50 Ų | 50 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | trans | -128.8 | 122.2 | -177.3 | -174.3 | -17.7 | 0 | 0 | 0 | 110.1 | S45 S49 L50 V53 | S45-D47 VanDerWaalsContact C-N 3.32Å; S45-D47 PolarHBondContact OG-N 3.45Å; S45-D47 PolarHBondContact OG-O 2.77Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.37Å; D47-S49 PolarHBondContact OD1-N 3.04Å; D47-S49 PolarHBondContact OD1-OG 3.03Å; D47-S49 PolarHBondContact OD2-OG 3.21Å; D47-L50 HydrophobicContact CB-CD1 4.09Å; D47-L50 HydrophobicContact CB-CG 4.4Å; D47-V53 WeakPolarHBondContact O-CG2 3.31Å | ||
| 48 | P | 93.7 | Very high | 96 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -83 | -10.2 | 179.1 | 32.3 | -33.2 | 0 | 0 | 0 | 113.9 | L50 P87 D88 | P48-L50 VanDerWaalsContact C-N 3.31Å; P48-L50 PolarHBondContact O-N 3.05Å; P48-P87 HydrophobicContact CB-CB 3.91Å; P48-P87 HydrophobicContact CB-CG 4.15Å; P48-P87 HydrophobicContact CG-CB 4.38Å; P48-D88 HydrophobicContact CB-CB 3.85Å |
| 49 | S | 94.4 | Very high | 96 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -83.2 | -3.8 | -171.6 | 71.2 | 0 | 0 | 0 | 0 | 114.8 | D47 | D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.37Å; D47-S49 PolarHBondContact OD1-N 3.04Å; D47-S49 PolarHBondContact OD1-OG 3.03Å; D47-S49 PolarHBondContact OD2-OG 3.21Å |
| 50 | L | 95.1 | Very high | 96.1 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -87.3 | 134.9 | -176.3 | -62.2 | 172.4 | 0 | 0 | 0 | 111.2 | I14 D47 P48 E52 V53 | I14-L50 HydrophobicContact CG2-CB 4.02Å; I14-L50 HydrophobicContact CG2-CD1 3.77Å; D47-L50 HydrophobicContact CB-CD1 4.09Å; D47-L50 HydrophobicContact CB-CG 4.4Å; P48-L50 VanDerWaalsContact C-N 3.31Å; P48-L50 PolarHBondContact O-N 3.05Å; L50-E52 PolarHBondContact O-N 3.29Å; L50-V53 HydrophobicContact CB-CG2 4.33Å; L50-V53 WeakPolarHBondContact O-CB 3.42Å; L50-V53 PolarHBondContact O-N 2.66Å |
| 51 | A | 95.2 | Very high | 96 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 66% | 0.661 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62 | -30.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V53 G54 E55 | A51-V53 PolarHBondContact O-N 2.86Å; A51-G54 PolarHBondContact O-N 2.96Å; A51-G54 VanDerWaalsContact O-N 3.14Å; A51-E55 PolarHBondContact O-N 3.35Å |
| 52 | E | 95.7 | Very high | 96.1 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 41% | 0.407 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -18.3 | 177.7 | -61 | 85.1 | 166.9 | 0 | 0 | 113.1 | I14 L50 A56 | I14-E52 HydrophobicContact CD1-CB 4.47Å; I14-E52 WeakPolarHBondContact CD1-O 3.42Å; I14-E52 HydrophobicContact CG1-CB 4.08Å; I14-E52 HydrophobicContact CG2-CB 3.83Å; L50-E52 PolarHBondContact O-N 3.29Å; E52-A56 WeakPolarHBondContact O-CB 3.28Å; E52-A56 PolarHBondContact O-N 3.46Å; E52-A56 VanDerWaalsContact O-N 3.12Å |
| 53 | V | 96.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.1 | -51.4 | 170.2 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | I14 D47 L50 A51 E55 A56 E57 V64 P87 | I14-V53 HydrophobicContact CD1-CG2 4.17Å; I14-V53 HydrophobicContact CG2-CG2 4.11Å; D47-V53 WeakPolarHBondContact O-CG2 3.31Å; L50-V53 HydrophobicContact CB-CG2 4.33Å; L50-V53 WeakPolarHBondContact O-CB 3.42Å; L50-V53 PolarHBondContact O-N 2.66Å; A51-V53 PolarHBondContact O-N 2.86Å; V53-E55 VanDerWaalsContact C-N 3.33Å; V53-E55 PolarHBondContact O-N 3.38Å; V53-A56 PolarHBondContact O-N 3.11Å; V53-E57 PolarHBondContact O-N 2.9Å; V53-V64 HydrophobicContact CG1-CB 4.31Å; V53-V64 HydrophobicContact CG1-CG1 4.15Å; V53-V64 HydrophobicContact CG1-CG2 4.12Å; V53-V64 HydrophobicContact CG2-CG1 4.4Å; V53-P87 HydrophobicContact CG1-CG 4.41Å |
| 54 | G | 95.7 | Very high | 96.1 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A51 A56 E57 E58 | A51-G54 PolarHBondContact O-N 2.96Å; A51-G54 VanDerWaalsContact O-N 3.14Å; G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 3.31Å; G54-E57 PolarHBondContact O-N 2.81Å; G54-E58 VanDerWaalsContact O-CB 3.25Å; G54-E58 WeakPolarHBondContact O-CB 3.37Å; G54-E58 WeakPolarHBondContact O-CG 3.21Å; G54-E58 PolarHBondContact O-N 2.9Å |
| 55 | E | 96.3 | Very high | 96 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 176.4 | -158.3 | -172.7 | 144.7 | 0 | 0 | 112.2 | L36 A51 V53 L59 Y60 | L36-E55 HydrophobicContact CD2-CB 4.02Å; L36-E55 HydrophobicContact CD2-CG 4.06Å; A51-E55 PolarHBondContact O-N 3.35Å; V53-E55 VanDerWaalsContact C-N 3.33Å; V53-E55 PolarHBondContact O-N 3.38Å; E55-L59 HydrophobicContact CG-CD1 3.74Å; E55-L59 HydrophobicContact CG-CG 4.21Å; E55-L59 WeakPolarHBondContact O-CB 3.33Å; E55-L59 PolarHBondContact O-N 2.57Å; E55-L59 VanDerWaalsContact O-N 3.08Å; E55-Y60 HydrophobicContact CG-CD2 4.5Å; E55-Y60 HydrophobicContact CG-CE2 4.07Å; E55-Y60 WeakPolarHBondContact O-CD2 3.18Å |
| 56 | A | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I14 L36 A43 E52 V53 G54 Y60 A61 V62 V64 | I14-A56 HydrophobicContact CD1-CB 4.31Å; L36-A56 HydrophobicContact CD1-CB 3.79Å; L36-A56 HydrophobicContact CD2-CB 3.96Å; L36-A56 HydrophobicContact CG-CB 4.48Å; A43-A56 HydrophobicContact CB-CB 4.26Å; E52-A56 WeakPolarHBondContact O-CB 3.28Å; E52-A56 PolarHBondContact O-N 3.46Å; E52-A56 VanDerWaalsContact O-N 3.12Å; V53-A56 PolarHBondContact O-N 3.11Å; G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 3.31Å; A56-Y60 CarbonylContact O-C 3.48Å; A56-A61 PolarHBondContact O-N 3.38Å; A56-A61 VanDerWaalsContact O-N 3.17Å; A56-V62 CarbonylContact C-O 3.4Å; A56-V62 HydrophobicContact CB-CB 4.36Å; A56-V62 PolarHBondContact O-N 3.45Å; A56-V64 HydrophobicContact CB-CG2 3.66Å |
| 57 | E | 96.2 | Very high | 95.9 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.2 | -40.7 | -176.8 | -55.3 | -145.7 | 139.9 | 0 | 0 | 112.5 | V53 G54 A61 V64 H86 | V53-E57 PolarHBondContact O-N 2.9Å; G54-E57 PolarHBondContact O-N 2.81Å; E57-A61 WeakPolarHBondContact O-CA 3.49Å; E57-A61 PolarHBondContact O-N 3.2Å; E57-V64 HydrophobicContact CG-CB 4.37Å; E57-V64 HydrophobicContact CG-CG2 3.75Å; E57-V64 PolarHBondContact OE1-N 3.06Å; E57-H86 IonicContact OE1-CD2 2.77Å; E57-H86 IonicContact OE1-NE2 3.04Å; E57-H86 IonicContact OE2-CD2 3.05Å; E57-H86 IonicContact OE2-NE2 2.64Å |
| 58 | E | 95.7 | Very high | 95.8 | Very high | 166 Ų | 166 | 56.7 Ų | 56.7 | 78% | 0.776 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -82.8 | -43 | -174.5 | -62.9 | -174.9 | 179.2 | 0 | 0 | 113.8 | G54 | G54-E58 VanDerWaalsContact O-CB 3.25Å; G54-E58 WeakPolarHBondContact O-CB 3.37Å; G54-E58 WeakPolarHBondContact O-CG 3.21Å; G54-E58 PolarHBondContact O-N 2.9Å |
| 59 | L | 95.9 | Very high | 95.8 | Very high | 121 Ų | 121 | 53.9 Ų | 53.9 | 63% | 0.634 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -93 | -33 | -174.6 | -56 | -168.4 | 0 | 0 | 0 | 113.4 | E55 | E55-L59 HydrophobicContact CG-CD1 3.74Å; E55-L59 HydrophobicContact CG-CG 4.21Å; E55-L59 WeakPolarHBondContact O-CB 3.33Å; E55-L59 PolarHBondContact O-N 2.57Å; E55-L59 VanDerWaalsContact O-N 3.08Å |
| 60 | Y | 96.5 | Very high | 95.8 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -114.2 | -4.8 | -173.8 | -60.3 | -73.4 | 0 | 0 | 0 | 114.4 | L36 E38 E55 A56 V62 | L36-Y60 HydrophobicContact CB-CE2 4.3Å; L36-Y60 HydrophobicContact CD1-CD2 4.4Å; L36-Y60 HydrophobicContact CD2-CD2 3.62Å; L36-Y60 HydrophobicContact CD2-CE2 3.74Å; L36-Y60 HydrophobicContact CG-CD2 3.5Å; L36-Y60 HydrophobicContact CG-CE2 3.71Å; L36-Y60 HydrophobicContact CG-CG 4.3Å; E38-Y60 HydrophobicContact CG-CD1 4.21Å; E55-Y60 HydrophobicContact CG-CD2 4.5Å; E55-Y60 HydrophobicContact CG-CE2 4.07Å; E55-Y60 WeakPolarHBondContact O-CD2 3.18Å; A56-Y60 CarbonylContact O-C 3.48Å; Y60-V62 PolarHBondContact O-N 3.43Å; Y60-V62 VanDerWaalsContact O-N 3.16Å |
| 61 | A | 96.2 | Very high | 95.7 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 71% | 0.711 | 27% | 0.274 | S | S | * | . | trans | 52.5 | 28.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | A56 E57 | A56-A61 PolarHBondContact O-N 3.38Å; A56-A61 VanDerWaalsContact O-N 3.17Å; E57-A61 WeakPolarHBondContact O-CA 3.49Å; E57-A61 PolarHBondContact O-N 3.2Å | ||
| 62 | V | 97.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 117.5 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 108.4 | V40 A43 A56 Y60 V64 | V40-V62 HydrophobicContact CB-CG1 4.11Å; V40-V62 HydrophobicContact CB-CG2 4.14Å; V40-V62 HydrophobicContact CG1-CG1 3.73Å; A43-V62 HydrophobicContact CB-CG1 3.97Å; A56-V62 CarbonylContact C-O 3.4Å; A56-V62 HydrophobicContact CB-CB 4.36Å; A56-V62 PolarHBondContact O-N 3.45Å; Y60-V62 PolarHBondContact O-N 3.43Å; Y60-V62 VanDerWaalsContact O-N 3.16Å; V62-V64 PolarHBondContact O-N 3.19Å |
| 63 | P | 96.7 | Very high | 95.4 | Very high | 28 Ų | 28 | 43.2 Ų | 43.2 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 135.2 | -178 | 27.6 | -34.2 | 0 | 0 | 0 | 111.3 | F42 A43 F82 | F42-P63 WeakPolarHBondContact CA-O 3.29Å; F42-P63 HydrophobicContact CB-CG 4.36Å; A43-P63 PolarHBondContact N-O 3.46Å; P63-F82 HydrophobicContact CB-CB 3.91Å; P63-F82 HydrophobicContact CB-CD1 4.2Å; P63-F82 HydrophobicContact CB-CD2 3.76Å; P63-F82 HydrophobicContact CB-CE2 4.29Å; P63-F82 HydrophobicContact CB-CG 3.71Å; P63-F82 HydrophobicContact CG-CD1 4.07Å; P63-F82 HydrophobicContact CG-CD2 3.71Å; P63-F82 HydrophobicContact CG-CE1 4.04Å; P63-F82 HydrophobicContact CG-CE2 3.71Å; P63-F82 HydrophobicContact CG-CG 3.9Å; P63-F82 HydrophobicContact CG-CZ 3.87Å |
| 64 | V | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.4 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | I14 A43 V53 A56 E57 V62 P87 | I14-V64 HydrophobicContact CD1-CG1 4.38Å; I14-V64 HydrophobicContact CD1-CG2 4.18Å; A43-V64 HydrophobicContact CB-CG2 4.24Å; A43-V64 WeakPolarHBondContact O-CA 3.38Å; V53-V64 HydrophobicContact CG1-CB 4.31Å; V53-V64 HydrophobicContact CG1-CG1 4.15Å; V53-V64 HydrophobicContact CG1-CG2 4.12Å; V53-V64 HydrophobicContact CG2-CG1 4.4Å; A56-V64 HydrophobicContact CB-CG2 3.66Å; E57-V64 HydrophobicContact CG-CB 4.37Å; E57-V64 HydrophobicContact CG-CG2 3.75Å; E57-V64 PolarHBondContact OE1-N 3.06Å; V62-V64 PolarHBondContact O-N 3.19Å; V64-P87 HydrophobicContact CG1-CG 4.04Å |
| 65 | V | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 149.1 | 179.5 | -72.4 | 0 | 0 | 0 | 0 | 112.6 | F42 A43 I44 S45 W69 F82 F85 | F42-V65 HydrophobicContact CB-CG2 4.36Å; F42-V65 HydrophobicContact CD2-CG2 4.11Å; A43-V65 WeakPolarHBondContact O-CG2 3.44Å; A43-V65 PolarHBondContact O-N 3.21Å; I44-V65 CarbonylContact C-O 3.05Å; I44-V65 VanDerWaalsContact CA-O 3.25Å; I44-V65 WeakPolarHBondContact CA-O 3.31Å; S45-V65 PolarHBondContact N-O 2.8Å; V65-W69 HydrophobicContact CB-CB 3.87Å; V65-W69 HydrophobicContact CB-CD2 4.09Å; V65-W69 HydrophobicContact CB-CE3 4.33Å; V65-W69 HydrophobicContact CB-CG 3.89Å; V65-W69 HydrophobicContact CG1-CB 4.25Å; V65-W69 HydrophobicContact CG1-CD2 4.04Å; V65-W69 HydrophobicContact CG1-CG 3.83Å; V65-W69 HydrophobicContact CG2-CB 4.38Å; V65-W69 HydrophobicContact CG2-CD2 3.89Å; V65-W69 HydrophobicContact CG2-CE3 3.66Å; V65-W69 HydrophobicContact CG2-CG 4.22Å; V65-W69 HydrophobicContact CG2-CZ3 4.18Å; V65-F82 HydrophobicContact CG1-CB 3.83Å; V65-F82 HydrophobicContact CG1-CD1 3.78Å; V65-F82 HydrophobicContact CG1-CG 4.3Å; V65-F85 CarbonylContact C-O 3.42Å; V65-F85 WeakPolarHBondContact CA-O 3.36Å; V65-F85 HydrophobicContact CG1-CB 4.5Å |
| 66 | T | 95.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | trans | -69.5 | 158.3 | 170.2 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | S45 H68 W69 F85 P87 | S45-T66 WeakPolarHBondContact O-CA 3.42Å; T66-H68 PolarHBondContact O-N 3Å; T66-H68 VanDerWaalsContact O-N 3.12Å; T66-W69 WeakPolarHBondContact O-CB 3.45Å; T66-W69 PolarHBondContact O-N 3.23Å; T66-W69 VanDerWaalsContact O-N 3.1Å; T66-F85 WeakPolarHBondContact CG2-O 3.47Å; T66-F85 PolarHBondContact N-O 2.96Å; T66-F85 PolarHBondContact OG1-O 2.99Å; T66-F85 VanDerWaalsContact OG1-O 3.04Å; T66-P87 HydrophobicContact CG2-CB 4.21Å | ||
| 67 | S | 95 | Very high | 94.3 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.3 | -27.7 | 171.8 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | H18 D46 V70 K71 | H18-S67 PolarHBondContact CD2-OG 3.01Å; D46-S67 VanDerWaalsContact CG-OG 3.27Å; D46-S67 WeakPolarHBondContact OD1-CB 3.49Å; D46-S67 PolarHBondContact OD1-N 2.93Å; D46-S67 PolarHBondContact OD1-OG 3.43Å; D46-S67 WeakPolarHBondContact OD2-CB 3.39Å; D46-S67 PolarHBondContact OD2-OG 3.27Å; S67-V70 PolarHBondContact O-N 3.23Å; S67-K71 PolarHBondContact O-N 3.07Å |
| 68 | H | 91.9 | Very high | 94.1 | Very high | 97 Ų | 97 | 46 Ų | 46 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.5 | -170.8 | 62.7 | 0 | 0 | 0 | 112.8 | T66 V70 K71 L72 F85 | T66-H68 PolarHBondContact O-N 3Å; T66-H68 VanDerWaalsContact O-N 3.12Å; H68-V70 VanDerWaalsContact C-N 3.25Å; H68-V70 PolarHBondContact O-N 2.87Å; H68-K71 PolarHBondContact O-N 2.87Å; H68-L72 WeakPolarHBondContact NE2-CD1 3.47Å; H68-L72 PolarHBondContact O-N 2.89Å; H68-L72 VanDerWaalsContact O-N 3.15Å; H68-F85 AromaticContact CD2-CE1 3.84Å |
| 69 | W | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.3 | -40.6 | 173.6 | 175 | 92.6 | 0 | 0 | 0 | 111.9 | F6 F42 V65 T66 S73 F79 L80 F82 F85 | F6-W69 AromaticContact CE1-CH2 3.94Å; F6-W69 HydrophobicContact CE1-CH2 3.94Å; F6-W69 AromaticContact CE1-CZ3 3.84Å; F6-W69 HydrophobicContact CE1-CZ3 3.84Å; F6-W69 HydrophobicContact CZ-CH2 4.3Å; F6-W69 HydrophobicContact CZ-CZ3 4.19Å; F42-W69 AromaticContact CD1-CH2 3.81Å; F42-W69 HydrophobicContact CD1-CH2 3.81Å; F42-W69 HydrophobicContact CD1-CZ3 4.17Å; F42-W69 HydrophobicContact CD2-CH2 4.13Å; F42-W69 AromaticContact CD2-CZ3 3.7Å; F42-W69 HydrophobicContact CD2-CZ3 3.7Å; F42-W69 AromaticContact CE1-CH2 3.92Å; F42-W69 HydrophobicContact CE1-CH2 3.92Å; F42-W69 HydrophobicContact CE1-CZ3 4.1Å; F42-W69 HydrophobicContact CE2-CH2 4.22Å; F42-W69 AromaticContact CE2-CZ3 3.61Å; F42-W69 HydrophobicContact CE2-CZ3 3.61Å; F42-W69 AromaticContact CG-CH2 3.93Å; F42-W69 HydrophobicContact CG-CH2 3.93Å; F42-W69 AromaticContact CG-CZ3 3.99Å; F42-W69 HydrophobicContact CG-CZ3 3.99Å; F42-W69 HydrophobicContact CZ-CH2 4.12Å; F42-W69 AromaticContact CZ-CZ3 3.82Å; F42-W69 HydrophobicContact CZ-CZ3 3.82Å; V65-W69 HydrophobicContact CB-CB 3.87Å; V65-W69 HydrophobicContact CB-CD2 4.09Å; V65-W69 HydrophobicContact CB-CE3 4.33Å; V65-W69 HydrophobicContact CB-CG 3.89Å; V65-W69 HydrophobicContact CG1-CB 4.25Å; V65-W69 HydrophobicContact CG1-CD2 4.04Å; V65-W69 HydrophobicContact CG1-CG 3.83Å; V65-W69 HydrophobicContact CG2-CB 4.38Å; V65-W69 HydrophobicContact CG2-CD2 3.89Å; V65-W69 HydrophobicContact CG2-CE3 3.66Å; V65-W69 HydrophobicContact CG2-CG 4.22Å; V65-W69 HydrophobicContact CG2-CZ3 4.18Å; T66-W69 WeakPolarHBondContact O-CB 3.45Å; T66-W69 PolarHBondContact O-N 3.23Å; T66-W69 VanDerWaalsContact O-N 3.1Å; W69-S73 WeakPolarHBondContact O-CB 3.49Å; W69-S73 PolarHBondContact O-N 2.9Å; W69-S73 PolarHBondContact O-OG 2.86Å; W69-F79 AromaticContact CH2-CD1 3.57Å; W69-F79 HydrophobicContact CH2-CD1 3.57Å; W69-F79 AromaticContact CH2-CE1 3.99Å; W69-F79 HydrophobicContact CH2-CE1 3.99Å; W69-F79 HydrophobicContact CZ2-CB 4.41Å; W69-F79 AromaticContact CZ2-CD1 3.72Å; W69-F79 HydrophobicContact CZ2-CD1 3.72Å; W69-L80 HydrophobicContact CG-CB 4.48Å; W69-L80 PolarHBondContact NE1-O 3.47Å; W69-F82 AromaticContact CE2-CD1 3.84Å; W69-F82 HydrophobicContact CH2-CE1 4.02Å; W69-F82 AromaticContact CZ2-CD1 3.71Å; W69-F82 HydrophobicContact CZ2-CD1 3.71Å; W69-F82 AromaticContact CZ2-CE1 3.41Å; W69-F82 HydrophobicContact CZ2-CE1 3.41Å; W69-F82 VanDerWaalsContact CZ2-CE1 3.41Å; W69-F82 AromaticContact NE1-CD1 3.82Å; W69-F85 HydrophobicContact CB-CB 3.66Å; W69-F85 HydrophobicContact CB-CD1 4.13Å; W69-F85 HydrophobicContact CB-CD2 4.37Å; W69-F85 HydrophobicContact CB-CG 3.8Å; W69-F85 AromaticContact CD1-CD2 3.61Å; W69-F85 AromaticContact CD1-CG 3.91Å; W69-F85 HydrophobicContact CG-CB 4.23Å; W69-F85 HydrophobicContact CG-CD2 4.38Å; W69-F85 HydrophobicContact CG-CG 4.28Å |
| 70 | V | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -49.1 | 179.9 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | V21 L25 I44 S67 H68 L72 S73 V74 | V21-V70 HydrophobicContact CG1-CB 3.63Å; V21-V70 HydrophobicContact CG1-CG1 3.73Å; V21-V70 HydrophobicContact CG1-CG2 3.69Å; L25-V70 HydrophobicContact CD1-CG1 3.98Å; L25-V70 HydrophobicContact CD1-CG2 4.2Å; L25-V70 HydrophobicContact CD2-CG1 3.76Å; L25-V70 HydrophobicContact CG-CG1 3.72Å; I44-V70 HydrophobicContact CD1-CG2 4.11Å; S67-V70 PolarHBondContact O-N 3.23Å; H68-V70 VanDerWaalsContact C-N 3.25Å; H68-V70 PolarHBondContact O-N 2.87Å; V70-L72 PolarHBondContact O-N 2.77Å; V70-S73 PolarHBondContact O-N 2.98Å; V70-V74 HydrophobicContact CG1-CG2 4.17Å; V70-V74 WeakPolarHBondContact O-CB 3.48Å; V70-V74 VanDerWaalsContact O-CG2 3.28Å; V70-V74 WeakPolarHBondContact O-CG2 3.39Å; V70-V74 PolarHBondContact O-N 2.84Å |
| 71 | K | 93 | Very high | 93.5 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -55.8 | -48.2 | -178.3 | -67.7 | 176.9 | 177.2 | -178.5 | 0 | 111.6 | H18 E20 V21 S67 H68 E75 | H18-K71 PolarHBondContact CE1-NZ 3.14Å; H18-K71 PolarHBondContact ND1-NZ 2.78Å; E20-K71 WeakPolarHBondContact OE1-CE 3.23Å; E20-K71 IonicContact OE1-NZ 2.69Å; E20-K71 PolarHBondContact OE1-NZ 2.86Å; V21-K71 HydrophobicContact CG2-CD 4.29Å; V21-K71 HydrophobicContact CG2-CG 4Å; S67-K71 PolarHBondContact O-N 3.07Å; H68-K71 PolarHBondContact O-N 2.87Å; K71-E75 PolarHBondContact O-N 2.83Å |
| 72 | L | 90.6 | Very high | 93.4 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.1 | -40 | 177.4 | -65.4 | 179.5 | 0 | 0 | 0 | 113.3 | H68 V70 V74 E75 A76 L80 F85 | H68-L72 WeakPolarHBondContact NE2-CD1 3.47Å; H68-L72 PolarHBondContact O-N 2.89Å; H68-L72 VanDerWaalsContact O-N 3.15Å; V70-L72 PolarHBondContact O-N 2.77Å; L72-V74 PolarHBondContact O-N 3.14Å; L72-E75 PolarHBondContact O-N 3Å; L72-A76 PolarHBondContact O-N 3.42Å; L72-A76 VanDerWaalsContact O-N 3.07Å; L72-L80 HydrophobicContact CB-CD1 3.47Å; L72-L80 VanDerWaalsContact CB-CD1 3.47Å; L72-L80 HydrophobicContact CD1-CD1 4.27Å; L72-F85 HydrophobicContact CD1-CE1 3.79Å; L72-F85 HydrophobicContact CD1-CZ 4.03Å |
| 73 | S | 93 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -31.5 | 177.4 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | W69 V70 Q77 K78 L80 | W69-S73 WeakPolarHBondContact O-CB 3.49Å; W69-S73 PolarHBondContact O-N 2.9Å; W69-S73 PolarHBondContact O-OG 2.86Å; V70-S73 PolarHBondContact O-N 2.98Å; S73-Q77 PolarHBondContact O-N 2.85Å; S73-K78 CarbonylContact C-O 3.58Å; S73-K78 WeakPolarHBondContact CA-O 3.28Å; S73-K78 WeakPolarHBondContact CB-O 3.4Å; S73-K78 PolarHBondContact O-N 2.63Å; S73-K78 VanDerWaalsContact O-O 3.1Å; S73-K78 PolarHBondContact OG-O 2.89Å; S73-L80 WeakPolarHBondContact OG-CB 3.49Å; S73-L80 PolarHBondContact OG-N 2.92Å |
| 74 | V | 92.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.8 | -47.1 | 171.9 | 172 | 0 | 0 | 0 | 0 | 111.3 | F6 L24 L28 V70 L72 A76 Q77 | F6-V74 HydrophobicContact CD2-CG2 3.93Å; F6-V74 HydrophobicContact CE2-CB 4.44Å; F6-V74 HydrophobicContact CE2-CG2 3.47Å; F6-V74 VanDerWaalsContact CE2-CG2 3.47Å; F6-V74 HydrophobicContact CZ-CG2 4.14Å; L24-V74 HydrophobicContact CD1-CG1 4.24Å; L24-V74 HydrophobicContact CD2-CB 4.31Å; L24-V74 HydrophobicContact CD2-CG1 4.19Å; L24-V74 HydrophobicContact CD2-CG2 4.11Å; L24-V74 HydrophobicContact CG-CG1 4.41Å; L24-V74 HydrophobicContact CG-CG2 4.32Å; L28-V74 HydrophobicContact CD1-CB 4.23Å; L28-V74 HydrophobicContact CD1-CG1 3.74Å; L28-V74 HydrophobicContact CD1-CG2 3.42Å; L28-V74 VanDerWaalsContact CD1-CG2 3.42Å; V70-V74 HydrophobicContact CG1-CG2 4.17Å; V70-V74 WeakPolarHBondContact O-CB 3.48Å; V70-V74 VanDerWaalsContact O-CG2 3.28Å; V70-V74 WeakPolarHBondContact O-CG2 3.39Å; V70-V74 PolarHBondContact O-N 2.84Å; L72-V74 PolarHBondContact O-N 3.14Å; V74-A76 PolarHBondContact O-N 2.88Å; V74-Q77 PolarHBondContact O-N 2.86Å; V74-Q77 VanDerWaalsContact O-N 3.16Å; V74-Q77 PolarHBondContact O-NE2 2.84Å |
| 75 | E | 90.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 42.4 Ų | 42.4 | 38% | 0.379 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.8 | -41.8 | 178.7 | 175 | 163.3 | 117.3 | 0 | 0 | 112.2 | K71 L72 K727 | K71-E75 PolarHBondContact O-N 2.83Å; L72-E75 PolarHBondContact O-N 3Å; E75-K727 HydrophobicContact CG-CD 4.28Å; E75-K727 HydrophobicContact CG-CG 4.2Å; E75-K727 WeakPolarHBondContact OE1-CB 3.19Å; E75-K727 VanDerWaalsContact OE1-CG 3.28Å; E75-K727 WeakPolarHBondContact OE1-CG 3.47Å; E75-K727 PolarHBondContact OE1-N 3.41Å; E75-K727 VanDerWaalsContact OE1-N 3.12Å; E75-K727 WeakPolarHBondContact OE2-CD 3.38Å; E75-K727 WeakPolarHBondContact OE2-CE 3.44Å; E75-K727 IonicContact OE2-NZ 3.81Å; E75-K727 PolarHBondContact OE2-NZ 2.84Å |
| 76 | A | 88.9 | Confident | 92.6 | Very high | 24 Ų | 24 | 44 Ų | 44 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 11.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L72 V74 K78 M725 | L72-A76 PolarHBondContact O-N 3.42Å; L72-A76 VanDerWaalsContact O-N 3.07Å; V74-A76 PolarHBondContact O-N 2.88Å; A76-K78 VanDerWaalsContact C-N 3.27Å; A76-K78 PolarHBondContact O-N 3.2Å; A76-K78 VanDerWaalsContact O-N 3.14Å; A76-M725 HydrophobicContact CB-CB 4.44Å; A76-M725 HydrophobicContact CB-CE 3.42Å; A76-M725 VanDerWaalsContact CB-CE 3.42Å; A76-M725 HydrophobicContact CB-CG 3.97Å; A76-M725 HydrophobicContact CB-SD 3.36Å; A76-M725 WeakPolarHBondContact CB-SD 3.27Å |
| 77 | Q | 91.6 | Very high | 92.5 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 43.9 | 176.1 | -64.3 | -64 | -47.5 | 0 | 0 | 114.3 | V5 S73 V74 | V5-Q77 WeakPolarHBondContact CG1-O 3.43Å; S73-Q77 PolarHBondContact O-N 2.85Å; V74-Q77 PolarHBondContact O-N 2.86Å; V74-Q77 VanDerWaalsContact O-N 3.16Å; V74-Q77 PolarHBondContact O-NE2 2.84Å |
| 78 | K | 92.1 | Very high | 92.4 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -156.8 | 142.7 | -175.4 | 152 | -167.3 | 157.1 | -162 | 0 | 109.8 | S73 A76 L80 N721 M725 | S73-K78 CarbonylContact C-O 3.58Å; S73-K78 WeakPolarHBondContact CA-O 3.28Å; S73-K78 WeakPolarHBondContact CB-O 3.4Å; S73-K78 PolarHBondContact O-N 2.63Å; S73-K78 VanDerWaalsContact O-O 3.1Å; S73-K78 PolarHBondContact OG-O 2.89Å; A76-K78 VanDerWaalsContact C-N 3.27Å; A76-K78 PolarHBondContact O-N 3.2Å; A76-K78 VanDerWaalsContact O-N 3.14Å; K78-L80 PolarHBondContact O-N 3.48Å; K78-N721 WeakPolarHBondContact CD-OD1 3.29Å; K78-N721 WeakPolarHBondContact CE-OD1 3.41Å; K78-N721 PolarHBondContact NZ-O 3.47Å; K78-N721 PolarHBondContact NZ-OD1 3.35Å; K78-M725 HydrophobicContact CB-CE 3.63Å; K78-M725 HydrophobicContact CD-CE 3.51Å; K78-M725 HydrophobicContact CD-CG 4.28Å; K78-M725 HydrophobicContact CG-CE 3.51Å; K78-M725 VanDerWaalsContact O-CE 3.3Å; K78-M725 WeakPolarHBondContact O-CE 3.42Å |
| 79 | F | 92.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 116.3 | 165.1 | -68.5 | -62.2 | 0 | 0 | 0 | 111 | V5 F6 A9 R41 F42 W69 | V5-F79 HydrophobicContact CB-CD2 4.48Å; V5-F79 HydrophobicContact CB-CE2 4.29Å; V5-F79 WeakPolarHBondContact O-CE2 3.31Å; V5-F79 WeakPolarHBondContact O-CZ 3.5Å; F6-F79 AromaticContact CD1-CE1 3.86Å; F6-F79 HydrophobicContact CD1-CE1 3.86Å; F6-F79 HydrophobicContact CD1-CZ 4.45Å; F6-F79 HydrophobicContact CE1-CD1 4.16Å; F6-F79 AromaticContact CE1-CE1 3.69Å; F6-F79 HydrophobicContact CE1-CE1 3.69Å; F6-F79 HydrophobicContact CZ-CD1 4.41Å; F6-F79 HydrophobicContact CZ-CE1 4.31Å; A9-F79 HydrophobicContact CB-CZ 4.35Å; R41-F79 VanDerWaalsContact NE-CZ 3.31Å; F42-F79 HydrophobicContact CD1-CE1 4.47Å; F42-F79 HydrophobicContact CE1-CE1 4.02Å; W69-F79 AromaticContact CH2-CD1 3.57Å; W69-F79 HydrophobicContact CH2-CD1 3.57Å; W69-F79 AromaticContact CH2-CE1 3.99Å; W69-F79 HydrophobicContact CH2-CE1 3.99Å; W69-F79 HydrophobicContact CZ2-CB 4.41Å; W69-F79 AromaticContact CZ2-CD1 3.72Å; W69-F79 HydrophobicContact CZ2-CD1 3.72Å |
| 80 | L | 91.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 154.3 | 167.4 | -88.1 | 162.7 | 0 | 0 | 0 | 111.3 | W69 L72 S73 K78 F82 F85 M725 | W69-L80 HydrophobicContact CG-CB 4.48Å; W69-L80 PolarHBondContact NE1-O 3.47Å; L72-L80 HydrophobicContact CB-CD1 3.47Å; L72-L80 VanDerWaalsContact CB-CD1 3.47Å; L72-L80 HydrophobicContact CD1-CD1 4.27Å; S73-L80 WeakPolarHBondContact OG-CB 3.49Å; S73-L80 PolarHBondContact OG-N 2.92Å; K78-L80 PolarHBondContact O-N 3.48Å; L80-F82 PolarHBondContact O-N 3.38Å; L80-F85 HydrophobicContact CB-CE2 4.06Å; L80-F85 HydrophobicContact CD1-CE1 4.46Å; L80-F85 HydrophobicContact CD1-CE2 3.81Å; L80-F85 HydrophobicContact CD1-CZ 3.7Å; L80-F85 HydrophobicContact CD2-CE2 4.12Å; L80-F85 HydrophobicContact CD2-CZ 4.39Å; L80-F85 HydrophobicContact CG-CE2 4.22Å; L80-M725 HydrophobicContact CD1-CE 4.4Å; L80-M725 HydrophobicContact CD1-SD 3.95Å; L80-M725 HydrophobicContact CD2-CE 3.93Å; L80-M725 HydrophobicContact CD2-CG 4.13Å; L80-M725 HydrophobicContact CD2-SD 3.38Å; L80-M725 WeakPolarHBondContact CD2-SD 3.47Å; L80-M725 HydrophobicContact CG-CE 3.61Å; L80-M725 HydrophobicContact CG-SD 3.52Å; L80-M725 VanDerWaalsContact CG-SD 3.52Å |
| 81 | P | 91.8 | Very high | 92.2 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 133.9 | 164.2 | -21.3 | 33.5 | 0 | 0 | 0 | 110.1 | P84 F85 F718 | P81-P84 HydrophobicContact CB-CG 4.35Å; P81-P84 WeakPolarHBondContact O-CD 3.32Å; P81-F85 WeakPolarHBondContact O-CD2 3.42Å; P81-F718 HydrophobicContact CG-CZ 4.27Å |
| 82 | F | 94.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 28% | 0.281 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -71.7 | -48.8 | -173.8 | -53 | -69.6 | 0 | 0 | 0 | 113 | F42 P63 V65 W69 L80 P84 F85 H86 | F42-F82 HydrophobicContact CB-CE1 4.13Å; P63-F82 HydrophobicContact CB-CB 3.91Å; P63-F82 HydrophobicContact CB-CD1 4.2Å; P63-F82 HydrophobicContact CB-CD2 3.76Å; P63-F82 HydrophobicContact CB-CE2 4.29Å; P63-F82 HydrophobicContact CB-CG 3.71Å; P63-F82 HydrophobicContact CG-CD1 4.07Å; P63-F82 HydrophobicContact CG-CD2 3.71Å; P63-F82 HydrophobicContact CG-CE1 4.04Å; P63-F82 HydrophobicContact CG-CE2 3.71Å; P63-F82 HydrophobicContact CG-CG 3.9Å; P63-F82 HydrophobicContact CG-CZ 3.87Å; V65-F82 HydrophobicContact CG1-CB 3.83Å; V65-F82 HydrophobicContact CG1-CD1 3.78Å; V65-F82 HydrophobicContact CG1-CG 4.3Å; W69-F82 AromaticContact CE2-CD1 3.84Å; W69-F82 HydrophobicContact CH2-CE1 4.02Å; W69-F82 AromaticContact CZ2-CD1 3.71Å; W69-F82 HydrophobicContact CZ2-CD1 3.71Å; W69-F82 AromaticContact CZ2-CE1 3.41Å; W69-F82 HydrophobicContact CZ2-CE1 3.41Å; W69-F82 VanDerWaalsContact CZ2-CE1 3.41Å; W69-F82 AromaticContact NE1-CD1 3.82Å; L80-F82 PolarHBondContact O-N 3.38Å; F82-P84 VanDerWaalsContact C-CD 3.5Å; F82-F85 PolarHBondContact O-N 3.34Å; F82-H86 PolarHBondContact O-N 2.85Å |
| 83 | R | 92.3 | Very high | 92.6 | Very high | 187 Ų | 187 | 51.4 Ų | 51.4 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -49.1 | -44.4 | -171.9 | -177.8 | -173.9 | -65 | 158.7 | -0 | 115.3 | F85 H86 F89 | R83-F85 PolarHBondContact O-N 3.33Å; R83-H86 PolarHBondContact O-N 2.73Å; R83-F89 HydrophobicContact CG-CE2 4.48Å; R83-F89 WeakPolarHBondContact O-CD2 3.41Å |
| 84 | P | 90.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -59.7 | -10.2 | 176.1 | -27 | 37.7 | 0 | 0 | 0 | 116 | P81 F82 I117 | P81-P84 HydrophobicContact CB-CG 4.35Å; P81-P84 WeakPolarHBondContact O-CD 3.32Å; F82-P84 VanDerWaalsContact C-CD 3.5Å; P84-I117 HydrophobicContact CB-CD1 4.36Å; P84-I117 HydrophobicContact CB-CG1 4.29Å; P84-I117 HydrophobicContact CB-CG2 3.77Å |
| 85 | F | 93.3 | Very high | 92.7 | Very high | 23 Ų | 23 | 57 Ų | 57 | 10% | 0.101 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -127.3 | 13.2 | -176.1 | -56.4 | -89.8 | 0 | 0 | 0 | 112.9 | V65 T66 H68 W69 L72 L80 P81 F82 R83 | V65-F85 CarbonylContact C-O 3.42Å; V65-F85 WeakPolarHBondContact CA-O 3.36Å; V65-F85 HydrophobicContact CG1-CB 4.5Å; T66-F85 WeakPolarHBondContact CG2-O 3.47Å; T66-F85 PolarHBondContact N-O 2.96Å; T66-F85 PolarHBondContact OG1-O 2.99Å; T66-F85 VanDerWaalsContact OG1-O 3.04Å; H68-F85 AromaticContact CD2-CE1 3.84Å; W69-F85 HydrophobicContact CB-CB 3.66Å; W69-F85 HydrophobicContact CB-CD1 4.13Å; W69-F85 HydrophobicContact CB-CD2 4.37Å; W69-F85 HydrophobicContact CB-CG 3.8Å; W69-F85 AromaticContact CD1-CD2 3.61Å; W69-F85 AromaticContact CD1-CG 3.91Å; W69-F85 HydrophobicContact CG-CB 4.23Å; W69-F85 HydrophobicContact CG-CD2 4.38Å; W69-F85 HydrophobicContact CG-CG 4.28Å; L72-F85 HydrophobicContact CD1-CE1 3.79Å; L72-F85 HydrophobicContact CD1-CZ 4.03Å; L80-F85 HydrophobicContact CB-CE2 4.06Å; L80-F85 HydrophobicContact CD1-CE1 4.46Å; L80-F85 HydrophobicContact CD1-CE2 3.81Å; L80-F85 HydrophobicContact CD1-CZ 3.7Å; L80-F85 HydrophobicContact CD2-CE2 4.12Å; L80-F85 HydrophobicContact CD2-CZ 4.39Å; L80-F85 HydrophobicContact CG-CE2 4.22Å; P81-F85 WeakPolarHBondContact O-CD2 3.42Å; F82-F85 PolarHBondContact O-N 3.34Å; R83-F85 PolarHBondContact O-N 3.33Å |
| 86 | H | 95.1 | Very high | 93 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | trans | -60.2 | 141 | 168 | -176 | -98.2 | 0 | 0 | 0 | 109.3 | E57 F82 R83 D88 F89 | E57-H86 IonicContact OE1-CD2 2.77Å; E57-H86 IonicContact OE1-NE2 3.04Å; E57-H86 IonicContact OE2-CD2 3.05Å; E57-H86 IonicContact OE2-NE2 2.64Å; F82-H86 PolarHBondContact O-N 2.85Å; R83-H86 PolarHBondContact O-N 2.73Å; H86-D88 PolarHBondContact ND1-N 2.93Å; H86-D88 VanDerWaalsContact ND1-N 3.12Å; H86-D88 PolarHBondContact O-N 3.44Å; H86-F89 WeakPolarHBondContact O-CB 3.41Å; H86-F89 PolarHBondContact O-N 3.49Å | ||
| 87 | P | 93.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 53 Ų | 53 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.9 | -178.3 | 24.6 | -37.7 | 0 | 0 | 0 | 114.7 | P48 V53 V64 T66 | P48-P87 HydrophobicContact CB-CB 3.91Å; P48-P87 HydrophobicContact CB-CG 4.15Å; P48-P87 HydrophobicContact CG-CB 4.38Å; V53-P87 HydrophobicContact CG1-CG 4.41Å; V64-P87 HydrophobicContact CG1-CG 4.04Å; T66-P87 HydrophobicContact CG2-CB 4.21Å |
| 88 | D | 92.8 | Very high | 93.5 | Very high | 121 Ų | 121 | 48.6 Ų | 48.6 | 65% | 0.647 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 26.6 | 172.3 | -164.1 | 44.4 | 0 | 0 | 0 | 112.9 | P48 H86 K90 | P48-D88 HydrophobicContact CB-CB 3.85Å; H86-D88 PolarHBondContact ND1-N 2.93Å; H86-D88 VanDerWaalsContact ND1-N 3.12Å; H86-D88 PolarHBondContact O-N 3.44Å; D88-K90 PolarHBondContact O-N 3.38Å |
| 89 | F | 92.4 | Very high | 93.6 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | trans | -73.5 | 129.3 | 180 | -171.4 | -105.6 | 0 | 0 | 0 | 111.6 | R83 H86 H91 I117 H118 | R83-F89 HydrophobicContact CG-CE2 4.48Å; R83-F89 WeakPolarHBondContact O-CD2 3.41Å; H86-F89 WeakPolarHBondContact O-CB 3.41Å; H86-F89 PolarHBondContact O-N 3.49Å; F89-H91 PolarHBondContact O-CD2 3.24Å; F89-H91 PolarHBondContact O-N 3.23Å; F89-I117 HydrophobicContact CE1-CG2 3.54Å; F89-I117 WeakPolarHBondContact CE1-O 3.3Å; F89-I117 HydrophobicContact CZ-CG2 3.74Å; F89-H118 AromaticContact CE1-CE1 3.62Å; F89-H118 AromaticContact CE1-CG 3.94Å; F89-H118 AromaticContact CE1-ND1 3.45Å; F89-H118 WeakPolarHBondContact CE1-ND1 3.22Å; F89-H118 AromaticContact CZ-CE1 3.24Å; F89-H118 WeakPolarHBondContact CZ-CE1 3.44Å; F89-H118 AromaticContact CZ-ND1 3.61Å; F89-H118 AromaticContact CZ-NE2 3.7Å | ||
| 90 | K | 91.8 | Very high | 93.6 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | trans | -74.2 | 102.2 | -175.9 | -163.1 | -177.1 | 177.2 | -171.6 | 0 | 111.8 | D88 I92 H118 N179 N180 | D88-K90 PolarHBondContact O-N 3.38Å; K90-I92 VanDerWaalsContact C-N 3.25Å; K90-I92 HydrophobicContact CB-CG2 4.31Å; K90-I92 HydrophobicContact CD-CG2 3.68Å; K90-I92 HydrophobicContact CG-CG2 3.73Å; K90-I92 PolarHBondContact O-N 2.86Å; K90-H118 PolarHBondContact O-ND1 3.04Å; K90-N179 WeakPolarHBondContact CD-O 3.26Å; K90-N179 WeakPolarHBondContact CE-O 3.48Å; K90-N179 PolarHBondContact NZ-O 3.15Å; K90-N180 PolarHBondContact NZ-OD1 3.16Å | ||
| 91 | H | 92.3 | Very high | 93.6 | Very high | 98 Ų | 98 | 46.5 Ų | 46.5 | 45% | 0.454 | 26% | 0.255 | S | S | . | . | trans | -73.8 | 70.7 | 172.7 | -64.4 | -75.1 | 0 | 0 | 0 | 112.2 | F89 F93 A94 H118 G119 | F89-H91 PolarHBondContact O-CD2 3.24Å; F89-H91 PolarHBondContact O-N 3.23Å; H91-F93 PolarHBondContact O-N 3.33Å; H91-F93 VanDerWaalsContact O-N 3.17Å; H91-A94 HydrophobicContact CB-CB 4.16Å; H91-A94 VanDerWaalsContact O-CB 3.31Å; H91-A94 WeakPolarHBondContact O-CB 3.44Å; H91-A94 PolarHBondContact O-N 3.12Å; H91-A94 VanDerWaalsContact O-N 3.14Å; H91-H118 CarbonylContact C-O 3.5Å; H91-H118 WeakPolarHBondContact CA-O 3.4Å; H91-G119 WeakPolarHBondContact ND1-CA 3.47Å; H91-G119 PolarHBondContact ND1-N 3.14Å | ||
| 92 | I | 95.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.6 | -175.6 | 63.4 | 167.3 | 0 | 0 | 0 | 114.6 | K90 H118 C175 L176 N179 L181 | K90-I92 VanDerWaalsContact C-N 3.25Å; K90-I92 HydrophobicContact CB-CG2 4.31Å; K90-I92 HydrophobicContact CD-CG2 3.68Å; K90-I92 HydrophobicContact CG-CG2 3.73Å; K90-I92 PolarHBondContact O-N 2.86Å; I92-H118 HydrophobicContact CG1-CB 3.73Å; I92-H118 PolarHBondContact N-O 2.7Å; I92-C175 HydrophobicContact CD1-CB 4.08Å; I92-C175 VanDerWaalsContact CD1-O 3.22Å; I92-C175 WeakPolarHBondContact CD1-O 3.47Å; I92-L176 HydrophobicContact CD1-CD2 4.26Å; I92-N179 WeakPolarHBondContact CG2-O 3.27Å; I92-N179 WeakPolarHBondContact CG2-OD1 3.13Å; I92-L181 WeakPolarHBondContact O-CB 3.46Å |
| 93 | F | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 11.2 | 179.2 | -66 | -53.7 | 0 | 0 | 0 | 112.9 | H91 G95 T96 V115 H118 G120 W171 I172 C175 L176 L181 | H91-F93 PolarHBondContact O-N 3.33Å; H91-F93 VanDerWaalsContact O-N 3.17Å; F93-G95 PolarHBondContact O-N 3.01Å; F93-T96 WeakPolarHBondContact CB-OG1 3.31Å; F93-T96 WeakPolarHBondContact O-CB 3.35Å; F93-T96 WeakPolarHBondContact O-CG2 3.48Å; F93-T96 PolarHBondContact O-N 3.04Å; F93-T96 PolarHBondContact O-OG1 3.1Å; F93-V115 HydrophobicContact CD2-CG2 4.35Å; F93-V115 HydrophobicContact CE2-CG2 4.46Å; F93-H118 HydrophobicContact CD2-CB 3.7Å; F93-H118 HydrophobicContact CE2-CB 4.39Å; F93-H118 HydrophobicContact CG-CB 4.47Å; F93-H118 PolarHBondContact N-O 3.44Å; F93-G120 WeakPolarHBondContact O-CA 3.28Å; F93-W171 HydrophobicContact CD1-CH2 4.09Å; F93-W171 HydrophobicContact CD1-CZ3 4.47Å; F93-W171 AromaticContact CE1-CH2 3.93Å; F93-W171 HydrophobicContact CE1-CH2 3.93Å; F93-W171 HydrophobicContact CE1-CZ2 4.43Å; F93-W171 HydrophobicContact CE1-CZ3 4.05Å; F93-I172 HydrophobicContact CE2-CG2 4.12Å; F93-I172 HydrophobicContact CZ-CB 4.36Å; F93-I172 HydrophobicContact CZ-CG1 4.46Å; F93-I172 HydrophobicContact CZ-CG2 3.91Å; F93-C175 HydrophobicContact CE1-CB 3.61Å; F93-C175 HydrophobicContact CZ-CB 3.57Å; F93-L176 HydrophobicContact CE2-CD2 4.2Å; F93-L176 HydrophobicContact CE2-CG 4.34Å; F93-L181 HydrophobicContact CD1-CD1 3.84Å; F93-L181 HydrophobicContact CE1-CD1 4.19Å |
| 94 | A | 94.5 | Very high | 93.1 | Very high | 62 Ų | 62 | 39 Ų | 39 | 51% | 0.512 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 129.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | H91 T96 G119 | H91-A94 HydrophobicContact CB-CB 4.16Å; H91-A94 VanDerWaalsContact O-CB 3.31Å; H91-A94 WeakPolarHBondContact O-CB 3.44Å; H91-A94 PolarHBondContact O-N 3.12Å; H91-A94 VanDerWaalsContact O-N 3.14Å; A94-T96 VanDerWaalsContact C-N 3.28Å; A94-T96 PolarHBondContact O-N 2.83Å; A94-G119 WeakPolarHBondContact CA-O 3.38Å |
| 95 | G | 94.3 | Very high | 93.1 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 75% | 0.753 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -0.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F93 | F93-G95 PolarHBondContact O-N 3.01Š|
| 96 | T | 95.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | trans | -87.7 | 144.2 | 169 | 71.8 | 0 | 0 | 0 | 0 | 111 | F93 A94 Q121 T131 L181 | F93-T96 WeakPolarHBondContact CB-OG1 3.31Å; F93-T96 WeakPolarHBondContact O-CB 3.35Å; F93-T96 WeakPolarHBondContact O-CG2 3.48Å; F93-T96 PolarHBondContact O-N 3.04Å; F93-T96 PolarHBondContact O-OG1 3.1Å; A94-T96 VanDerWaalsContact C-N 3.28Å; A94-T96 PolarHBondContact O-N 2.83Å; T96-Q121 PolarHBondContact O-N 3.14Å; T96-T131 WeakPolarHBondContact CA-OG1 3.49Å; T96-L181 HydrophobicContact CG2-CD1 4.25Å | ||
| 97 | V | 96.3 | Very high | 93.1 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116.7 | 170.8 | -176.2 | 0 | 0 | 0 | 0 | 106.1 | Q121 C123 S129 V130 T131 H132 | V97-Q121 WeakPolarHBondContact CA-O 3.16Å; V97-Q121 HydrophobicContact CG1-CB 4.46Å; V97-Q121 HydrophobicContact CG2-CB 4.23Å; V97-C123 HydrophobicContact CG1-CB 4.09Å; V97-S129 VanDerWaalsContact CB-O 3.26Å; V97-S129 WeakPolarHBondContact CB-O 3.35Å; V97-S129 WeakPolarHBondContact CG2-O 3.22Å; V97-V130 HydrophobicContact CG1-CG2 4.37Å; V97-T131 PolarHBondContact N-OG1 3.15Å; V97-T131 PolarHBondContact O-N 3.08Å; V97-T131 PolarHBondContact O-OG1 3.37Å; V97-H132 PolarHBondContact O-N 3.05Å |
| 98 | I | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.7 | -163.8 | -54.5 | -166.5 | 0 | 0 | 0 | 110.3 | V115 Q121 M122 C123 H132 V134 W171 I172 | I98-V115 HydrophobicContact CB-CG1 4.39Å; I98-V115 HydrophobicContact CD1-CB 4.46Å; I98-V115 HydrophobicContact CD1-CG1 3.77Å; I98-V115 HydrophobicContact CD1-CG2 3.77Å; I98-V115 HydrophobicContact CG1-CG1 4.13Å; I98-Q121 PolarHBondContact N-O 2.83Å; I98-M122 HydrophobicContact CB-SD 3.67Å; I98-M122 HydrophobicContact CG2-SD 3.87Å; I98-M122 CarbonylContact O-C 3.59Å; I98-M122 VanDerWaalsContact O-CA 3.22Å; I98-M122 WeakPolarHBondContact O-CA 3.32Å; I98-C123 PolarHBondContact O-N 3.25Å; I98-H132 WeakPolarHBondContact CA-O 3.17Å; I98-H132 HydrophobicContact CG1-CB 4.16Å; I98-V134 HydrophobicContact CG2-CG2 3.52Å; I98-W171 HydrophobicContact CD1-CH2 4.32Å; I98-W171 HydrophobicContact CD1-CZ3 3.85Å; I98-I172 HydrophobicContact CD1-CD1 4.47Å |
| 99 | T | 94.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 154.6 | 167.6 | -163.7 | 0 | 0 | 0 | 0 | 110.7 | C123 L126 V130 H132 V133 V134 F142 | T99-C123 WeakPolarHBondContact CA-O 3.5Å; T99-C123 VanDerWaalsContact CB-O 3.23Å; T99-C123 WeakPolarHBondContact CB-O 3.25Å; T99-C123 PolarHBondContact OG1-O 3.25Å; T99-L126 HydrophobicContact CG2-CD1 4.3Å; T99-V130 HydrophobicContact CG2-CG1 3.85Å; T99-V130 HydrophobicContact CG2-CG2 4.39Å; T99-H132 PolarHBondContact N-O 3.24Å; T99-V133 HydrophobicContact CG2-CB 4.31Å; T99-V133 HydrophobicContact CG2-CG1 4.25Å; T99-V133 HydrophobicContact CG2-CG2 3.9Å; T99-V134 PolarHBondContact O-N 3.34Å; T99-F142 HydrophobicContact CG2-CZ 4.25Å |
| 100 | C | 92.6 | Very high | 93.2 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140 | -176.2 | -68.9 | 0 | 0 | 0 | 0 | 111 | L103 Q108 V134 | C100-L103 HydrophobicContact CB-CD1 4.02Å; C100-Q108 HydrophobicContact CB-CG 4.39Å; C100-V134 WeakPolarHBondContact CA-O 3.48Å |
| 101 | S | 90.2 | Very high | 93.4 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 149.6 | 176.4 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | L103 V134 F142 | S101-L103 VanDerWaalsContact C-N 3.25Å; S101-L103 PolarHBondContact O-N 3.45Å; S101-V134 PolarHBondContact N-O 3.07Å; S101-F142 WeakPolarHBondContact OG-CD1 3.44Å; S101-F142 WeakPolarHBondContact OG-CG 3.48Å |
| 102 | G | 85.1 | Confident | 93.5 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 73% | 0.732 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 67.9 | 19.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 103 | L | 90.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -107.1 | 156.6 | 177.6 | -50.4 | -173.4 | 0 | 0 | 0 | 110.7 | C100 S101 D107 Q108 I111 V134 A136 P169 | C100-L103 HydrophobicContact CB-CD1 4.02Å; S101-L103 VanDerWaalsContact C-N 3.25Å; S101-L103 PolarHBondContact O-N 3.45Å; L103-D107 HydrophobicContact CB-CB 4.11Å; L103-Q108 HydrophobicContact CB-CG 3.85Å; L103-Q108 PolarHBondContact O-NE2 3.08Å; L103-I111 HydrophobicContact CD1-CD1 3.44Å; L103-I111 VanDerWaalsContact CD1-CD1 3.44Å; L103-V134 HydrophobicContact CD1-CG1 4.16Å; L103-A136 HydrophobicContact CD2-CB 3.46Å; L103-A136 VanDerWaalsContact CD2-CB 3.46Å; L103-P169 HydrophobicContact CD1-CG 4.26Å; L103-P169 HydrophobicContact CD2-CG 3.76Å |
| 104 | S | 92.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 39% | 0.385 | 25% | 0.25 | S | C | . | . | trans | -68.8 | 156.9 | 174.1 | 81 | 0 | 0 | 0 | 0 | 111.2 | A106 D107 Q108 | S104-A106 PolarHBondContact O-N 3.08Å; S104-A106 PolarHBondContact OG-N 2.84Å; S104-D107 VanDerWaalsContact CB-OD2 3.24Å; S104-D107 WeakPolarHBondContact CB-OD2 3.12Å; S104-D107 PolarHBondContact N-OD2 3.09Å; S104-D107 PolarHBondContact O-N 3.2Å; S104-D107 PolarHBondContact OG-N 3.31Å; S104-D107 PolarHBondContact OG-OD2 3.07Å; S104-Q108 WeakPolarHBondContact O-CG 3.27Å; S104-Q108 PolarHBondContact O-N 3.03Å | ||
| 105 | V | 91.7 | Very high | 93.2 | Very high | 101 Ų | 101 | 33.4 Ų | 33.4 | 61% | 0.612 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -56.3 | -34.7 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | L109 | V105-L109 HydrophobicContact CG1-CD1 3.96Å; V105-L109 HydrophobicContact CG1-CG 4.34Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.36Å; V105-L109 PolarHBondContact O-N 3.1Å |
| 106 | A | 93.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S104 S110 H719 | S104-A106 PolarHBondContact O-N 3.08Å; S104-A106 PolarHBondContact OG-N 2.84Å; A106-S110 VanDerWaalsContact O-CB 3.26Å; A106-S110 WeakPolarHBondContact O-CB 3.19Å; A106-S110 PolarHBondContact O-N 3.1Å; A106-H719 VanDerWaalsContact CA-CE1 3.49Å; A106-H719 WeakPolarHBondContact CA-CE1 3.43Å; A106-H719 PolarHBondContact O-CE1 3.05Å |
| 107 | D | 94.5 | Very high | 92.8 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -43.5 | 176.5 | -56.4 | -52.7 | 0 | 0 | 0 | 111.4 | L103 S104 S110 I111 I713 | L103-D107 HydrophobicContact CB-CB 4.11Å; S104-D107 VanDerWaalsContact CB-OD2 3.24Å; S104-D107 WeakPolarHBondContact CB-OD2 3.12Å; S104-D107 PolarHBondContact N-OD2 3.09Å; S104-D107 PolarHBondContact O-N 3.2Å; S104-D107 PolarHBondContact OG-N 3.31Å; S104-D107 PolarHBondContact OG-OD2 3.07Å; D107-S110 WeakPolarHBondContact O-CB 3.47Å; D107-S110 PolarHBondContact O-N 3.22Å; D107-I111 WeakPolarHBondContact O-CB 3.26Å; D107-I111 WeakPolarHBondContact O-CG1 3.23Å; D107-I111 PolarHBondContact O-N 3.04Å; D107-I713 WeakPolarHBondContact OD1-CG2 3.34Å |
| 108 | Q | 93.7 | Very high | 92.6 | Very high | 73 Ų | 73 | 34.1 Ų | 34.1 | 34% | 0.341 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.3 | -49.6 | 178.3 | -69.4 | -178.3 | 46.6 | 0 | 0 | 111.1 | C100 L103 S104 S110 I111 W112 | C100-Q108 HydrophobicContact CB-CG 4.39Å; L103-Q108 HydrophobicContact CB-CG 3.85Å; L103-Q108 PolarHBondContact O-NE2 3.08Å; S104-Q108 WeakPolarHBondContact O-CG 3.27Å; S104-Q108 PolarHBondContact O-N 3.03Å; Q108-S110 VanDerWaalsContact C-N 3.3Å; Q108-S110 PolarHBondContact O-N 3.27Å; Q108-I111 PolarHBondContact O-N 3.05Å; Q108-W112 WeakPolarHBondContact O-CB 3.46Å; Q108-W112 PolarHBondContact O-N 3.42Å |
| 109 | L | 93.6 | Very high | 92.5 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -33.4 | 176.7 | -69.5 | 173.8 | 0 | 0 | 0 | 112.4 | V105 W112 A113 Q723 L728 | V105-L109 HydrophobicContact CG1-CD1 3.96Å; V105-L109 HydrophobicContact CG1-CG 4.34Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.36Å; V105-L109 PolarHBondContact O-N 3.1Å; L109-W112 HydrophobicContact CD2-CE3 4.09Å; L109-A113 WeakPolarHBondContact O-CB 3.42Å; L109-A113 PolarHBondContact O-N 3.24Å; L109-Q723 HydrophobicContact CD1-CG 4.21Å; L109-L728 HydrophobicContact CD2-CD2 4.12Å |
| 110 | S | 93.9 | Very high | 92.5 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.2 | -46.1 | 176.8 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | A106 D107 Q108 H114 I716 | A106-S110 VanDerWaalsContact O-CB 3.26Å; A106-S110 WeakPolarHBondContact O-CB 3.19Å; A106-S110 PolarHBondContact O-N 3.1Å; D107-S110 WeakPolarHBondContact O-CB 3.47Å; D107-S110 PolarHBondContact O-N 3.22Å; Q108-S110 VanDerWaalsContact C-N 3.3Å; Q108-S110 PolarHBondContact O-N 3.27Å; S110-H114 PolarHBondContact O-CD2 2.85Å; S110-H114 VanDerWaalsContact O-CD2 3.27Å; S110-H114 PolarHBondContact O-N 2.75Å; S110-H114 VanDerWaalsContact O-N 3.1Å; S110-I716 WeakPolarHBondContact OG-CD1 3.46Å; S110-I716 VanDerWaalsContact OG-CG2 3.27Å; S110-I716 WeakPolarHBondContact OG-CG2 3.42Å |
| 111 | I | 95.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 173.7 | -74 | 164.1 | 0 | 0 | 0 | 110.1 | L103 D107 Q108 A113 H114 V115 M122 V134 P169 I172 | L103-I111 HydrophobicContact CD1-CD1 3.44Å; L103-I111 VanDerWaalsContact CD1-CD1 3.44Å; D107-I111 WeakPolarHBondContact O-CB 3.26Å; D107-I111 WeakPolarHBondContact O-CG1 3.23Å; D107-I111 PolarHBondContact O-N 3.04Å; Q108-I111 PolarHBondContact O-N 3.05Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 3Å; I111-H114 PolarHBondContact O-N 2.92Å; I111-H114 VanDerWaalsContact O-N 3.14Å; I111-V115 HydrophobicContact CG2-CG2 3.93Å; I111-V115 WeakPolarHBondContact O-CB 3.48Å; I111-V115 VanDerWaalsContact O-CG2 3.29Å; I111-V115 WeakPolarHBondContact O-CG2 3.34Å; I111-V115 PolarHBondContact O-N 3.39Å; I111-M122 HydrophobicContact CG2-CE 4.22Å; I111-M122 HydrophobicContact CG2-SD 4.2Å; I111-V134 HydrophobicContact CD1-CG1 4.41Å; I111-P169 HydrophobicContact CD1-CB 4.44Å; I111-I172 HydrophobicContact CG1-CD1 4.33Å; I111-I172 HydrophobicContact CG2-CD1 3.5Å |
| 112 | W | 94.4 | Very high | 92.9 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 16% | 0.163 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -51.7 | -51.5 | 178.2 | -170.7 | 60.1 | 0 | 0 | 0 | 111.4 | Q108 L109 T116 M122 L726 L728 | Q108-W112 WeakPolarHBondContact O-CB 3.46Å; Q108-W112 PolarHBondContact O-N 3.42Å; L109-W112 HydrophobicContact CD2-CE3 4.09Å; W112-T116 WeakPolarHBondContact O-CB 3.22Å; W112-T116 PolarHBondContact O-N 3.14Å; W112-T116 PolarHBondContact O-OG1 3.07Å; W112-M122 HydrophobicContact CB-CE 4.15Å; W112-M122 VanDerWaalsContact CD1-CG 3.48Å; W112-M122 HydrophobicContact CG-CE 4.46Å; W112-M122 HydrophobicContact CG-CG 4.44Å; W112-L726 HydrophobicContact CD2-CD1 4.46Å; W112-L726 HydrophobicContact CE3-CD1 3.66Å; W112-L726 HydrophobicContact CH2-CB 3.66Å; W112-L726 HydrophobicContact CH2-CD1 3.92Å; W112-L726 HydrophobicContact CH2-CD2 4.37Å; W112-L726 HydrophobicContact CH2-CG 4.17Å; W112-L726 HydrophobicContact CZ3-CB 3.57Å; W112-L726 HydrophobicContact CZ3-CD1 3.37Å; W112-L726 HydrophobicContact CZ3-CG 3.99Å; W112-L728 HydrophobicContact CZ3-CD2 4.19Å |
| 113 | A | 91.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L109 I111 I117 | L109-A113 WeakPolarHBondContact O-CB 3.42Å; L109-A113 PolarHBondContact O-N 3.24Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 3Å; A113-I117 VanDerWaalsContact O-CB 3.27Å; A113-I117 WeakPolarHBondContact O-CB 3.19Å; A113-I117 WeakPolarHBondContact O-CD1 3.46Å; A113-I117 VanDerWaalsContact O-CG1 3.23Å; A113-I117 WeakPolarHBondContact O-CG1 3.38Å; A113-I117 PolarHBondContact O-N 2.66Å |
| 114 | H | 93.3 | Very high | 93 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 20% | 0.204 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.9 | -87.2 | -71.8 | 0 | 0 | 0 | 113 | S110 I111 H118 L176 | S110-H114 PolarHBondContact O-CD2 2.85Å; S110-H114 VanDerWaalsContact O-CD2 3.27Å; S110-H114 PolarHBondContact O-N 2.75Å; S110-H114 VanDerWaalsContact O-N 3.1Å; I111-H114 PolarHBondContact O-N 2.92Å; I111-H114 VanDerWaalsContact O-N 3.14Å; H114-H118 PolarHBondContact O-CD2 3.32Å; H114-H118 PolarHBondContact O-N 2.81Å; H114-H118 VanDerWaalsContact O-N 3.09Å; H114-L176 HydrophobicContact CB-CD1 3.99Å; H114-L176 HydrophobicContact CB-CD2 4.42Å |
| 115 | V | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | 179.3 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | F93 I98 I111 I117 H118 G119 G120 M122 I172 | F93-V115 HydrophobicContact CD2-CG2 4.35Å; F93-V115 HydrophobicContact CE2-CG2 4.46Å; I98-V115 HydrophobicContact CB-CG1 4.39Å; I98-V115 HydrophobicContact CD1-CB 4.46Å; I98-V115 HydrophobicContact CD1-CG1 3.77Å; I98-V115 HydrophobicContact CD1-CG2 3.77Å; I98-V115 HydrophobicContact CG1-CG1 4.13Å; I111-V115 HydrophobicContact CG2-CG2 3.93Å; I111-V115 WeakPolarHBondContact O-CB 3.48Å; I111-V115 VanDerWaalsContact O-CG2 3.29Å; I111-V115 WeakPolarHBondContact O-CG2 3.34Å; I111-V115 PolarHBondContact O-N 3.39Å; V115-I117 PolarHBondContact O-N 3.1Å; V115-H118 CarbonylContact O-C 3.6Å; V115-H118 PolarHBondContact O-N 2.97Å; V115-G119 PolarHBondContact O-N 3.37Å; V115-G120 PolarHBondContact O-N 3.34Å; V115-M122 HydrophobicContact CB-CG 3.93Å; V115-M122 HydrophobicContact CB-SD 3.81Å; V115-M122 HydrophobicContact CG1-CG 3.68Å; V115-M122 HydrophobicContact CG1-SD 3.81Å; V115-M122 HydrophobicContact CG2-SD 3.94Å; V115-I172 HydrophobicContact CG2-CD1 3.95Å |
| 116 | T | 92 | Very high | 92.4 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 178.5 | -58 | 0 | 0 | 0 | 0 | 112.4 | W112 H118 G119 G120 | W112-T116 WeakPolarHBondContact O-CB 3.22Å; W112-T116 PolarHBondContact O-N 3.14Å; W112-T116 PolarHBondContact O-OG1 3.07Å; T116-H118 VanDerWaalsContact C-N 3.3Å; T116-H118 PolarHBondContact O-N 3.22Å; T116-G119 PolarHBondContact O-N 3.09Å; T116-G119 VanDerWaalsContact O-N 3.09Å; T116-G120 WeakPolarHBondContact CA-O 3.49Å |
| 117 | I | 89.8 | Confident | 92 | Very high | 27 Ų | 27 | 45 Ų | 45 | 14% | 0.138 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.1 | -45.4 | 175.2 | -81.3 | 167.9 | 0 | 0 | 0 | 111.3 | P84 F89 A113 V115 G119 | P84-I117 HydrophobicContact CB-CD1 4.36Å; P84-I117 HydrophobicContact CB-CG1 4.29Å; P84-I117 HydrophobicContact CB-CG2 3.77Å; F89-I117 HydrophobicContact CE1-CG2 3.54Å; F89-I117 WeakPolarHBondContact CE1-O 3.3Å; F89-I117 HydrophobicContact CZ-CG2 3.74Å; A113-I117 VanDerWaalsContact O-CB 3.27Å; A113-I117 WeakPolarHBondContact O-CB 3.19Å; A113-I117 WeakPolarHBondContact O-CD1 3.46Å; A113-I117 VanDerWaalsContact O-CG1 3.23Å; A113-I117 WeakPolarHBondContact O-CG1 3.38Å; A113-I117 PolarHBondContact O-N 2.66Å; V115-I117 PolarHBondContact O-N 3.1Å; I117-G119 PolarHBondContact O-N 3.09Å |
| 118 | H | 93.2 | Very high | 91.6 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 24.5 | 179.7 | -73.3 | -82.3 | 0 | 0 | 0 | 113.6 | F89 K90 H91 I92 F93 H114 V115 T116 G120 L176 | F89-H118 AromaticContact CE1-CE1 3.62Å; F89-H118 AromaticContact CE1-CG 3.94Å; F89-H118 AromaticContact CE1-ND1 3.45Å; F89-H118 WeakPolarHBondContact CE1-ND1 3.22Å; F89-H118 AromaticContact CZ-CE1 3.24Å; F89-H118 WeakPolarHBondContact CZ-CE1 3.44Å; F89-H118 AromaticContact CZ-ND1 3.61Å; F89-H118 AromaticContact CZ-NE2 3.7Å; K90-H118 PolarHBondContact O-ND1 3.04Å; H91-H118 CarbonylContact C-O 3.5Å; H91-H118 WeakPolarHBondContact CA-O 3.4Å; I92-H118 HydrophobicContact CG1-CB 3.73Å; I92-H118 PolarHBondContact N-O 2.7Å; F93-H118 HydrophobicContact CD2-CB 3.7Å; F93-H118 HydrophobicContact CE2-CB 4.39Å; F93-H118 HydrophobicContact CG-CB 4.47Å; F93-H118 PolarHBondContact N-O 3.44Å; H114-H118 PolarHBondContact O-CD2 3.32Å; H114-H118 PolarHBondContact O-N 2.81Å; H114-H118 VanDerWaalsContact O-N 3.09Å; V115-H118 CarbonylContact O-C 3.6Å; V115-H118 PolarHBondContact O-N 2.97Å; T116-H118 VanDerWaalsContact C-N 3.3Å; T116-H118 PolarHBondContact O-N 3.22Å; H118-G120 VanDerWaalsContact C-N 3.31Å; H118-G120 PolarHBondContact O-N 2.89Å; H118-L176 WeakPolarHBondContact CD2-CD2 3.19Å; H118-L176 WeakPolarHBondContact NE2-CD2 3.43Å |
| 119 | G | 92 | Very high | 91.4 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 8.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | H91 A94 V115 T116 I117 | H91-G119 WeakPolarHBondContact ND1-CA 3.47Å; H91-G119 PolarHBondContact ND1-N 3.14Å; A94-G119 WeakPolarHBondContact CA-O 3.38Å; V115-G119 PolarHBondContact O-N 3.37Å; T116-G119 PolarHBondContact O-N 3.09Å; T116-G119 VanDerWaalsContact O-N 3.09Å; I117-G119 PolarHBondContact O-N 3.09Å |
| 120 | G | 95.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | trans | -82.1 | 154.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F93 V115 T116 H118 | F93-G120 WeakPolarHBondContact O-CA 3.28Å; V115-G120 PolarHBondContact O-N 3.34Å; T116-G120 WeakPolarHBondContact CA-O 3.49Å; H118-G120 VanDerWaalsContact C-N 3.31Å; H118-G120 PolarHBondContact O-N 2.89Å | ||
| 121 | Q | 95.4 | Very high | 91.4 | Very high | 133 Ų | 133 | 50.3 Ų | 50.3 | 62% | 0.621 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 159.5 | 172.6 | -63.7 | -176.1 | -4 | 0 | 0 | 110.5 | T96 V97 I98 | T96-Q121 PolarHBondContact O-N 3.14Å; V97-Q121 WeakPolarHBondContact CA-O 3.16Å; V97-Q121 HydrophobicContact CG1-CB 4.46Å; V97-Q121 HydrophobicContact CG2-CB 4.23Å; I98-Q121 PolarHBondContact N-O 2.83Å |
| 122 | M | 94.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.7 | -177.2 | -74 | -82.7 | -50.2 | 0 | 0 | 110 | I98 I111 W112 V115 | I98-M122 HydrophobicContact CB-SD 3.67Å; I98-M122 HydrophobicContact CG2-SD 3.87Å; I98-M122 CarbonylContact O-C 3.59Å; I98-M122 VanDerWaalsContact O-CA 3.22Å; I98-M122 WeakPolarHBondContact O-CA 3.32Å; I111-M122 HydrophobicContact CG2-CE 4.22Å; I111-M122 HydrophobicContact CG2-SD 4.2Å; W112-M122 HydrophobicContact CB-CE 4.15Å; W112-M122 VanDerWaalsContact CD1-CG 3.48Å; W112-M122 HydrophobicContact CG-CE 4.46Å; W112-M122 HydrophobicContact CG-CG 4.44Å; V115-M122 HydrophobicContact CB-CG 3.93Å; V115-M122 HydrophobicContact CB-SD 3.81Å; V115-M122 HydrophobicContact CG1-CG 3.68Å; V115-M122 HydrophobicContact CG1-SD 3.81Å; V115-M122 HydrophobicContact CG2-SD 3.94Å |
| 123 | C | 91.2 | Very high | 91.4 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 9% | 0.088 | 25% | 0.248 | C | C | . | . | trans | -122.7 | 134.2 | -177.5 | -162.4 | 0 | 0 | 0 | 0 | 111.8 | V97 I98 T99 Y125 V130 | V97-C123 HydrophobicContact CG1-CB 4.09Å; I98-C123 PolarHBondContact O-N 3.25Å; T99-C123 WeakPolarHBondContact CA-O 3.5Å; T99-C123 VanDerWaalsContact CB-O 3.23Å; T99-C123 WeakPolarHBondContact CB-O 3.25Å; T99-C123 PolarHBondContact OG1-O 3.25Å; C123-Y125 VanDerWaalsContact SG-CE1 3.57Å; C123-Y125 VanDerWaalsContact SG-CZ 3.59Å; C123-Y125 PolarHBondContact SG-O 3.36Å; C123-V130 HydrophobicContact CB-CG2 3.89Å | ||
| 124 | H | 86.8 | Confident | 91.5 | Very high | 115 Ų | 115 | 47.9 Ų | 47.9 | 53% | 0.532 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -82.5 | -14.9 | 179.1 | -61.9 | -68.1 | 0 | 0 | 0 | 113.5 | ||
| 125 | Y | 85.6 | Confident | 91.5 | Very high | 141 Ų | 141 | 46.1 Ų | 46.1 | 55% | 0.553 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -121.4 | 166.6 | 177.4 | 55 | -87.9 | 0 | 0 | 0 | 110 | C123 D127 | C123-Y125 VanDerWaalsContact SG-CE1 3.57Å; C123-Y125 VanDerWaalsContact SG-CZ 3.59Å; C123-Y125 PolarHBondContact SG-O 3.36Å; Y125-D127 HydrophobicContact CD2-CB 3.9Å; Y125-D127 HydrophobicContact CE2-CB 3.81Å; Y125-D127 WeakPolarHBondContact CE2-OD2 3.32Å |
| 126 | L | 85.9 | Confident | 91.3 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | trans | -106.2 | 105.1 | -179.4 | -178 | 58.3 | 0 | 0 | 0 | 109.3 | T99 V130 V133 F142 Y145 C146 L150 | T99-L126 HydrophobicContact CG2-CD1 4.3Å; L126-V130 HydrophobicContact CD1-CB 4.05Å; L126-V130 HydrophobicContact CD1-CG1 3.87Å; L126-V130 HydrophobicContact CD1-CG2 4.31Å; L126-V133 HydrophobicContact CD1-CG2 4Å; L126-F142 HydrophobicContact CD2-CE2 4.32Å; L126-F142 HydrophobicContact CD2-CZ 4.42Å; L126-Y145 HydrophobicContact CD2-CD1 3.84Å; L126-Y145 HydrophobicContact CD2-CE1 3.79Å; L126-C146 VanDerWaalsContact CD2-SG 3.51Å; L126-L150 HydrophobicContact CD1-CD1 4.1Å; L126-L150 HydrophobicContact CD2-CD1 3.9Å; L126-L150 HydrophobicContact CG-CD1 4.24Å | ||
| 127 | D | 85 | Confident | 91.2 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | -124 | -168.6 | 178.8 | 72.7 | -8.3 | 0 | 0 | 0 | 111.5 | Y125 S129 V130 | Y125-D127 HydrophobicContact CD2-CB 3.9Å; Y125-D127 HydrophobicContact CE2-CB 3.81Å; Y125-D127 WeakPolarHBondContact CE2-OD2 3.32Å; D127-S129 VanDerWaalsContact C-N 3.27Å; D127-S129 VanDerWaalsContact CG-OG 3.24Å; D127-S129 PolarHBondContact O-N 3.23Å; D127-S129 WeakPolarHBondContact OD1-CA 3.25Å; D127-S129 WeakPolarHBondContact OD1-CB 3.17Å; D127-S129 PolarHBondContact OD1-N 3.49Å; D127-S129 PolarHBondContact OD1-OG 3.49Å; D127-S129 PolarHBondContact OD2-OG 2.95Å; D127-V130 PolarHBondContact OD1-N 3.29Å | ||
| 128 | K | 86.4 | Confident | 91.1 | Very high | 163 Ų | 163 | 52.6 Ų | 52.6 | 71% | 0.709 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -75.2 | -8.2 | 175.2 | -62.7 | -169.6 | 175.8 | -166.9 | 0 | 114.2 | ||
| 129 | S | 89.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -88.2 | -31.1 | 178.5 | 79.3 | 0 | 0 | 0 | 0 | 112.2 | V97 D127 T131 | V97-S129 VanDerWaalsContact CB-O 3.26Å; V97-S129 WeakPolarHBondContact CB-O 3.35Å; V97-S129 WeakPolarHBondContact CG2-O 3.22Å; D127-S129 VanDerWaalsContact C-N 3.27Å; D127-S129 VanDerWaalsContact CG-OG 3.24Å; D127-S129 PolarHBondContact O-N 3.23Å; D127-S129 WeakPolarHBondContact OD1-CA 3.25Å; D127-S129 WeakPolarHBondContact OD1-CB 3.17Å; D127-S129 PolarHBondContact OD1-N 3.49Å; D127-S129 PolarHBondContact OD1-OG 3.49Å; D127-S129 PolarHBondContact OD2-OG 2.95Å; S129-T131 PolarHBondContact O-N 3.31Å |
| 130 | V | 92.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | trans | -55.2 | 121.1 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | V97 T99 C123 L126 D127 H132 V133 P164 | V97-V130 HydrophobicContact CG1-CG2 4.37Å; T99-V130 HydrophobicContact CG2-CG1 3.85Å; T99-V130 HydrophobicContact CG2-CG2 4.39Å; C123-V130 HydrophobicContact CB-CG2 3.89Å; L126-V130 HydrophobicContact CD1-CB 4.05Å; L126-V130 HydrophobicContact CD1-CG1 3.87Å; L126-V130 HydrophobicContact CD1-CG2 4.31Å; D127-V130 PolarHBondContact OD1-N 3.29Å; V130-H132 WeakPolarHBondContact CG1-O 3.44Å; V130-V133 HydrophobicContact CG1-CG2 3.94Å; V130-P164 HydrophobicContact CG1-CB 4.33Å; V130-P164 WeakPolarHBondContact O-CB 3.47Å | ||
| 131 | T | 94 | Very high | 89.9 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | trans | -102.5 | -20.6 | 174.1 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | T96 V97 S129 P164 F165 | T96-T131 WeakPolarHBondContact CA-OG1 3.49Å; V97-T131 PolarHBondContact N-OG1 3.15Å; V97-T131 PolarHBondContact O-N 3.08Å; V97-T131 PolarHBondContact O-OG1 3.37Å; S129-T131 PolarHBondContact O-N 3.31Å; T131-P164 CarbonylContact O-C 3.58Å; T131-P164 VanDerWaalsContact O-CA 3.31Å; T131-P164 WeakPolarHBondContact O-CA 3.42Å; T131-P164 WeakPolarHBondContact O-CB 3.22Å; T131-F165 PolarHBondContact O-N 3.41Å | ||
| 132 | H | 94.5 | Very high | 89.5 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.065 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 137.7 | -179.9 | -58 | 69.9 | 0 | 0 | 0 | 112.2 | V97 I98 T99 V130 F165 W171 C184 | V97-H132 PolarHBondContact O-N 3.05Å; I98-H132 WeakPolarHBondContact CA-O 3.17Å; I98-H132 HydrophobicContact CG1-CB 4.16Å; T99-H132 PolarHBondContact N-O 3.24Å; V130-H132 WeakPolarHBondContact CG1-O 3.44Å; H132-F165 CarbonylContact C-O 3.59Å; H132-F165 WeakPolarHBondContact CA-O 3.31Å; H132-F165 AromaticContact NE2-CD2 3.82Å; H132-W171 HydrophobicContact CB-CZ3 4.43Å; H132-W171 AromaticContact CD2-CH2 3.27Å; H132-W171 WeakPolarHBondContact CD2-CH2 3.43Å; H132-W171 AromaticContact CD2-CZ2 3.57Å; H132-W171 AromaticContact CD2-CZ3 3.75Å; H132-W171 AromaticContact CG-CH2 3.86Å; H132-W171 AromaticContact NE2-CH2 3.49Å; H132-W171 WeakPolarHBondContact NE2-CH2 3.34Å; H132-W171 AromaticContact NE2-CZ2 3.52Å; H132-C184 VanDerWaalsContact CD2-SG 3.6Å; H132-C184 PolarHBondContact NE2-SG 3.31Å |
| 133 | V | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 108.7 | -179.5 | 177.1 | 0 | 0 | 0 | 0 | 109 | T99 L126 V130 V135 F142 P164 F165 I166 V167 | T99-V133 HydrophobicContact CG2-CB 4.31Å; T99-V133 HydrophobicContact CG2-CG1 4.25Å; T99-V133 HydrophobicContact CG2-CG2 3.9Å; L126-V133 HydrophobicContact CD1-CG2 4Å; V130-V133 HydrophobicContact CG1-CG2 3.94Å; V133-V135 HydrophobicContact CG1-CG1 4.31Å; V133-F142 HydrophobicContact CG1-CE1 3.52Å; V133-F142 HydrophobicContact CG1-CZ 3.93Å; V133-P164 HydrophobicContact CG2-CB 4.14Å; V133-P164 HydrophobicContact CG2-CG 4.16Å; V133-F165 PolarHBondContact N-O 2.99Å; V133-I166 HydrophobicContact CB-CG1 4.33Å; V133-I166 HydrophobicContact CG1-CG2 4.49Å; V133-I166 WeakPolarHBondContact O-CA 3.39Å; V133-V167 PolarHBondContact O-N 3.35Å |
| 134 | V | 95.3 | Very high | 89 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.1 | -176.1 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | I98 T99 C100 S101 L103 I111 V167 P169 I172 | I98-V134 HydrophobicContact CG2-CG2 3.52Å; T99-V134 PolarHBondContact O-N 3.34Å; C100-V134 WeakPolarHBondContact CA-O 3.48Å; S101-V134 PolarHBondContact N-O 3.07Å; L103-V134 HydrophobicContact CD1-CG1 4.16Å; I111-V134 HydrophobicContact CD1-CG1 4.41Å; V134-V167 CarbonylContact C-O 3.53Å; V134-V167 WeakPolarHBondContact CA-O 3.46Å; V134-V167 HydrophobicContact CG2-CG2 4.08Å; V134-P169 HydrophobicContact CG1-CB 4.34Å; V134-P169 HydrophobicContact CG1-CG 3.9Å; V134-I172 HydrophobicContact CG2-CD1 3.88Å |
| 135 | V | 93.3 | Very high | 89 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 133.1 | -179.5 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | V133 K137 F142 Y143 I166 V167 T168 P189 | V133-V135 HydrophobicContact CG1-CG1 4.31Å; V135-K137 VanDerWaalsContact C-N 3.29Å; V135-K137 PolarHBondContact O-N 3Å; V135-F142 HydrophobicContact CG1-CD1 4Å; V135-F142 HydrophobicContact CG1-CE1 3.94Å; V135-Y143 HydrophobicContact CG2-CD2 4.25Å; V135-I166 HydrophobicContact CG2-CG2 3.53Å; V135-V167 PolarHBondContact N-O 3.09Å; V135-T168 WeakPolarHBondContact O-CA 3.28Å; V135-P189 HydrophobicContact CG2-CB 4.15Å; V135-P189 HydrophobicContact CG2-CG 3.79Å |
| 136 | A | 90.6 | Very high | 88.9 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 24% | 0.24 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -76.3 | -10.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L103 P169 L192 | L103-A136 HydrophobicContact CD2-CB 3.46Å; L103-A136 VanDerWaalsContact CD2-CB 3.46Å; A136-P169 HydrophobicContact CB-CG 4.48Å; A136-L192 WeakPolarHBondContact O-CD1 3.46Å |
| 137 | K | 88.8 | Confident | 88.8 | Confident | 153 Ų | 153 | 54 Ų | 54 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -150.9 | 146.7 | -175.2 | -62.5 | -176.2 | -177.5 | 176.3 | 0 | 111.5 | V135 A139 | V135-K137 VanDerWaalsContact C-N 3.29Å; V135-K137 PolarHBondContact O-N 3Å; K137-A139 HydrophobicContact CB-CB 4.22Å; K137-A139 PolarHBondContact O-N 2.97Å |
| 138 | A | 88.4 | Confident | 88.5 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -74.9 | 51.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y143 P189 D190 | A138-Y143 VanDerWaalsContact C-CE1 3.45Å; A138-Y143 HydrophobicContact CB-CD1 4.22Å; A138-Y143 HydrophobicContact CB-CE1 3.56Å; A138-P189 HydrophobicContact CB-CB 4.16Å; A138-P189 HydrophobicContact CB-CG 4.5Å; A138-D190 WeakPolarHBondContact CB-OD1 3.47Å |
| 139 | A | 85.7 | Confident | 87.4 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | trans | -151 | 159.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113.3 | K137 Y143 | K137-A139 HydrophobicContact CB-CB 4.22Å; K137-A139 PolarHBondContact O-N 2.97Å; A139-Y143 WeakPolarHBondContact O-CB 3.11Å | ||
| 140 | G | 84.6 | Confident | 86.2 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 89.1 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F142 Y143 K144 | G140-F142 PolarHBondContact O-N 3.44Å; G140-Y143 PolarHBondContact O-N 3.43Å; G140-K144 PolarHBondContact O-N 3.29Å; G140-K144 VanDerWaalsContact O-N 3.15Å |
| 141 | N | 85.3 | Confident | 84.5 | Confident | 139 Ų | 139 | 53.9 Ų | 53.9 | 74% | 0.743 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68 | -35.8 | -172.1 | -66.2 | -7.4 | 0 | 0 | 0 | 112.5 | K144 Y145 | N141-K144 PolarHBondContact O-N 3.37Å; N141-Y145 WeakPolarHBondContact O-CB 3.39Å; N141-Y145 PolarHBondContact O-N 2.93Å |
| 142 | F | 86.1 | Confident | 82.5 | Confident | 44 Ų | 44 | 57 Ų | 57 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 175.2 | -179.4 | -89.2 | 0 | 0 | 0 | 112.3 | T99 S101 L126 V133 V135 G140 Y145 C146 | T99-F142 HydrophobicContact CG2-CZ 4.25Å; S101-F142 WeakPolarHBondContact OG-CD1 3.44Å; S101-F142 WeakPolarHBondContact OG-CG 3.48Å; L126-F142 HydrophobicContact CD2-CE2 4.32Å; L126-F142 HydrophobicContact CD2-CZ 4.42Å; V133-F142 HydrophobicContact CG1-CE1 3.52Å; V133-F142 HydrophobicContact CG1-CZ 3.93Å; V135-F142 HydrophobicContact CG1-CD1 4Å; V135-F142 HydrophobicContact CG1-CE1 3.94Å; G140-F142 PolarHBondContact O-N 3.44Å; F142-Y145 WeakPolarHBondContact O-CB 3.24Å; F142-Y145 PolarHBondContact O-N 2.67Å; F142-C146 VanDerWaalsContact CE1-SG 3.53Å; F142-C146 PolarHBondContact O-N 3.45Å; F142-C146 PolarHBondContact O-SG 3.23Å |
| 143 | Y | 89.2 | Confident | 80.6 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 175.1 | 179.4 | -117 | 0 | 0 | 0 | 111.3 | V135 A138 A139 G140 Y145 C146 T147 I166 H188 P189 D190 | V135-Y143 HydrophobicContact CG2-CD2 4.25Å; A138-Y143 VanDerWaalsContact C-CE1 3.45Å; A138-Y143 HydrophobicContact CB-CD1 4.22Å; A138-Y143 HydrophobicContact CB-CE1 3.56Å; A139-Y143 WeakPolarHBondContact O-CB 3.11Å; G140-Y143 PolarHBondContact O-N 3.43Å; Y143-Y145 VanDerWaalsContact C-N 3.29Å; Y143-Y145 PolarHBondContact O-N 2.69Å; Y143-C146 PolarHBondContact O-N 2.8Å; Y143-C146 VanDerWaalsContact O-N 3.14Å; Y143-T147 WeakPolarHBondContact CE2-OG1 3.45Å; Y143-T147 PolarHBondContact O-N 3.16Å; Y143-T147 PolarHBondContact O-OG1 3.49Å; Y143-I166 HydrophobicContact CD2-CG2 4.23Å; Y143-I166 HydrophobicContact CE2-CD1 4.41Å; Y143-I166 HydrophobicContact CE2-CG2 4Å; Y143-H188 PolarHBondContact OH-CE1 3.48Å; Y143-P189 HydrophobicContact CD2-CG 4.17Å; Y143-P189 HydrophobicContact CE2-CG 3.44Å; Y143-P189 VanDerWaalsContact CE2-CG 3.44Å; Y143-D190 PolarHBondContact OH-OD1 3.22Å; Y143-D190 PolarHBondContact OH-OD2 2.96Å |
| 144 | K | 87.3 | Confident | 78.5 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.7 | -39.6 | 174.8 | -69.2 | 178.2 | 177.7 | -178 | 0 | 112.5 | G140 N141 N148 | G140-K144 PolarHBondContact O-N 3.29Å; G140-K144 VanDerWaalsContact O-N 3.15Å; N141-K144 PolarHBondContact O-N 3.37Å; K144-N148 WeakPolarHBondContact O-CB 3.34Å; K144-N148 PolarHBondContact O-N 3.19Å |
| 145 | Y | 85.2 | Confident | 76.4 | Confident | 95 Ų | 95 | 74.1 Ų | 74.1 | 37% | 0.373 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 174.8 | -175.9 | -79.8 | 0 | 0 | 0 | 111.4 | L126 N141 F142 Y143 K149 | L126-Y145 HydrophobicContact CD2-CD1 3.84Å; L126-Y145 HydrophobicContact CD2-CE1 3.79Å; N141-Y145 WeakPolarHBondContact O-CB 3.39Å; N141-Y145 PolarHBondContact O-N 2.93Å; F142-Y145 WeakPolarHBondContact O-CB 3.24Å; F142-Y145 PolarHBondContact O-N 2.67Å; Y143-Y145 VanDerWaalsContact C-N 3.29Å; Y143-Y145 PolarHBondContact O-N 2.69Å; Y145-K149 HydrophobicContact CD2-CB 4.42Å; Y145-K149 HydrophobicContact CD2-CD 4.11Å; Y145-K149 HydrophobicContact CE1-CB 4.47Å; Y145-K149 HydrophobicContact CE2-CB 4.41Å; Y145-K149 HydrophobicContact CE2-CD 3.48Å; Y145-K149 VanDerWaalsContact CE2-CD 3.48Å; Y145-K149 HydrophobicContact CG-CB 4.47Å; Y145-K149 WeakPolarHBondContact O-CA 3.45Å; Y145-K149 VanDerWaalsContact O-CB 3.31Å; Y145-K149 WeakPolarHBondContact O-CB 3.44Å; Y145-K149 PolarHBondContact O-N 3.33Å |
| 146 | C | 84.9 | Confident | 73.9 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.007 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.3 | -37.6 | -178.6 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | L126 F142 Y143 I166 | L126-C146 VanDerWaalsContact CD2-SG 3.51Å; F142-C146 VanDerWaalsContact CE1-SG 3.53Å; F142-C146 PolarHBondContact O-N 3.45Å; F142-C146 PolarHBondContact O-SG 3.23Å; Y143-C146 PolarHBondContact O-N 2.8Å; Y143-C146 VanDerWaalsContact O-N 3.14Å; C146-I166 HydrophobicContact CB-CD1 3.72Å; C146-I166 HydrophobicContact CB-CG1 4.27Å |
| 147 | T | 84.1 | Confident | 71.3 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 25% | 0.252 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.4 | -42.6 | 178 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | Y143 A151 | Y143-T147 WeakPolarHBondContact CE2-OG1 3.45Å; Y143-T147 PolarHBondContact O-N 3.16Å; Y143-T147 PolarHBondContact O-OG1 3.49Å; T147-A151 WeakPolarHBondContact O-CB 3.21Å |
| 148 | N | 78.1 | Confident | 69.2 | Low | 97 Ų | 97 | 79.9 Ų | 79.9 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -92.7 | -44.5 | -171 | -59.7 | -0.2 | 0 | 0 | 0 | 113.7 | K144 A151 N152 | K144-N148 WeakPolarHBondContact O-CB 3.34Å; K144-N148 PolarHBondContact O-N 3.19Å; N148-A151 PolarHBondContact O-N 3.14Å; N148-N152 PolarHBondContact O-ND2 2.8Å |
| 149 | K | 64.2 | Low | 67.3 | Low | 93 Ų | 93 | 87.5 Ų | 87.5 | 40% | 0.404 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -44.3 | -168.3 | -153 | 178.2 | 178.5 | -66 | 0 | 112.5 | Y145 A151 N152 D153 | Y145-K149 HydrophobicContact CD2-CB 4.42Å; Y145-K149 HydrophobicContact CD2-CD 4.11Å; Y145-K149 HydrophobicContact CE1-CB 4.47Å; Y145-K149 HydrophobicContact CE2-CB 4.41Å; Y145-K149 HydrophobicContact CE2-CD 3.48Å; Y145-K149 VanDerWaalsContact CE2-CD 3.48Å; Y145-K149 HydrophobicContact CG-CB 4.47Å; Y145-K149 WeakPolarHBondContact O-CA 3.45Å; Y145-K149 VanDerWaalsContact O-CB 3.31Å; Y145-K149 WeakPolarHBondContact O-CB 3.44Å; Y145-K149 PolarHBondContact O-N 3.33Å; K149-A151 PolarHBondContact O-N 3.01Å; K149-N152 PolarHBondContact O-N 3.17Å; K149-D153 IonicContact NZ-OD1 3.88Å; K149-D153 PolarHBondContact NZ-OD1 2.94Å; K149-D153 IonicContact NZ-OD2 2.7Å; K149-D153 PolarHBondContact O-N 3.45Å; K149-D153 VanDerWaalsContact O-N 3.1Å |
| 150 | L | 64.2 | Low | 65.7 | Low | 39 Ų | 39 | 91.2 Ų | 91.2 | 20% | 0.204 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 2.4 | 167.6 | -70.9 | 168.4 | 0 | 0 | 0 | 114.1 | L126 P164 | L126-L150 HydrophobicContact CD1-CD1 4.1Å; L126-L150 HydrophobicContact CD2-CD1 3.9Å; L126-L150 HydrophobicContact CG-CD1 4.24Å; L150-P164 HydrophobicContact CD1-CG 3.61Å |
| 151 | A | 56.2 | Low | 64.2 | Low | 39 Ų | 39 | 92.2 Ų | 92.2 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -11.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T147 N148 K149 N154 | T147-A151 WeakPolarHBondContact O-CB 3.21Å; N148-A151 PolarHBondContact O-N 3.14Å; K149-A151 PolarHBondContact O-N 3.01Å; A151-N154 PolarHBondContact O-ND2 3.4Å |
| 152 | N | 51.5 | Low | 63.3 | Low | 114 Ų | 114 | 90 Ų | 90 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -17.3 | -177.1 | -75.5 | -75 | 0 | 0 | 0 | 113.5 | N148 K149 N154 | N148-N152 PolarHBondContact O-ND2 2.8Å; K149-N152 PolarHBondContact O-N 3.17Å; N152-N154 PolarHBondContact O-N 2.74Å |
| 153 | D | 54.7 | Low | 63.1 | Low | 82 Ų | 82 | 92.4 Ų | 92.4 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | trans | -71.3 | 42.8 | 172.7 | -60.4 | -27.6 | 0 | 0 | 0 | 112.3 | K149 D155 | K149-D153 IonicContact NZ-OD1 3.88Å; K149-D153 PolarHBondContact NZ-OD1 2.94Å; K149-D153 IonicContact NZ-OD2 2.7Å; K149-D153 PolarHBondContact O-N 3.45Å; K149-D153 VanDerWaalsContact O-N 3.1Å; D153-D155 VanDerWaalsContact C-N 3.32Å | ||
| 154 | N | 50.8 | Low | 63.1 | Low | 137 Ų | 137 | 92.2 Ų | 92.2 | 73% | 0.733 | 50% | 0.5 | S | S | * | . | trans | -88.3 | 3.1 | 171 | -70.1 | -72.6 | 0 | 0 | 0 | 112.4 | A151 N152 A156 | A151-N154 PolarHBondContact O-ND2 3.4Å; N152-N154 PolarHBondContact O-N 2.74Å; N154-A156 PolarHBondContact O-N 2.84Å | ||
| 155 | D | 51.9 | Low | 63.4 | Low | 154 Ų | 154 | 91 Ų | 91 | 82% | 0.824 | 50% | 0.496 | S | S | * | . | trans | -71.6 | 99 | -178.7 | -75.3 | -38.4 | 0 | 0 | 0 | 111.8 | D153 | D153-D155 VanDerWaalsContact C-N 3.32Š| ||
| 156 | A | 40.5 | Very low | 63.8 | Low | 84 Ų | 84 | 87 Ų | 87 | 69% | 0.694 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 69.3 | 125 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | N154 | N154-A156 PolarHBondContact O-N 2.84Š|
| 157 | C | 34.7 | Very low | 64.3 | Low | 131 Ų | 131 | 87 Ų | 87 | 89% | 0.885 | 48% | 0.48 | S | S | * | . | trans | 51.8 | 62.2 | 149.7 | 67.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 158 | D | 45.4 | Very low | 64.8 | Low | 96 Ų | 96 | 85.3 Ų | 85.3 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | trans | -152 | 106.1 | 138.6 | -153.4 | -27.2 | 0 | 0 | 0 | 111.7 | N160 N161 | D158-N160 PolarHBondContact O-N 3.35Å; D158-N160 PolarHBondContact OD1-N 3.49Å; D158-N160 PolarHBondContact OD1-ND2 3.27Å; D158-N161 HydrophobicContact CB-CB 4.41Å; D158-N161 PolarHBondContact O-N 3.4Å | ||
| 159 | E | 49.1 | Very low | 65.6 | Low | 202 Ų | 202 | 81.2 Ų | 81.2 | 94% | 0.944 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -10.6 | -178.4 | -70.5 | -80.5 | 128.1 | 0 | 0 | 113.7 | ||
| 160 | N | 52.3 | Low | 67.1 | Low | 141 Ų | 141 | 79.1 Ų | 79.1 | 75% | 0.754 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -8 | -177.1 | -58.6 | -80.8 | 0 | 0 | 0 | 114.3 | D158 S162 | D158-N160 PolarHBondContact O-N 3.35Å; D158-N160 PolarHBondContact OD1-N 3.49Å; D158-N160 PolarHBondContact OD1-ND2 3.27Å; N160-S162 VanDerWaalsContact C-N 3.32Å; N160-S162 PolarHBondContact O-N 3Å |
| 161 | N | 51.6 | Low | 68.6 | Low | 64 Ų | 64 | 77.3 Ų | 77.3 | 34% | 0.342 | 43% | 0.432 | S | S | . | . | trans | -82.4 | 67.3 | -170.4 | -169.7 | 57.6 | 0 | 0 | 0 | 113.2 | D158 K163 | D158-N161 HydrophobicContact CB-CB 4.41Å; D158-N161 PolarHBondContact O-N 3.4Å; N161-K163 PolarHBondContact O-N 3.11Å | ||
| 162 | S | 66.6 | Low | 70.6 | Confident | 92 Ų | 92 | 75.6 Ų | 75.6 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 129.3 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | N160 | N160-S162 VanDerWaalsContact C-N 3.32Å; N160-S162 PolarHBondContact O-N 3Å |
| 163 | K | 82.8 | Confident | 72.7 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 41% | 0.409 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 133.7 | 170.3 | -178.5 | 178.3 | -177 | 175.6 | 0 | 111 | N161 | N161-K163 PolarHBondContact O-N 3.11Š|
| 164 | P | 88.9 | Confident | 74.7 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 150.6 | 179.3 | 27.3 | -34.7 | 0 | 0 | 0 | 113.2 | V130 T131 V133 L150 I166 | V130-P164 HydrophobicContact CG1-CB 4.33Å; V130-P164 WeakPolarHBondContact O-CB 3.47Å; T131-P164 CarbonylContact O-C 3.58Å; T131-P164 VanDerWaalsContact O-CA 3.31Å; T131-P164 WeakPolarHBondContact O-CA 3.42Å; T131-P164 WeakPolarHBondContact O-CB 3.22Å; V133-P164 HydrophobicContact CG2-CB 4.14Å; V133-P164 HydrophobicContact CG2-CG 4.16Å; L150-P164 HydrophobicContact CD1-CG 3.61Å; P164-I166 PolarHBondContact O-N 3.04Å |
| 165 | F | 92.9 | Very high | 76.9 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 45% | 0.452 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 116.8 | 177.9 | -62.4 | -74.6 | 0 | 0 | 0 | 111.3 | T131 H132 V133 V167 C184 | T131-F165 PolarHBondContact O-N 3.41Å; H132-F165 CarbonylContact C-O 3.59Å; H132-F165 WeakPolarHBondContact CA-O 3.31Å; H132-F165 AromaticContact NE2-CD2 3.82Å; V133-F165 PolarHBondContact N-O 2.99Å; F165-V167 HydrophobicContact CB-CG1 4.32Å; F165-C184 HydrophobicContact CB-CB 3.81Å; F165-C184 HydrophobicContact CD1-CB 3.84Å; F165-C184 HydrophobicContact CG-CB 3.86Å |
| 166 | I | 93.6 | Very high | 78.9 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 121 | 172.1 | -49.3 | 171.1 | 0 | 0 | 0 | 108.7 | V133 V135 Y143 C146 P164 H188 P189 | V133-I166 HydrophobicContact CB-CG1 4.33Å; V133-I166 HydrophobicContact CG1-CG2 4.49Å; V133-I166 WeakPolarHBondContact O-CA 3.39Å; V135-I166 HydrophobicContact CG2-CG2 3.53Å; Y143-I166 HydrophobicContact CD2-CG2 4.23Å; Y143-I166 HydrophobicContact CE2-CD1 4.41Å; Y143-I166 HydrophobicContact CE2-CG2 4Å; C146-I166 HydrophobicContact CB-CD1 3.72Å; C146-I166 HydrophobicContact CB-CG1 4.27Å; P164-I166 PolarHBondContact O-N 3.04Å; I166-H188 PolarHBondContact O-CD2 3.02Å; I166-H188 VanDerWaalsContact O-CD2 3.29Å; I166-P189 HydrophobicContact CG2-CG 3.94Å |
| 167 | V | 95.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 157.2 | -172.3 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | V133 V134 V135 F165 W171 C184 Y187 | V133-V167 PolarHBondContact O-N 3.35Å; V134-V167 CarbonylContact C-O 3.53Å; V134-V167 WeakPolarHBondContact CA-O 3.46Å; V134-V167 HydrophobicContact CG2-CG2 4.08Å; V135-V167 PolarHBondContact N-O 3.09Å; F165-V167 HydrophobicContact CB-CG1 4.32Å; V167-W171 HydrophobicContact CB-CB 4.05Å; V167-W171 HydrophobicContact CB-CG 4.32Å; V167-W171 HydrophobicContact CG1-CB 4.5Å; V167-W171 HydrophobicContact CG1-CG 4.32Å; V167-W171 HydrophobicContact CG2-CB 4.26Å; V167-W171 HydrophobicContact CG2-CD2 4.22Å; V167-W171 HydrophobicContact CG2-CE3 3.88Å; V167-W171 HydrophobicContact CG2-CG 4.39Å; V167-C184 HydrophobicContact CG1-CB 3.68Å; V167-Y187 CarbonylContact C-O 3.59Å; V167-Y187 VanDerWaalsContact CA-O 3.31Å; V167-Y187 WeakPolarHBondContact CA-O 3.05Å |
| 168 | T | 94.9 | Very high | 84.3 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | trans | -81.5 | 159.9 | 168.6 | 66.2 | 0 | 0 | 0 | 0 | 111.8 | V135 D170 W171 Y187 P189 L192 | V135-T168 WeakPolarHBondContact O-CA 3.28Å; T168-D170 WeakPolarHBondContact CB-OD2 3.16Å; T168-D170 PolarHBondContact O-N 3.49Å; T168-D170 VanDerWaalsContact O-N 3.09Å; T168-D170 PolarHBondContact OG1-OD2 3.17Å; T168-W171 WeakPolarHBondContact O-CB 3.37Å; T168-W171 PolarHBondContact O-N 3.35Å; T168-W171 VanDerWaalsContact O-N 3.08Å; T168-Y187 PolarHBondContact N-O 2.88Å; T168-P189 HydrophobicContact CG2-CB 4.07Å; T168-L192 HydrophobicContact CG2-CD1 3.77Å; T168-L192 HydrophobicContact CG2-CD2 4.07Å; T168-L192 HydrophobicContact CG2-CG 3.91Å | ||
| 169 | P | 95.6 | Very high | 86.6 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.4 | -25.4 | 173.3 | -27.8 | 36 | 0 | 0 | 0 | 114.5 | L103 I111 V134 A136 W171 I172 V173 I713 | L103-P169 HydrophobicContact CD1-CG 4.26Å; L103-P169 HydrophobicContact CD2-CG 3.76Å; I111-P169 HydrophobicContact CD1-CB 4.44Å; V134-P169 HydrophobicContact CG1-CB 4.34Å; V134-P169 HydrophobicContact CG1-CG 3.9Å; A136-P169 HydrophobicContact CB-CG 4.48Å; P169-W171 PolarHBondContact O-N 3.18Å; P169-I172 PolarHBondContact O-N 3.19Å; P169-I172 VanDerWaalsContact O-N 3.07Å; P169-V173 PolarHBondContact O-N 2.64Å; P169-I713 HydrophobicContact CB-CD1 3.98Å; P169-I713 HydrophobicContact CG-CD1 4.24Å |
| 170 | D | 94.7 | Very high | 88.8 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.9 | -30.5 | 176.4 | -45.8 | -87.9 | 0 | 0 | 0 | 112.5 | T168 I172 V173 D174 Y187 | T168-D170 WeakPolarHBondContact CB-OD2 3.16Å; T168-D170 PolarHBondContact O-N 3.49Å; T168-D170 VanDerWaalsContact O-N 3.09Å; T168-D170 PolarHBondContact OG1-OD2 3.17Å; D170-I172 VanDerWaalsContact C-N 3.33Å; D170-I172 PolarHBondContact O-N 3.12Å; D170-V173 PolarHBondContact O-N 3.48Å; D170-D174 WeakPolarHBondContact O-CB 3.35Å; D170-D174 PolarHBondContact O-N 3.47Å; D170-Y187 HydrophobicContact CB-CD1 4.29Å |
| 171 | W | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.8 | 177.3 | 72.5 | 0 | 0 | 0 | 111.9 | F93 I98 H132 V167 T168 P169 C175 L181 L182 Y187 | F93-W171 HydrophobicContact CD1-CH2 4.09Å; F93-W171 HydrophobicContact CD1-CZ3 4.47Å; F93-W171 AromaticContact CE1-CH2 3.93Å; F93-W171 HydrophobicContact CE1-CH2 3.93Å; F93-W171 HydrophobicContact CE1-CZ2 4.43Å; F93-W171 HydrophobicContact CE1-CZ3 4.05Å; I98-W171 HydrophobicContact CD1-CH2 4.32Å; I98-W171 HydrophobicContact CD1-CZ3 3.85Å; H132-W171 HydrophobicContact CB-CZ3 4.43Å; H132-W171 AromaticContact CD2-CH2 3.27Å; H132-W171 WeakPolarHBondContact CD2-CH2 3.43Å; H132-W171 AromaticContact CD2-CZ2 3.57Å; H132-W171 AromaticContact CD2-CZ3 3.75Å; H132-W171 AromaticContact CG-CH2 3.86Å; H132-W171 AromaticContact NE2-CH2 3.49Å; H132-W171 WeakPolarHBondContact NE2-CH2 3.34Å; H132-W171 AromaticContact NE2-CZ2 3.52Å; V167-W171 HydrophobicContact CB-CB 4.05Å; V167-W171 HydrophobicContact CB-CG 4.32Å; V167-W171 HydrophobicContact CG1-CB 4.5Å; V167-W171 HydrophobicContact CG1-CG 4.32Å; V167-W171 HydrophobicContact CG2-CB 4.26Å; V167-W171 HydrophobicContact CG2-CD2 4.22Å; V167-W171 HydrophobicContact CG2-CE3 3.88Å; V167-W171 HydrophobicContact CG2-CG 4.39Å; T168-W171 WeakPolarHBondContact O-CB 3.37Å; T168-W171 PolarHBondContact O-N 3.35Å; T168-W171 VanDerWaalsContact O-N 3.08Å; P169-W171 PolarHBondContact O-N 3.18Å; W171-C175 WeakPolarHBondContact O-CB 3.4Å; W171-C175 PolarHBondContact O-N 3.16Å; W171-C175 PolarHBondContact O-SG 2.98Å; W171-L181 HydrophobicContact CH2-CD1 4Å; W171-L181 HydrophobicContact CZ2-CD1 3.58Å; W171-L182 PolarHBondContact NE1-O 2.94Å; W171-Y187 VanDerWaalsContact CA-CE1 3.49Å; W171-Y187 HydrophobicContact CB-CD1 3.6Å; W171-Y187 HydrophobicContact CB-CD2 4.3Å; W171-Y187 HydrophobicContact CB-CE1 4.12Å; W171-Y187 HydrophobicContact CB-CG 3.69Å; W171-Y187 AromaticContact CD1-CD2 3.62Å; W171-Y187 AromaticContact CD1-CE2 3.81Å; W171-Y187 AromaticContact CD1-CG 3.91Å; W171-Y187 HydrophobicContact CG-CD1 4.42Å; W171-Y187 HydrophobicContact CG-CD2 4.34Å; W171-Y187 HydrophobicContact CG-CG 4.19Å |
| 172 | I | 97.1 | Very high | 93 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.7 | -43.9 | 177.9 | -61.3 | -172.6 | 0 | 0 | 0 | 109.9 | F93 I98 I111 V115 V134 P169 D170 D174 C175 L176 | F93-I172 HydrophobicContact CE2-CG2 4.12Å; F93-I172 HydrophobicContact CZ-CB 4.36Å; F93-I172 HydrophobicContact CZ-CG1 4.46Å; F93-I172 HydrophobicContact CZ-CG2 3.91Å; I98-I172 HydrophobicContact CD1-CD1 4.47Å; I111-I172 HydrophobicContact CG1-CD1 4.33Å; I111-I172 HydrophobicContact CG2-CD1 3.5Å; V115-I172 HydrophobicContact CG2-CD1 3.95Å; V134-I172 HydrophobicContact CG2-CD1 3.88Å; P169-I172 PolarHBondContact O-N 3.19Å; P169-I172 VanDerWaalsContact O-N 3.07Å; D170-I172 VanDerWaalsContact C-N 3.33Å; D170-I172 PolarHBondContact O-N 3.12Å; I172-D174 VanDerWaalsContact C-N 3.34Å; I172-D174 PolarHBondContact O-N 3.3Å; I172-C175 PolarHBondContact O-N 3.02Å; I172-L176 HydrophobicContact CG2-CD1 3.9Å; I172-L176 HydrophobicContact CG2-CG 4.43Å; I172-L176 WeakPolarHBondContact O-CB 3.16Å; I172-L176 WeakPolarHBondContact O-CD1 3.43Å; I172-L176 WeakPolarHBondContact O-CG 3.46Å; I172-L176 PolarHBondContact O-N 2.9Å |
| 173 | V | 96.2 | Very high | 94.3 | Very high | 71 Ų | 71 | 45.9 Ų | 45.9 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 178.7 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | P169 D170 S177 | P169-V173 PolarHBondContact O-N 2.64Å; D170-V173 PolarHBondContact O-N 3.48Å; V173-S177 WeakPolarHBondContact O-CB 3.41Å; V173-S177 PolarHBondContact O-N 3.25Å |
| 174 | D | 96.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.6 | -37.5 | 177.8 | -75.6 | -32.3 | 0 | 0 | 0 | 113 | D170 I172 L176 S177 Q178 L182 Y187 R708 | D170-D174 WeakPolarHBondContact O-CB 3.35Å; D170-D174 PolarHBondContact O-N 3.47Å; I172-D174 VanDerWaalsContact C-N 3.34Å; I172-D174 PolarHBondContact O-N 3.3Å; D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.88Å; D174-S177 WeakPolarHBondContact CA-OG 3.18Å; D174-S177 PolarHBondContact O-N 2.96Å; D174-S177 PolarHBondContact O-OG 3.36Å; D174-Q178 WeakPolarHBondContact O-CB 3.25Å; D174-Q178 WeakPolarHBondContact O-CG 3.4Å; D174-Q178 PolarHBondContact O-N 3.47Å; D174-L182 HydrophobicContact CB-CD1 3.63Å; D174-Y187 HydrophobicContact CB-CE1 4.19Å; D174-Y187 WeakPolarHBondContact CB-OH 3.42Å; D174-Y187 WeakPolarHBondContact OD2-CE1 3.47Å; D174-Y187 PolarHBondContact OD2-OH 3.19Å; D174-R708 IonicContact OD1-NH2 2.67Å; D174-R708 PolarHBondContact OD1-NH2 2.78Å; D174-R708 IonicContact OD2-CZ 3.99Å; D174-R708 IonicContact OD2-NH1 3.55Å; D174-R708 PolarHBondContact OD2-NH1 3.1Å; D174-R708 IonicContact OD2-NH2 3.97Å; D174-R708 PolarHBondContact OD2-NH2 3.04Å |
| 175 | C | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -42 | 173 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | I92 F93 W171 I172 N179 N180 L182 | I92-C175 HydrophobicContact CD1-CB 4.08Å; I92-C175 VanDerWaalsContact CD1-O 3.22Å; I92-C175 WeakPolarHBondContact CD1-O 3.47Å; F93-C175 HydrophobicContact CE1-CB 3.61Å; F93-C175 HydrophobicContact CZ-CB 3.57Å; W171-C175 WeakPolarHBondContact O-CB 3.4Å; W171-C175 PolarHBondContact O-N 3.16Å; W171-C175 PolarHBondContact O-SG 2.98Å; I172-C175 PolarHBondContact O-N 3.02Å; C175-N179 CarbonylContact O-C 3.58Å; C175-N179 WeakPolarHBondContact O-CA 3.33Å; C175-N179 PolarHBondContact O-N 2.91Å; C175-N180 WeakPolarHBondContact CA-O 3.4Å; C175-N180 VanDerWaalsContact CB-O 3.31Å; C175-N180 WeakPolarHBondContact CB-O 3.48Å; C175-N180 PolarHBondContact O-N 3.5Å; C175-L182 PolarHBondContact SG-N 3.01Å |
| 176 | L | 94.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 173.9 | -69 | 167.1 | 0 | 0 | 0 | 111.9 | I92 F93 H114 H118 I172 D174 Q178 N179 | I92-L176 HydrophobicContact CD1-CD2 4.26Å; F93-L176 HydrophobicContact CE2-CD2 4.2Å; F93-L176 HydrophobicContact CE2-CG 4.34Å; H114-L176 HydrophobicContact CB-CD1 3.99Å; H114-L176 HydrophobicContact CB-CD2 4.42Å; H118-L176 WeakPolarHBondContact CD2-CD2 3.19Å; H118-L176 WeakPolarHBondContact NE2-CD2 3.43Å; I172-L176 HydrophobicContact CG2-CD1 3.9Å; I172-L176 HydrophobicContact CG2-CG 4.43Å; I172-L176 WeakPolarHBondContact O-CB 3.16Å; I172-L176 WeakPolarHBondContact O-CD1 3.43Å; I172-L176 WeakPolarHBondContact O-CG 3.46Å; I172-L176 PolarHBondContact O-N 2.9Å; D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.88Å; L176-Q178 PolarHBondContact O-N 3.35Å; L176-N179 PolarHBondContact O-N 2.86Å |
| 177 | S | 95.1 | Very high | 94.7 | Very high | 84 Ų | 84 | 46.8 Ų | 46.8 | 59% | 0.587 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -69.2 | -32.7 | -176.7 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | V173 D174 | V173-S177 WeakPolarHBondContact O-CB 3.41Å; V173-S177 PolarHBondContact O-N 3.25Å; D174-S177 WeakPolarHBondContact CA-OG 3.18Å; D174-S177 PolarHBondContact O-N 2.96Å; D174-S177 PolarHBondContact O-OG 3.36Å |
| 178 | Q | 93.5 | Very high | 94.6 | Very high | 119 Ų | 119 | 49.4 Ų | 49.4 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.4 | 174.6 | -59.9 | -175.3 | 34.1 | 0 | 0 | 112.9 | D174 L176 N180 L182 | D174-Q178 WeakPolarHBondContact O-CB 3.25Å; D174-Q178 WeakPolarHBondContact O-CG 3.4Å; D174-Q178 PolarHBondContact O-N 3.47Å; L176-Q178 PolarHBondContact O-N 3.35Å; Q178-N180 PolarHBondContact O-N 3.41Å; Q178-L182 HydrophobicContact CB-CD2 4.37Å; Q178-L182 HydrophobicContact CG-CD1 4.37Å |
| 179 | N | 93 | Very high | 94.5 | Very high | 78 Ų | 78 | 49.2 Ų | 49.2 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 45.9 | -172.5 | -169.6 | 25.3 | 0 | 0 | 0 | 112.3 | K90 I92 C175 L176 | K90-N179 WeakPolarHBondContact CD-O 3.26Å; K90-N179 WeakPolarHBondContact CE-O 3.48Å; K90-N179 PolarHBondContact NZ-O 3.15Å; I92-N179 WeakPolarHBondContact CG2-O 3.27Å; I92-N179 WeakPolarHBondContact CG2-OD1 3.13Å; C175-N179 CarbonylContact O-C 3.58Å; C175-N179 WeakPolarHBondContact O-CA 3.33Å; C175-N179 PolarHBondContact O-N 2.91Å; L176-N179 PolarHBondContact O-N 2.86Å |
| 180 | N | 95.5 | Very high | 94.2 | Very high | 74 Ų | 74 | 53.2 Ų | 53.2 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -157.4 | 151.4 | -175.9 | -157.3 | 58.3 | 0 | 0 | 0 | 112.1 | K90 C175 Q178 L182 | K90-N180 PolarHBondContact NZ-OD1 3.16Å; C175-N180 WeakPolarHBondContact CA-O 3.4Å; C175-N180 VanDerWaalsContact CB-O 3.31Å; C175-N180 WeakPolarHBondContact CB-O 3.48Å; C175-N180 PolarHBondContact O-N 3.5Å; Q178-N180 PolarHBondContact O-N 3.41Å; N180-L182 HydrophobicContact CB-CD2 4.44Å; N180-L182 PolarHBondContact O-N 3.19Å |
| 181 | L | 95.9 | Very high | 93.9 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | trans | -72.4 | 127 | 172 | -166 | 62.3 | 0 | 0 | 0 | 109.8 | I92 F93 T96 W171 | I92-L181 WeakPolarHBondContact O-CB 3.46Å; F93-L181 HydrophobicContact CD1-CD1 3.84Å; F93-L181 HydrophobicContact CE1-CD1 4.19Å; T96-L181 HydrophobicContact CG2-CD1 4.25Å; W171-L181 HydrophobicContact CH2-CD1 4Å; W171-L181 HydrophobicContact CZ2-CD1 3.58Å | ||
| 182 | L | 95.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | trans | -109.6 | 150 | -174.9 | -55.7 | -177.6 | 0 | 0 | 0 | 112.2 | W171 D174 C175 Q178 N180 C184 Y187 | W171-L182 PolarHBondContact NE1-O 2.94Å; D174-L182 HydrophobicContact CB-CD1 3.63Å; C175-L182 PolarHBondContact SG-N 3.01Å; Q178-L182 HydrophobicContact CB-CD2 4.37Å; Q178-L182 HydrophobicContact CG-CD1 4.37Å; N180-L182 HydrophobicContact CB-CD2 4.44Å; N180-L182 PolarHBondContact O-N 3.19Å; L182-C184 PolarHBondContact O-N 2.89Å; L182-Y187 WeakPolarHBondContact CD1-OH 3.3Å | ||
| 183 | P | 94.2 | Very high | 91.9 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | trans | -60.9 | 128.7 | 176.6 | -22.8 | 33.7 | 0 | 0 | 0 | 112.7 | T185 Y187 | P183-T185 VanDerWaalsContact C-N 3.25Å; P183-T185 PolarHBondContact O-N 2.91Å; P183-Y187 VanDerWaalsContact O-CD2 3.28Å; P183-Y187 WeakPolarHBondContact O-CD2 3.11Å; P183-Y187 VanDerWaalsContact O-CE2 3.26Å; P183-Y187 WeakPolarHBondContact O-CE2 3.45Å | ||
| 184 | C | 93.6 | Very high | 89.9 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -68.6 | -16.7 | -175.7 | -60.9 | 0 | 0 | 0 | 0 | 114.9 | H132 F165 V167 L182 S186 Y187 | H132-C184 VanDerWaalsContact CD2-SG 3.6Å; H132-C184 PolarHBondContact NE2-SG 3.31Å; F165-C184 HydrophobicContact CB-CB 3.81Å; F165-C184 HydrophobicContact CD1-CB 3.84Å; F165-C184 HydrophobicContact CG-CB 3.86Å; V167-C184 HydrophobicContact CG1-CB 3.68Å; L182-C184 PolarHBondContact O-N 2.89Å; C184-S186 VanDerWaalsContact C-N 3.31Å; C184-S186 PolarHBondContact O-N 3.23Å; C184-Y187 PolarHBondContact O-N 2.73Å |
| 185 | T | 89 | Confident | 87.2 | Confident | 112 Ų | 112 | 67.8 Ų | 67.8 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -58.8 | -35.7 | -170.6 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | P183 Y187 | P183-T185 VanDerWaalsContact C-N 3.25Å; P183-T185 PolarHBondContact O-N 2.91Å; T185-Y187 PolarHBondContact O-N 3.02Å |
| 186 | S | 90.8 | Very high | 84.4 | Confident | 88 Ų | 88 | 73.1 Ų | 73.1 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -79.9 | 2.1 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 114.3 | C184 | C184-S186 VanDerWaalsContact C-N 3.31Å; C184-S186 PolarHBondContact O-N 3.23Å |
| 187 | Y | 93.7 | Very high | 81.7 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 9% | 0.086 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -122.8 | 10.5 | -168.8 | -58.3 | -93 | 0 | 0 | 0 | 113.6 | V167 T168 D170 W171 D174 L182 P183 C184 T185 | V167-Y187 CarbonylContact C-O 3.59Å; V167-Y187 VanDerWaalsContact CA-O 3.31Å; V167-Y187 WeakPolarHBondContact CA-O 3.05Å; T168-Y187 PolarHBondContact N-O 2.88Å; D170-Y187 HydrophobicContact CB-CD1 4.29Å; W171-Y187 VanDerWaalsContact CA-CE1 3.49Å; W171-Y187 HydrophobicContact CB-CD1 3.6Å; W171-Y187 HydrophobicContact CB-CD2 4.3Å; W171-Y187 HydrophobicContact CB-CE1 4.12Å; W171-Y187 HydrophobicContact CB-CG 3.69Å; W171-Y187 AromaticContact CD1-CD2 3.62Å; W171-Y187 AromaticContact CD1-CE2 3.81Å; W171-Y187 AromaticContact CD1-CG 3.91Å; W171-Y187 HydrophobicContact CG-CD1 4.42Å; W171-Y187 HydrophobicContact CG-CD2 4.34Å; W171-Y187 HydrophobicContact CG-CG 4.19Å; D174-Y187 HydrophobicContact CB-CE1 4.19Å; D174-Y187 WeakPolarHBondContact CB-OH 3.42Å; D174-Y187 WeakPolarHBondContact OD2-CE1 3.47Å; D174-Y187 PolarHBondContact OD2-OH 3.19Å; L182-Y187 WeakPolarHBondContact CD1-OH 3.3Å; P183-Y187 VanDerWaalsContact O-CD2 3.28Å; P183-Y187 WeakPolarHBondContact O-CD2 3.11Å; P183-Y187 VanDerWaalsContact O-CE2 3.26Å; P183-Y187 WeakPolarHBondContact O-CE2 3.45Å; C184-Y187 PolarHBondContact O-N 2.73Å; T185-Y187 PolarHBondContact O-N 3.02Å |
| 188 | H | 92.9 | Very high | 79 | Confident | 55 Ų | 55 | 80.6 Ų | 80.6 | 26% | 0.255 | 47% | 0.466 | S | S | . | . | trans | -63.2 | 135.5 | 176.8 | -160.5 | -105.2 | 0 | 0 | 0 | 110.4 | Y143 I166 D190 L191 | Y143-H188 PolarHBondContact OH-CE1 3.48Å; I166-H188 PolarHBondContact O-CD2 3.02Å; I166-H188 VanDerWaalsContact O-CD2 3.29Å; H188-D190 IonicContact CE1-OD2 2.67Å; H188-D190 PolarHBondContact CE1-OD2 3.4Å; H188-D190 IonicContact ND1-OD2 2.69Å; H188-D190 PolarHBondContact ND1-OD2 3.29Å; H188-D190 PolarHBondContact O-N 2.93Å; H188-D190 VanDerWaalsContact O-N 3.11Å; H188-L191 HydrophobicContact CB-CD1 4.21Å; H188-L191 HydrophobicContact CB-CG 4.23Å; H188-L191 VanDerWaalsContact O-CB 3.29Å; H188-L191 WeakPolarHBondContact O-CB 3.2Å; H188-L191 WeakPolarHBondContact O-CG 3.3Å; H188-L191 PolarHBondContact O-N 3.23Å | ||
| 189 | P | 91.4 | Very high | 76.4 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.013 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -63.6 | -19.3 | -174.2 | 27.1 | -39 | 0 | 0 | 0 | 114.7 | V135 A138 Y143 I166 T168 L191 L192 | V135-P189 HydrophobicContact CG2-CB 4.15Å; V135-P189 HydrophobicContact CG2-CG 3.79Å; A138-P189 HydrophobicContact CB-CB 4.16Å; A138-P189 HydrophobicContact CB-CG 4.5Å; Y143-P189 HydrophobicContact CD2-CG 4.17Å; Y143-P189 HydrophobicContact CE2-CG 3.44Å; Y143-P189 VanDerWaalsContact CE2-CG 3.44Å; I166-P189 HydrophobicContact CG2-CG 3.94Å; T168-P189 HydrophobicContact CG2-CB 4.07Å; P189-L191 PolarHBondContact O-N 2.93Å; P189-L192 WeakPolarHBondContact O-CB 3.47Å; P189-L192 WeakPolarHBondContact O-CG 3.36Å; P189-L192 PolarHBondContact O-N 3.25Å |
| 190 | D | 89.3 | Confident | 73.8 | Confident | 96 Ų | 96 | 80.9 Ų | 80.9 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -67.2 | -20 | 171.4 | -62.8 | -33.1 | 0 | 0 | 0 | 113 | A138 Y143 H188 L192 | A138-D190 WeakPolarHBondContact CB-OD1 3.47Å; Y143-D190 PolarHBondContact OH-OD1 3.22Å; Y143-D190 PolarHBondContact OH-OD2 2.96Å; H188-D190 IonicContact CE1-OD2 2.67Å; H188-D190 PolarHBondContact CE1-OD2 3.4Å; H188-D190 IonicContact ND1-OD2 2.69Å; H188-D190 PolarHBondContact ND1-OD2 3.29Å; H188-D190 PolarHBondContact O-N 2.93Å; H188-D190 VanDerWaalsContact O-N 3.11Å; D190-L192 PolarHBondContact O-N 3.16Å |
| 191 | L | 88.2 | Confident | 71.2 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -79.4 | -7.2 | 178.1 | -56 | 176.3 | 0 | 0 | 0 | 112.5 | H188 P189 V193 | H188-L191 HydrophobicContact CB-CD1 4.21Å; H188-L191 HydrophobicContact CB-CG 4.23Å; H188-L191 VanDerWaalsContact O-CB 3.29Å; H188-L191 WeakPolarHBondContact O-CB 3.2Å; H188-L191 WeakPolarHBondContact O-CG 3.3Å; H188-L191 PolarHBondContact O-N 3.23Å; P189-L191 PolarHBondContact O-N 2.93Å; L191-V193 PolarHBondContact O-N 2.97Å; L191-V193 VanDerWaalsContact O-N 3.14Å |
| 192 | L | 80.9 | Confident | 68.4 | Low | 37 Ų | 37 | 84.9 Ų | 84.9 | 19% | 0.194 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -69.1 | 107.4 | 172.8 | -66.7 | 177.1 | 0 | 0 | 0 | 109.6 | A136 T168 P189 D190 C194 V710 | A136-L192 WeakPolarHBondContact O-CD1 3.46Å; T168-L192 HydrophobicContact CG2-CD1 3.77Å; T168-L192 HydrophobicContact CG2-CD2 4.07Å; T168-L192 HydrophobicContact CG2-CG 3.91Å; P189-L192 WeakPolarHBondContact O-CB 3.47Å; P189-L192 WeakPolarHBondContact O-CG 3.36Å; P189-L192 PolarHBondContact O-N 3.25Å; D190-L192 PolarHBondContact O-N 3.16Å; L192-C194 VanDerWaalsContact C-N 3.31Å; L192-C194 PolarHBondContact O-N 3.17Å; L192-V710 HydrophobicContact CD1-CG2 4.41Å; L192-V710 HydrophobicContact CD2-CG2 4.15Å |
| 193 | V | 71.4 | Confident | 65.7 | Low | 87 Ų | 87 | 93.7 Ų | 93.7 | 53% | 0.527 | 56% | 0.562 | S | S | . | * | trans | -66 | 93.7 | 172.2 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | L191 T195 | L191-V193 PolarHBondContact O-N 2.97Å; L191-V193 VanDerWaalsContact O-N 3.14Å; V193-T195 PolarHBondContact O-N 2.94Å | ||
| 194 | C | 53.7 | Low | 63.2 | Low | 103 Ų | 103 | 98.3 Ų | 98.3 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | trans | -67.4 | 101.3 | 170.7 | -166.8 | 0 | 0 | 0 | 0 | 107.9 | L192 T196 | L192-C194 VanDerWaalsContact C-N 3.31Å; L192-C194 PolarHBondContact O-N 3.17Å; C194-T196 PolarHBondContact O-N 3.39Å | ||
| 195 | T | 40.8 | Very low | 60.4 | Low | 121 Ų | 121 | 103.1 Ų | 103.1 | 74% | 0.742 | 61% | 0.605 | S | S | * | * | trans | -70.4 | 72.8 | 165.2 | 55.1 | 0 | 0 | 0 | 0 | 108.3 | V193 S197 | V193-T195 PolarHBondContact O-N 2.94Å; T195-S197 PolarHBondContact O-N 2.98Å | ||
| 196 | T | 39.5 | Very low | 57.4 | Low | 113 Ų | 113 | 102.6 Ų | 102.6 | 69% | 0.693 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 127 | 166.1 | 45.1 | 0 | 0 | 0 | 0 | 107.4 | C194 L198 | C194-T196 PolarHBondContact O-N 3.39Å; T196-L198 PolarHBondContact O-N 3.06Å |
| 197 | S | 36.6 | Very low | 54.7 | Low | 110 Ų | 110 | 105.8 Ų | 105.8 | 77% | 0.769 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 128.3 | -172 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | T195 S199 | T195-S197 PolarHBondContact O-N 2.98Å; S197-S199 PolarHBondContact O-N 3.46Å |
| 198 | L | 39.5 | Very low | 52 | Low | 171 Ų | 171 | 114.2 Ų | 114.2 | 90% | 0.895 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -50 | 121.3 | 167.6 | -141.5 | 77.7 | 0 | 0 | 0 | 107.2 | T196 S200 | T196-L198 PolarHBondContact O-N 3.06Å; L198-S200 PolarHBondContact O-N 2.92Å |
| 199 | S | 38.4 | Very low | 49 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 118.3 | -174.9 | 41.7 | 0 | 0 | 0 | 0 | 108.7 | S197 P201 | S197-S199 PolarHBondContact O-N 3.46Å; S199-P201 VanDerWaalsContact O-N 3.13Å |
| 200 | S | 37.6 | Very low | 46 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.3 | 173.7 | 52.5 | 0 | 0 | 0 | 0 | 107.6 | L198 S202 | L198-S200 PolarHBondContact O-N 2.92Å; S200-S202 PolarHBondContact O-N 3.45Å |
| 201 | P | 41.2 | Very low | 43.2 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 81% | 0.805 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 118 | -176.1 | 22.3 | -32.6 | 0 | 0 | 0 | 108.4 | S199 K203 | S199-P201 VanDerWaalsContact O-N 3.13Å; P201-K203 PolarHBondContact O-N 3.24Å |
| 202 | S | 38.2 | Very low | 40.5 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 131 | -172.5 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | S200 Q204 | S200-S202 PolarHBondContact O-N 3.45Å; S202-Q204 VanDerWaalsContact C-N 3.31Å; S202-Q204 PolarHBondContact O-N 3.5Å |
| 203 | K | 38.5 | Very low | 38.4 | Very low | 202 Ų | 202 | 138.1 Ų | 138.1 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | trans | -61.9 | 93.4 | 173.4 | -71 | -178.1 | 177.8 | 179.4 | 0 | 109.1 | P201 T205 | P201-K203 PolarHBondContact O-N 3.24Å; K203-T205 PolarHBondContact O-N 3.3Å; K203-T205 VanDerWaalsContact O-N 3.07Å; K203-T205 PolarHBondContact O-OG1 3.03Å | ||
| 204 | Q | 41.1 | Very low | 36.5 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -72.6 | 97.4 | 167.3 | -76.4 | -169.6 | -12.4 | 0 | 0 | 108.1 | S202 | S202-Q204 VanDerWaalsContact C-N 3.31Å; S202-Q204 PolarHBondContact O-N 3.5Å | ||
| 205 | T | 35.7 | Very low | 35.6 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -78.6 | 129.1 | -179.9 | -51.2 | 0 | 0 | 0 | 0 | 110.4 | K203 | K203-T205 PolarHBondContact O-N 3.3Å; K203-T205 VanDerWaalsContact O-N 3.07Å; K203-T205 PolarHBondContact O-OG1 3.03Å | ||
| 206 | C | 25.2 | Very low | 35.3 | Very low | 102 Ų | 102 | 146 Ų | 146 | 69% | 0.689 | 79% | 0.785 | S | S | * | * | trans | 72 | 126.4 | 160.8 | -80.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 207 | L | 34.9 | Very low | 35.2 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | 64.4 | 100.6 | 135.9 | -57.2 | 168.8 | 0 | 0 | 0 | 117.2 | ||||
| 208 | K | 36.8 | Very low | 35.4 | Very low | 200 Ų | 200 | 148.7 Ų | 148.7 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | -162 | 158.5 | 56 | -79.8 | 169.2 | 179.3 | 174.1 | 0 | 112 | |||||
| 209 | K | 29.3 | Very low | 35.3 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 154.6 | 170.9 | -95.5 | 179.9 | -176.9 | 175.1 | 0 | 111.5 | Q211 | K209-Q211 HydrophobicContact CD-CG 4.16Å; K209-Q211 VanDerWaalsContact CE-OE1 3.25Å | ||
| 210 | P | 28.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -122.4 | 137.8 | 101.1 | -1.1 | 21.2 | 0 | 0 | 0 | 113 | |||||
| 211 | Q | 31.5 | Very low | 35.7 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 64% | 0.64 | 77% | 0.774 | S | S | * | * | trans | -96.5 | 136 | 155 | -80.9 | 174.6 | -85.1 | 0 | 0 | 108 | K209 | K209-Q211 HydrophobicContact CD-CG 4.16Å; K209-Q211 VanDerWaalsContact CE-OE1 3.25Å | ||
| 212 | Q | 31.8 | Very low | 35.6 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -130.6 | 109.2 | 155 | -81.2 | -171.4 | -18.7 | 0 | 0 | 108.8 | ||||
| 213 | Q | 36.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 151.1 Ų | 151.1 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -137 | 91.3 | 167.4 | -176.1 | 175.7 | -0.8 | 0 | 0 | 108 | ||||
| 214 | L | 31.5 | Very low | 35.6 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 41.3 | 87.3 | 136.2 | -171 | 67 | 0 | 0 | 0 | 117.5 | ||||
| 215 | N | 34.1 | Very low | 35.6 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | 164.1 | 158.4 | 118.1 | -87.1 | -20 | 0 | 0 | 0 | 115.2 | |||||
| 216 | E | 35.5 | Very low | 35.6 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | 70.5 | 152.1 | 167.6 | -65.4 | -133.9 | 77.1 | 0 | 0 | 120 | ||||
| 217 | P | 37.4 | Very low | 36.1 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -131.4 | -176.2 | -152.5 | 39.5 | -19.7 | 0 | 0 | 0 | 116.3 | ||||
| 218 | K | 40.1 | Very low | 36.3 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 80.2 | 143.7 | 176.4 | -53.8 | 173.6 | 177.6 | -172.8 | 0 | 114.8 | ||||
| 219 | E | 36.5 | Very low | 36.5 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | cis | -159.2 | 143.8 | -7.4 | -118.3 | 170 | 98.9 | 0 | 0 | 109.3 | ||||
| 220 | L | 44.1 | Very low | 36.9 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | 60.9 | 148.1 | 155.3 | -60.3 | 165.2 | 0 | 0 | 0 | 118.6 | ||||
| 221 | D | 39.9 | Very low | 37.2 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | cis | -153.7 | -178.3 | -3.1 | -143.6 | -20.7 | 0 | 0 | 0 | 113.1 | ||||
| 222 | L | 40.3 | Very low | 37.6 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -18.6 | 162.6 | 165.3 | -99.5 | 63 | 0 | 0 | 0 | 120.7 | ||||
| 223 | C | 38.9 | Very low | 38.1 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 68% | 0.676 | 75% | 0.746 | S | S | * | * | cis | -165.7 | 157.2 | 6.6 | 43 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 224 | H | 38.3 | Very low | 38 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | 27.7 | 157.1 | 138.1 | -56.6 | 106.2 | 0 | 0 | 0 | 124.5 | ||||
| 225 | A | 39.5 | Very low | 38.2 | Very low | 68 Ų | 68 | 141 Ų | 141 | 56% | 0.562 | 75% | 0.754 | S | S | * | * | cis | -179.3 | 162.6 | -21.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 226 | N | 36.7 | Very low | 38.1 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | 63.2 | 162.1 | 150.6 | -62.6 | -7.6 | 0 | 0 | 0 | 120.2 | ||||
| 227 | S | 35.5 | Very low | 38.1 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | cis | -171 | 175.3 | -24.7 | -90.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 228 | S | 39.6 | Very low | 37.8 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 77.7 | 159.8 | 157.7 | -60.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 229 | I | 40.3 | Very low | 37.7 | Very low | 138 Ų | 138 | 141 Ų | 141 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | 172.1 | 138.5 | -39.2 | -100.2 | 158.1 | 0 | 0 | 0 | 107.7 | ||||
| 230 | N | 38 | Very low | 37.7 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | 153.9 | 156.3 | 142.7 | -84.1 | -40.4 | 0 | 0 | 0 | 115.1 | ||||
| 231 | D | 36 | Very low | 37.4 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | -94.9 | 167.1 | -173.8 | -48 | -98.3 | 0 | 0 | 0 | 115 | ||||
| 232 | S | 39.8 | Very low | 37.2 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | 169 | 130.4 | 117.3 | -78.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 233 | I | 40.7 | Very low | 37.1 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | 74.3 | 159.1 | 135.3 | -62.8 | 171.5 | 0 | 0 | 0 | 119.5 | ||||
| 234 | K | 34.8 | Very low | 37 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | -100.1 | 159.3 | -169.8 | -42.6 | 163.3 | -178.6 | 173.2 | 0 | 111.7 | ||||
| 235 | E | 36.4 | Very low | 37 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | -173.6 | 170 | 119 | -107.6 | 174.6 | 179.6 | 0 | 0 | 112.6 | |||||
| 236 | E | 32.3 | Very low | 36.7 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | -93.7 | 142.4 | 178.3 | -60 | 175.1 | 103.6 | 0 | 0 | 111.4 | ||||
| 237 | N | 35.6 | Very low | 36.4 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | -179.6 | 156.4 | 118.4 | -105.5 | -79.9 | 0 | 0 | 0 | 116.3 | |||||
| 238 | N | 31.4 | Very low | 36.3 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -38.1 | 137.3 | 177.6 | -63.9 | -83.2 | 0 | 0 | 0 | 120.2 | ||||
| 239 | L | 36.8 | Very low | 36.1 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | -162.9 | 108.3 | 139.4 | -91.7 | 130.4 | 0 | 0 | 0 | 107.4 | ||||
| 240 | I | 37.8 | Very low | 35.6 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | 90.8 | 135.4 | 71.7 | -76.8 | 166.4 | 0 | 0 | 0 | 113.1 | |||||
| 241 | N | 36.3 | Very low | 35.5 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 70 | 149.3 | -178.3 | -58.7 | -31.2 | 0 | 0 | 0 | 115.5 | ||||
| 242 | N | 36.7 | Very low | 35.2 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | cis | -173.8 | 153.8 | -19.2 | -102.6 | -19.5 | 0 | 0 | 0 | 106.8 | ||||
| 243 | S | 37.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -157.9 | -171.1 | -11.6 | -60.6 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 244 | A | 37 | Very low | 34.3 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | cis | -169.1 | 178 | -7.5 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 245 | L | 37.7 | Very low | 34.3 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | cis | -168.2 | 156.4 | -34.3 | -87.1 | 173.8 | 0 | 0 | 0 | 103.1 | ||||
| 246 | T | 33.7 | Very low | 34.1 | Very low | 105 Ų | 105 | 133 Ų | 133 | 64% | 0.644 | 74% | 0.743 | S | S | * | * | cis | -153.3 | 155.1 | 9.8 | -3.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 247 | N | 30.2 | Very low | 34 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | 26.9 | 147.8 | 123 | -52.6 | 15.3 | 0 | 0 | 0 | 120.3 | |||||
| 248 | D | 34 | Very low | 33.8 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | cis | -152 | 152.2 | 33.5 | -129.3 | -47.2 | 0 | 0 | 0 | 117.6 | ||||
| 249 | S | 34.4 | Very low | 33.7 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 40.2 | 133.8 | 147.3 | -68.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 250 | I | 31.1 | Very low | 33.5 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -79 | 129.5 | 167.3 | -61.4 | 158.3 | 0 | 0 | 0 | 110.7 | ||||
| 251 | I | 35 | Very low | 33.1 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -137.6 | 137.9 | 156.8 | -69.8 | -171.6 | 0 | 0 | 0 | 110 | ||||
| 252 | H | 29.9 | Very low | 33 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -77.6 | 131.7 | 167.9 | -95.7 | 63.9 | 0 | 0 | 0 | 110.6 | ||||
| 253 | G | 30.1 | Very low | 32.9 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -162.1 | 141.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 254 | N | 31.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -107.1 | -179.3 | 176.4 | 68.4 | -8.1 | 0 | 0 | 0 | 111.8 | ||||
| 255 | N | 34.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | trans | 78.1 | 102.3 | 169.7 | -53.7 | -26.1 | 0 | 0 | 0 | 118.1 | ||||
| 256 | N | 31.6 | Very low | 32.3 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | 69.6 | 131.3 | 123.3 | -52.9 | -15.8 | 0 | 0 | 0 | 121.4 | |||||
| 257 | N | 30 | Very low | 32.3 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | 48 | 96 | 151.4 | -66.5 | 6.6 | 0 | 0 | 0 | 118.8 | ||||
| 258 | I | 32.6 | Very low | 32.3 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -122 | 139.8 | 146.9 | -65.7 | -176.8 | 0 | 0 | 0 | 108.8 | ||||
| 259 | V | 29.2 | Very low | 32.2 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -85.3 | 147.4 | -175.6 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 260 | V | 31.6 | Very low | 32 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -116.7 | 135.9 | 165.4 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 261 | E | 30 | Very low | 32.1 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -64.5 | 143.8 | -166.1 | -65.7 | 168.4 | 94.3 | 0 | 0 | 114.9 | I263 | E261-I263 HydrophobicContact CB-CG1 4.27Š| ||
| 262 | V | 33.4 | Very low | 32 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -106.9 | 106.2 | 153.4 | 175.2 | 0 | 0 | 0 | 0 | 107.6 | G264 | V262-G264 PolarHBondContact O-N 3.21Š| ||
| 263 | I | 35.8 | Very low | 32.2 | Very low | 151 Ų | 151 | 133 Ų | 133 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | -82.7 | 98.5 | 173.7 | -59.6 | 178.1 | 0 | 0 | 0 | 108.1 | E261 | E261-I263 HydrophobicContact CB-CG1 4.27Š| ||
| 264 | G | 33.5 | Very low | 32.1 | Very low | 62 Ų | 62 | 136.8 Ų | 136.8 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | -171.2 | 78.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V262 | V262-G264 PolarHBondContact O-N 3.21Š| ||
| 265 | T | 33.8 | Very low | 32.2 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -76.7 | 123.4 | -162.5 | 52.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 266 | T | 32.8 | Very low | 31.8 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -150.6 | 153.8 | 133.1 | 6.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 267 | T | 32.8 | Very low | 31.9 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -114.3 | 139.1 | -154 | 50.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 268 | L | 30.1 | Very low | 32 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 52.8 | 143.8 | 134.6 | -54.6 | 170.7 | 0 | 0 | 0 | 118.4 | ||||
| 269 | T | 32.9 | Very low | 32.1 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | cis | -143.9 | 154.1 | 34.8 | 45 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 270 | S | 29.3 | Very low | 32.2 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -89.8 | 158.2 | 164.2 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 271 | N | 32.8 | Very low | 32.6 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -160 | 121.2 | 144.8 | -101.3 | -29 | 0 | 0 | 0 | 108.8 | ||||
| 272 | A | 32.8 | Very low | 32.8 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -101.3 | 150.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 273 | N | 34.2 | Very low | 33.1 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -149.4 | 134.5 | 155.1 | -101.2 | -35.5 | 0 | 0 | 0 | 109.3 | ||||
| 274 | I | 29.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -109.8 | 122.5 | -175.6 | -59 | 168.6 | 0 | 0 | 0 | 108.2 | ||||
| 275 | T | 33 | Very low | 33.1 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -143.6 | 124.6 | 155.8 | -50.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 276 | A | 26.8 | Very low | 33.2 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -110.1 | 128.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 277 | T | 34.2 | Very low | 33.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -136.3 | 114.2 | 175.3 | -48.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 278 | T | 30.2 | Very low | 33.4 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -73 | 147.2 | 168.1 | 41.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 279 | N | 35.7 | Very low | 33.7 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -157.9 | 131.2 | 151.9 | -106.4 | -36.5 | 0 | 0 | 0 | 111.2 | ||||
| 280 | S | 31.8 | Very low | 33.8 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -107.1 | 134.2 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 281 | N | 38.5 | Very low | 34.5 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | -174.3 | 109.7 | 154.7 | -88.5 | -37.4 | 0 | 0 | 0 | 106.2 | ||||
| 282 | I | 36 | Very low | 35.8 | Very low | 150 Ų | 150 | 140 Ų | 140 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 56.9 | 105.1 | 68.6 | -54.2 | 175.9 | 0 | 0 | 0 | 112.1 | |||||
| 283 | V | 39.7 | Very low | 37.1 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | -166 | 132.6 | 128 | 142.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 284 | N | 31.8 | Very low | 37.6 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -73 | 147.1 | 173.4 | -77.6 | -22.3 | 0 | 0 | 0 | 111.8 | ||||
| 285 | R | 37.5 | Very low | 38.5 | Very low | 250 Ų | 250 | 138.4 Ų | 138.4 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -139.7 | 138.7 | 135.1 | -75.5 | -157.4 | 173.7 | 179.5 | -0.3 | 111.8 | ||||
| 286 | T | 34.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -107.7 | 136.3 | -176.7 | 47.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 287 | N | 34.6 | Very low | 40 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 174.8 | 106.7 | 142 | -93 | -9.6 | 0 | 0 | 0 | 108.8 | ||||
| 288 | T | 36.1 | Very low | 40.8 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 69% | 0.693 | 79% | 0.785 | S | S | * | * | 78 | 122.4 | 83.8 | 59.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 289 | S | 37 | Very low | 41.4 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 68.4 | 95.6 | 148 | -54.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 290 | Q | 34.4 | Very low | 41.5 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | -156.3 | 149.5 | 118 | -113.5 | 174.7 | 11.9 | 0 | 0 | 112.5 | |||||
| 291 | L | 43.6 | Very low | 41.8 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -104.3 | 143.1 | 179.4 | -77.4 | 145.2 | 0 | 0 | 0 | 110.1 | ||||
| 292 | P | 60.9 | Low | 41.6 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 145.3 | 157 | -15.7 | 30.8 | 0 | 0 | 0 | 110.3 | ||
| 293 | P | 59 | Low | 41.6 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 144.5 | -170.3 | 30.6 | -35.8 | 0 | 0 | 0 | 113.7 | ||
| 294 | P | 44.5 | Very low | 41.5 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.4 | 161.5 | 32.7 | -32.5 | 0 | 0 | 0 | 110.2 | ||
| 295 | I | 49.4 | Very low | 41.5 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -119.1 | 139 | -178.9 | -68.5 | -178.8 | 0 | 0 | 0 | 108.8 | ||||
| 296 | P | 49.8 | Very low | 41.5 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 164.3 | -148.4 | 35.7 | -37.8 | 0 | 0 | 0 | 115.3 | P298 | P296-P298 WeakPolarHBondContact O-CD 3.26Š|
| 297 | P | 40.6 | Very low | 41.6 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 127.8 | 175.3 | 30.5 | -34.3 | 0 | 0 | 0 | 112.5 | ||
| 298 | P | 51.6 | Low | 41.6 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 148.5 | 164.7 | -11.8 | 28.7 | 0 | 0 | 0 | 111.2 | P296 | P296-P298 WeakPolarHBondContact O-CD 3.26Š|
| 299 | Q | 42.7 | Very low | 41.6 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82 | 165.2 | -179.7 | -68.6 | 168.9 | -62.8 | 0 | 0 | 113.1 | ||
| 300 | Q | 37.7 | Very low | 41.5 | Very low | 191 Ų | 191 | 150.3 Ų | 150.3 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -26.8 | 125 | 171.4 | -61.8 | 168.5 | -21 | 0 | 0 | 116 | ||||
| 301 | Q | 37.8 | Very low | 41.5 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -136 | 118.6 | 143.5 | -157.9 | 167.8 | 23.4 | 0 | 0 | 109.6 | ||||
| 302 | Q | 35 | Very low | 41 | Very low | 180 Ų | 180 | 152 Ų | 152 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 124.3 | 178.2 | -67.6 | 174.7 | -18.9 | 0 | 0 | 110.1 | ||||
| 303 | S | 35.5 | Very low | 39.7 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -178.8 | 155.3 | 145.7 | -88.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 304 | Q | 36.7 | Very low | 38.5 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | 58.4 | 67.3 | 165.7 | -60.1 | -164.4 | 73 | 0 | 0 | 117.4 | ||||
| 305 | I | 32.6 | Very low | 38.1 | Very low | 167 Ų | 167 | 156.9 Ų | 156.9 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -62.5 | 154.2 | 141.5 | -60.3 | 165.8 | 0 | 0 | 0 | 108.3 | ||||
| 306 | H | 37.2 | Very low | 37.3 | Very low | 142 Ų | 142 | 157 Ų | 157 | 66% | 0.657 | 82% | 0.819 | S | S | * | * | trans | 99.7 | 56.1 | 161.8 | -147.4 | 104.8 | 0 | 0 | 0 | 119.1 | ||||
| 307 | T | 36.8 | Very low | 36.5 | Very low | 137 Ų | 137 | 161 Ų | 161 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -139.4 | 109.9 | 157.7 | -45.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 308 | S | 35.4 | Very low | 36.2 | Very low | 124 Ų | 124 | 163.5 Ų | 163.5 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | S | Bend | trans | 170.8 | -16.5 | 162.5 | -96.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 309 | K | 34.5 | Very low | 35.5 | Very low | 200 Ų | 200 | 162.6 Ų | 162.6 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -119.3 | 49.1 | 175.9 | -71.8 | -161.5 | 172.7 | -165.8 | 0 | 112.9 | ||
| 310 | Q | 35.5 | Very low | 35 | Very low | 124 Ų | 124 | 162.8 Ų | 162.8 | 58% | 0.579 | 83% | 0.827 | S | S | * | * | trans | -146.9 | 83.1 | 172 | -79.4 | -61 | -10 | 0 | 0 | 110.5 | ||||
| 311 | Y | 33.8 | Very low | 34.9 | Very low | 236 Ų | 236 | 161.4 Ų | 161.4 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -150 | 35.3 | 169.6 | -119.6 | -78.3 | 0 | 0 | 0 | 113 | ||||
| 312 | L | 33.4 | Very low | 34.7 | Very low | 163 Ų | 163 | 157.9 Ų | 157.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -134.1 | 28 | 178.8 | -156.9 | 116 | 0 | 0 | 0 | 113.4 | ||
| 313 | V | 34 | Very low | 34.5 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -139.2 | 41.3 | 177.9 | -156.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 314 | Q | 33.3 | Very low | 34.5 | Very low | 181 Ų | 181 | 160.5 Ų | 160.5 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -144.4 | 24.6 | 178.4 | -155.6 | 94.3 | 59 | 0 | 0 | 114.7 | ||
| 315 | T | 36.8 | Very low | 34.5 | Very low | 140 Ų | 140 | 156.1 Ų | 156.1 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -130.7 | 48.9 | 174.8 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 316 | N | 32.9 | Very low | 34.5 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -133.7 | 149.6 | 164.9 | -99.6 | -40.5 | 0 | 0 | 0 | 108.6 | ||||
| 317 | Q | 31.6 | Very low | 34.2 | Very low | 189 Ų | 189 | 155.6 Ų | 155.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | 76.9 | 59.3 | -174.6 | -50.3 | -170.9 | 103 | 0 | 0 | 117.4 | ||||
| 318 | L | 35 | Very low | 34.1 | Very low | 172 Ų | 172 | 157 Ų | 157 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -167.3 | 126.7 | 145.3 | -124 | 73.9 | 0 | 0 | 0 | 105.4 | ||||
| 319 | T | 37.5 | Very low | 33.9 | Very low | 107 Ų | 107 | 158.6 Ų | 158.6 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | cis | -142 | 128.4 | 9.1 | 44.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 320 | H | 31.1 | Very low | 33.6 | Very low | 191 Ų | 191 | 153.5 Ų | 153.5 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | -96.9 | 138.4 | 158.7 | -79 | -88.4 | 0 | 0 | 0 | 109.3 | ||||
| 321 | H | 36.6 | Very low | 33.5 | Very low | 162 Ų | 162 | 153 Ų | 153 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | 104.6 | 133.8 | -168.8 | 90.6 | -83 | 0 | 0 | 0 | 112.2 | ||||
| 322 | T | 32.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | cis | -142.7 | 144.7 | 2.4 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 323 | L | 31.7 | Very low | 33.3 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -113.1 | 129.3 | 162.8 | -82.3 | 168.6 | 0 | 0 | 0 | 109.6 | ||||
| 324 | Q | 34 | Very low | 33.2 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -177.7 | 150.1 | 141.7 | -110.5 | 172.9 | 7.2 | 0 | 0 | 114.7 | ||||
| 325 | S | 37.6 | Very low | 33.2 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | 70.4 | 136.3 | 153.4 | -57.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 326 | T | 33.2 | Very low | 33 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | cis | -159.6 | 164 | -14.1 | 15.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 327 | H | 31.5 | Very low | 33 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -47.8 | 157.9 | 173.4 | -42.9 | -93.1 | 0 | 0 | 0 | 114.4 | ||||
| 328 | Q | 33.1 | Very low | 33.2 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | -174.1 | 159.3 | 78.2 | -91.8 | -153.9 | 80.1 | 0 | 0 | 116.5 | |||||
| 329 | L | 31.5 | Very low | 33 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 80.2 | 153.9 | 153.3 | -73.3 | 162.5 | 0 | 0 | 0 | 121.8 | ||||
| 330 | S | 29.5 | Very low | 32.9 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | -106.2 | -170.8 | -166.4 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 331 | T | 31.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | cis | -170 | 153.4 | 35.9 | -27.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 332 | V | 30.6 | Very low | 32.6 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 29.2 | 134 | 160.1 | -66.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 333 | L | 33.8 | Very low | 32.9 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -166.3 | 148.8 | 72.1 | -92.6 | 172.4 | 0 | 0 | 0 | 115.2 | |||||
| 334 | S | 31.9 | Very low | 33.2 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -11.5 | 142.2 | 160.9 | -47.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 335 | G | 31.6 | Very low | 33.4 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 153.6 | 134.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 336 | G | 34.3 | Very low | 33.5 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | 97.4 | 95.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 337 | T | 32.8 | Very low | 33.7 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -71.9 | 145.2 | 169.4 | 40.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 338 | N | 35.5 | Very low | 34.2 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | -158.7 | 164.5 | 125.9 | -118.3 | -71.1 | 0 | 0 | 0 | 113.1 | |||||
| 339 | V | 31.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | trans | -132.5 | 131.7 | -160.4 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 340 | Q | 33.9 | Very low | 34.7 | Very low | 202 Ų | 202 | 127.3 Ų | 127.3 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -166.1 | 153.9 | 139.7 | -108.8 | 159.4 | -11.7 | 0 | 0 | 111.7 | ||||
| 341 | A | 30.5 | Very low | 35.1 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -112.4 | 148.6 | -160.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 342 | A | 32.2 | Very low | 35.3 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -153.9 | 74.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 343 | T | 38.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -143.2 | 101 | 168.5 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 344 | G | 36.9 | Very low | 35.8 | Very low | 86 Ų | 86 | 135 Ų | 135 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -103.1 | 109.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 345 | I | 38.9 | Very low | 36.2 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -106.9 | 126.8 | 176 | -61.5 | 177.2 | 0 | 0 | 0 | 108 | ||||
| 346 | S | 40.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -88.5 | 112.7 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | Q348 | S346-Q348 PolarHBondContact O-N 2.87Š| ||
| 347 | V | 36.9 | Very low | 36.4 | Very low | 135 Ų | 135 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -80.8 | 108.9 | 168.2 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 348 | Q | 41.6 | Very low | 36.4 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 150.1 | 164.4 | -84.2 | -179.1 | -41.4 | 0 | 0 | 110.6 | S346 | S346-Q348 PolarHBondContact O-N 2.87Š|
| 349 | Q | 40.2 | Very low | 36.2 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 117.8 | -158.7 | -173.3 | 174.2 | -7 | 0 | 0 | 112.2 | N351 | Q349-N351 PolarHBondContact O-N 2.95Š|
| 350 | I | 36.2 | Very low | 36.5 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 124.1 | 172.3 | -60.1 | 171.2 | 0 | 0 | 0 | 108.9 | M352 | I350-M352 HydrophobicContact CG2-CG 4.18Š|
| 351 | N | 35.9 | Very low | 36.6 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -108.6 | 77.7 | 179.8 | -177 | 12.9 | 0 | 0 | 0 | 111.1 | Q349 | Q349-N351 PolarHBondContact O-N 2.95Š| ||
| 352 | M | 36.7 | Very low | 36.9 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -98.3 | 101.8 | 166.4 | -74.7 | -175.2 | 69.6 | 0 | 0 | 109.7 | I350 N354 | I350-M352 HydrophobicContact CG2-CG 4.18Å; M352-N354 PolarHBondContact O-N 3.44Å | ||
| 353 | K | 40.2 | Very low | 37.3 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -75.1 | 107.2 | 168.4 | -73.4 | -178.4 | 178.1 | 177.1 | 0 | 109.9 | ||||
| 354 | N | 34.9 | Very low | 37.2 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -139.5 | 129.5 | 152.7 | -134.1 | 5.5 | 0 | 0 | 0 | 107 | M352 | M352-N354 PolarHBondContact O-N 3.44Š| ||
| 355 | V | 39.8 | Very low | 37.5 | Very low | 138 Ų | 138 | 145 Ų | 145 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -133.3 | 141.6 | -177.7 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 356 | D | 36.3 | Very low | 37.6 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 65% | 0.652 | 79% | 0.789 | S | S | * | * | trans | -71.5 | 151.1 | -156.7 | -76.8 | -87.5 | 0 | 0 | 0 | 118.5 | ||||
| 357 | Q | 34.1 | Very low | 37.9 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | 32.4 | 120.1 | 131.6 | -51 | 170.6 | 53.3 | 0 | 0 | 118.7 | ||||
| 358 | K | 32.9 | Very low | 38.2 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | -157.8 | 122 | 111.8 | -160 | 164.6 | -175.4 | 172.4 | 0 | 112 | |||||
| 359 | S | 31 | Very low | 38.8 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -138.4 | 134.5 | 169.2 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 360 | Q | 38 | Very low | 39.5 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | trans | -159 | 143.8 | 175.6 | -151.4 | 174.1 | 25.3 | 0 | 0 | 110 | ||||
| 361 | F | 37.1 | Very low | 39.7 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 66.9 | 134.3 | -176.4 | -49.5 | -81.6 | 0 | 0 | 0 | 115.4 | ||||
| 362 | G | 36.1 | Very low | 40.2 | Very low | 62 Ų | 62 | 143.1 Ų | 143.1 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | cis | 173.6 | 156.1 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 363 | S | 40.3 | Very low | 40.7 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | 63.4 | 139.3 | 178.3 | 67.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 364 | G | 38 | Very low | 40.8 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | 176.6 | 171.1 | -10.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 365 | L | 43.2 | Very low | 41.3 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 80.2 | 65.5 | 160.4 | -51.5 | -177.8 | 0 | 0 | 0 | 121 | ||||
| 366 | S | 40.7 | Very low | 41.4 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | 54.1 | 173.5 | 104.4 | -31.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 367 | P | 46.7 | Very low | 41.8 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | -136.6 | -166.9 | -124.3 | 35.6 | -9.5 | 0 | 0 | 0 | 116.1 | |||||
| 368 | I | 42.5 | Very low | 42.5 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | 166.6 | 137.2 | 141 | -88 | 154.2 | 0 | 0 | 0 | 112.8 | ||||
| 369 | P | 55 | Low | 43.2 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -121.9 | 159.1 | 163.6 | 39.8 | -29.7 | 0 | 0 | 0 | 114.1 | ||||
| 370 | P | 53.4 | Low | 44 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -155.9 | 150.1 | 136.6 | 36.5 | -17.3 | 0 | 0 | 0 | 119.9 | ||||
| 371 | N | 41.4 | Very low | 44.2 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 69.5 | 153 | 140.8 | -84.1 | -31.7 | 0 | 0 | 0 | 127.2 | ||||
| 372 | K | 45.3 | Very low | 44.4 | Very low | 193 Ų | 193 | 127.8 Ų | 127.8 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -96.1 | 161.9 | 172.4 | -64.5 | 174.3 | 172.9 | 173.7 | 0 | 111.1 | ||||
| 373 | P | 48.9 | Very low | 44.8 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | -144.1 | -169.5 | 74.3 | 35.1 | -13.6 | 0 | 0 | 0 | 113.5 | |||||
| 374 | G | 42 | Very low | 44.9 | Very low | 64 Ų | 64 | 128 Ų | 128 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | cis | 160.6 | 163.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 375 | R | 44.3 | Very low | 45.2 | Very low | 265 Ų | 265 | 131.2 Ų | 131.2 | 100% | 1 | 81% | 0.806 | S | S | * | * | trans | 68.4 | 152.8 | -170.7 | -62.5 | 178.1 | 165.6 | -178.8 | -5.2 | 114.6 | ||||
| 376 | G | 42.6 | Very low | 45.1 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | 137.9 | 142.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 377 | G | 44.1 | Very low | 45.1 | Very low | 53 Ų | 53 | 127.8 Ų | 127.8 | 55% | 0.546 | 81% | 0.806 | S | S | . | * | cis | 171.4 | -175.3 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 378 | H | 50.1 | Low | 44.8 | Very low | 185 Ų | 185 | 126 Ų | 126 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 69.9 | 160.3 | 167.5 | -28 | -65.4 | 0 | 0 | 0 | 115.1 | ||||
| 379 | S | 47.4 | Very low | 44.5 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | cis | -174.3 | 150.9 | -12.3 | -111.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 380 | R | 47.7 | Very low | 43.6 | Very low | 245 Ų | 245 | 128.7 Ų | 128.7 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | cis | -130.9 | -154.6 | 6 | -90.3 | 155 | 174 | 162.6 | -3.1 | 107.3 | ||||
| 381 | G | 41.8 | Very low | 43.2 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | cis | 120.2 | 139.9 | 8.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 382 | G | 41.9 | Very low | 43.4 | Very low | 66 Ų | 66 | 125.5 Ų | 125.5 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | cis | 171.2 | 162.8 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 383 | S | 44.3 | Very low | 43.2 | Very low | 137 Ų | 137 | 126 Ų | 126 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | 61.5 | 151.9 | 174.9 | 63.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 384 | G | 41.3 | Very low | 42.7 | Very low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | cis | 166.1 | 157 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 385 | S | 45 | Very low | 42.6 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 97% | 0.965 | 81% | 0.808 | S | S | * | * | trans | 64.8 | 154.7 | 175.4 | -57.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 386 | G | 39.9 | Very low | 42.4 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | cis | 158 | 142.8 | -11.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 387 | S | 41.2 | Very low | 42.3 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 100% | 1 | 79% | 0.791 | S | S | * | * | trans | 67.8 | 152.4 | 169.5 | -58.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 388 | G | 40.1 | Very low | 42 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 146.7 | 77.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 389 | R | 36.6 | Very low | 41.6 | Very low | 256 Ų | 256 | 125.9 Ų | 125.9 | 97% | 0.966 | 78% | 0.784 | S | S | * | * | trans | -61.3 | 141.9 | 172.8 | -73 | 168.1 | 161.4 | 167.6 | -8.2 | 111.9 | ||||
| 390 | G | 36 | Very low | 41.2 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -87.6 | -167.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 391 | S | 46.1 | Very low | 40.8 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -165.8 | 151.4 | 169 | -84.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 392 | S | 44.6 | Very low | 40.7 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 48.2 | 121.2 | 147.2 | -64.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 393 | K | 41.1 | Very low | 40.6 | Very low | 202 Ų | 202 | 131 Ų | 131 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | 56.6 | 129.4 | 84.3 | -70.9 | 177.7 | 172 | 174 | 0 | 112.3 | |||||
| 394 | K | 38.6 | Very low | 40.1 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | 180 | 159 | 50.9 | -175.1 | -178.3 | 165.7 | -176.1 | 0 | 110.9 | |||||
| 395 | A | 40.5 | Very low | 40.1 | Very low | 74 Ų | 74 | 135 Ų | 135 | 61% | 0.612 | 79% | 0.789 | S | S | * | * | trans | 69.7 | 125.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 396 | S | 40.6 | Very low | 39.8 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 87.2 | 148.5 | 90.3 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 397 | Q | 38.9 | Very low | 39.7 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | cis | -172.5 | 157.3 | -4.8 | 150.1 | 178.8 | -14.1 | 0 | 0 | 107.9 | ||||
| 398 | D | 38.6 | Very low | 39.6 | Very low | 113 Ų | 113 | 141 Ų | 141 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | trans | 66.1 | 161.1 | 163.2 | -73.7 | -13.1 | 0 | 0 | 0 | 117.7 | ||||
| 399 | Q | 41.8 | Very low | 39.5 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 64% | 0.64 | 76% | 0.764 | S | S | * | * | cis | -156.1 | 167 | -5.6 | -121.6 | 166.9 | 55.1 | 0 | 0 | 112.6 | ||||
| 400 | F | 38.5 | Very low | 39.6 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 22.2 | 125.6 | 157.7 | -60.1 | -64 | 0 | 0 | 0 | 123.3 | ||||
| 401 | R | 39.1 | Very low | 39.7 | Very low | 229 Ų | 229 | 145.7 Ų | 145.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | 177.6 | 130.4 | 106.1 | -94.6 | 171.4 | 179.9 | -160.6 | -1.9 | 109.9 | |||||
| 402 | S | 40.1 | Very low | 39.1 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | 62.8 | 128 | 83.4 | -49 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 403 | G | 39.2 | Very low | 38.7 | Very low | 83 Ų | 83 | 155 Ų | 155 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | cis | -165.7 | -162.5 | 5.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 404 | S | 35.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -112 | 150.5 | -163.5 | 51.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 405 | Q | 39.9 | Very low | 38.7 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -171.5 | 132.1 | 146 | -101.4 | 159.9 | 70.8 | 0 | 0 | 108 | ||||
| 406 | Q | 39.5 | Very low | 38.7 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | 62.6 | 138.4 | 80.1 | -67 | -170.6 | 13.9 | 0 | 0 | 114.1 | |||||
| 407 | Q | 37.9 | Very low | 39 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -164 | 165.3 | -15.2 | -166.7 | -175.9 | 71.3 | 0 | 0 | 108.2 | ||||
| 408 | Q | 38 | Very low | 39.5 | Very low | 150 Ų | 150 | 150 Ų | 150 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | 71.7 | 156.4 | 179.6 | -46.1 | -171.7 | 11.2 | 0 | 0 | 113.3 | ||||
| 409 | Q | 38.6 | Very low | 39.8 | Very low | 143 Ų | 143 | 151.1 Ų | 151.1 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | cis | -151.3 | 140.1 | 17.4 | -151.6 | 166.8 | 81.2 | 0 | 0 | 112.6 | ||||
| 410 | Q | 39.3 | Very low | 40.6 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | trans | 61.3 | 117.3 | 149.6 | -75.5 | 179.9 | 56.5 | 0 | 0 | 124.6 | ||||
| 411 | R | 38.3 | Very low | 40.5 | Very low | 206 Ų | 206 | 148.7 Ų | 148.7 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | 85.9 | 108.9 | 123.6 | -61.8 | -86.4 | -95.2 | -130.4 | -8 | 121.8 | |||||
| 412 | R | 33 | Very low | 40.4 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 48.6 | 122 | 139.4 | -70.4 | -172.4 | 175.5 | -169.2 | -1 | 119.9 | ||||
| 413 | F | 36.8 | Very low | 40.3 | Very low | 205 Ų | 205 | 153.6 Ų | 153.6 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | -131.7 | 144.9 | 121.3 | -85.4 | -77.3 | 0 | 0 | 0 | 110.7 | |||||
| 414 | S | 36.5 | Very low | 40.8 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -143.5 | 116 | 174.6 | -53.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 415 | L | 42.6 | Very low | 40.8 | Very low | 175 Ų | 175 | 156.9 Ų | 156.9 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -97.7 | 102 | -175.6 | -73.3 | 169.3 | 0 | 0 | 0 | 109.8 | ||||
| 416 | S | 40.1 | Very low | 40.7 | Very low | 103 Ų | 103 | 153.2 Ų | 153.2 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -107.7 | 141.6 | 161.5 | -56.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 417 | P | 48 | Very low | 40.8 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 135.7 | -174.7 | 28.5 | -34.5 | 0 | 0 | 0 | 111.7 | ||
| 418 | P | 47.7 | Very low | 40.7 | Very low | 122 Ų | 122 | 151 Ų | 151 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 127.6 | 176.9 | 32.3 | -32.1 | 0 | 0 | 0 | 111.9 | P420 | P418-P420 WeakPolarHBondContact O-CD 3.46Š|
| 419 | V | 45.1 | Very low | 41 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -94 | 117 | 164.4 | 179 | 0 | 0 | 0 | 0 | 109 | ||
| 420 | P | 58.8 | Low | 41 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -95.1 | 100.3 | 174.3 | 32.6 | -26 | 0 | 0 | 0 | 110.9 | P418 | P418-P420 WeakPolarHBondContact O-CD 3.46Š| ||
| 421 | N | 36.8 | Very low | 41 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -124.1 | 104.1 | 166.3 | -178.4 | 2.1 | 0 | 0 | 0 | 110.2 | ||||
| 422 | R | 38.2 | Very low | 41.2 | Very low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -168 | 139.2 | 158 | -111.6 | 166 | -161.8 | -120 | 1.5 | 112.8 | ||||
| 423 | Y | 36.3 | Very low | 41.7 | Very low | 209 Ų | 209 | 137 Ų | 137 | 82% | 0.82 | 81% | 0.813 | S | S | * | * | trans | -69.4 | 147.5 | 172.2 | -64.8 | -103.8 | 0 | 0 | 0 | 112.6 | ||||
| 424 | P | 50.9 | Low | 42 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -93 | 140.3 | 147.1 | 34.5 | -27.9 | 0 | 0 | 0 | 111 | ||||
| 425 | V | 35.2 | Very low | 42.2 | Very low | 139 Ų | 139 | 130 Ų | 130 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -136.1 | 109.2 | 170.5 | 173.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 426 | A | 38.4 | Very low | 42.1 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 170.5 | 160.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 427 | P | 40.9 | Very low | 42.2 | Very low | 133 Ų | 133 | 124 Ų | 124 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | cis | -122.9 | -175.8 | -27.2 | 34.4 | -16.9 | 0 | 0 | 0 | 112.2 | ||||
| 428 | N | 36.1 | Very low | 42 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -117.8 | 138.2 | -178.7 | 171.8 | 17.3 | 0 | 0 | 0 | 111.1 | ||||
| 429 | V | 42.7 | Very low | 41.6 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | trans | -155.8 | 114.3 | 160.8 | -97.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 430 | G | 39.5 | Very low | 41.5 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 72.8 | 150.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 431 | A | 40.2 | Very low | 40.8 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | cis | -168.1 | 168.7 | -9.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 432 | V | 41 | Very low | 40.8 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | cis | -162.9 | 158.9 | -2.2 | 95.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 433 | S | 43.5 | Very low | 40.9 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | cis | -152.1 | 173.9 | 0.5 | -132.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 434 | G | 43.7 | Very low | 40.9 | Very low | 77 Ų | 77 | 118.8 Ų | 118.8 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | cis | 142 | 64.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 435 | G | 40.5 | Very low | 40.2 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 178.8 | 136.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 436 | G | 40.3 | Very low | 40.4 | Very low | 80 Ų | 80 | 121.8 Ų | 121.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | 177 | 136.9 | -10.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 437 | G | 42.4 | Very low | 40.3 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 76.3 | 155.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 438 | I | 43.5 | Very low | 40.4 | Very low | 171 Ų | 171 | 125.9 Ų | 125.9 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | cis | -160 | 162.4 | -13.9 | 9.3 | 170.9 | 0 | 0 | 0 | 106.9 | ||||
| 439 | S | 40.9 | Very low | 40.5 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | cis | -153.1 | -160.8 | 7.3 | -155.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 440 | S | 42.4 | Very low | 40.2 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | trans | -74 | 173 | 179.4 | -49.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 441 | H | 43.4 | Very low | 40 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | cis | -140.9 | 144 | 17.9 | -58.7 | -104.5 | 0 | 0 | 0 | 110.4 | ||||
| 442 | R | 37.1 | Very low | 39.8 | Very low | 198 Ų | 198 | 129 Ų | 129 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | 66 | 128.8 | 68.4 | -124.5 | -163 | -101 | -157.9 | 0.6 | 113.1 | |||||
| 443 | F | 39.2 | Very low | 39.4 | Very low | 169 Ų | 169 | 126.4 Ų | 126.4 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | cis | -152 | 158.7 | 39.1 | -92.9 | -92.7 | 0 | 0 | 0 | 117.1 | ||||
| 444 | A | 38.2 | Very low | 39 | Very low | 83 Ų | 83 | 128.6 Ų | 128.6 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | trans | 21.9 | 132.2 | 145 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 445 | L | 35.4 | Very low | 38.3 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | 82.6 | 108.4 | 52.2 | -88 | 166.5 | 0 | 0 | 0 | 116.5 | |||||
| 446 | N | 38.6 | Very low | 38 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | -166 | 159.3 | 117.4 | -106.4 | -28 | 0 | 0 | 0 | 115.1 | |||||
| 447 | R | 36.9 | Very low | 37.9 | Very low | 212 Ų | 212 | 143.3 Ų | 143.3 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -124.4 | 172.7 | 176.2 | -159.5 | 154.5 | 178.5 | -123.3 | -1.2 | 105.3 | ||||
| 448 | P | 44.2 | Very low | 37.4 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | cis | -157.2 | 178.2 | 33.9 | 46 | -22.5 | 0 | 0 | 0 | 122 | ||||
| 449 | Q | 37.6 | Very low | 37 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 39 | 122.5 | 143.7 | -70.6 | 168.4 | -22.1 | 0 | 0 | 120.7 | ||||
| 450 | S | 36.7 | Very low | 36.5 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | -162.6 | 171.8 | 91.3 | -159.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 451 | A | 34.8 | Very low | 36 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -101.7 | 162.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 452 | V | 35.8 | Very low | 35.5 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | -172.5 | 155.5 | 129.3 | 141.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 453 | A | 31.7 | Very low | 35.4 | Very low | 80 Ų | 80 | 144.8 Ų | 144.8 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | -86.2 | 152.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 454 | Q | 34.9 | Very low | 35.3 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -150.3 | 164.8 | 145.3 | -95.1 | -43.8 | -43.2 | 0 | 0 | 112.9 | ||||
| 455 | R | 30.3 | Very low | 35 | Very low | 212 Ų | 212 | 144.3 Ų | 144.3 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -57.7 | 156.3 | 171.4 | -45.2 | 150.3 | 178.9 | -170.2 | -1.8 | 111.6 | ||||
| 456 | Y | 34.5 | Very low | 35.4 | Very low | 224 Ų | 224 | 141.9 Ų | 141.9 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | trans | -143.3 | 155.9 | 139.9 | -92.4 | -75 | 0 | 0 | 0 | 111.3 | ||||
| 457 | P | 37.8 | Very low | 35.3 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | trans | -115.7 | -151.8 | -168.2 | 45.2 | -33.1 | 0 | 0 | 0 | 112.7 | ||||
| 458 | S | 30.7 | Very low | 35.4 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -60.7 | 165.3 | -178.8 | -35.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 459 | T | 36.2 | Very low | 35 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 67.7 | 109.4 | 152.5 | 50.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 460 | S | 30.4 | Very low | 35.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | 64.1 | 113.2 | 122.3 | -47.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 461 | S | 32.3 | Very low | 35.1 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -165.8 | 118 | 141 | -76.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 462 | I | 32.5 | Very low | 35.1 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | 56 | 112 | 87.4 | -58 | 174.4 | 0 | 0 | 0 | 112.9 | |||||
| 463 | Y | 34.1 | Very low | 35.2 | Very low | 223 Ų | 223 | 139 Ų | 139 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | trans | -145.3 | 150.5 | 158.8 | -170 | -96 | 0 | 0 | 0 | 108.9 | ||||
| 464 | T | 37.3 | Very low | 35.6 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 64% | 0.638 | 77% | 0.768 | S | S | * | * | trans | -126.5 | 149.8 | -168.2 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 465 | D | 32.4 | Very low | 35.9 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -64.6 | 158.6 | 172.7 | -178 | 55.8 | 0 | 0 | 0 | 113.2 | A467 | D465-A467 PolarHBondContact OD1-N 3.22Å; D465-A467 PolarHBondContact OD2-N 2.82Å | ||
| 466 | P | 43.1 | Very low | 36.4 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | -145.3 | 118 | 119 | 34.9 | -18.1 | 0 | 0 | 0 | 116.8 | |||||
| 467 | A | 38 | Very low | 36.6 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | 45.9 | 142.1 | 125.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | D465 | D465-A467 PolarHBondContact OD1-N 3.22Å; D465-A467 PolarHBondContact OD2-N 2.82Å | |||
| 468 | V | 38.1 | Very low | 36.3 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | -175.5 | 150.1 | 125.7 | 143 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 469 | Q | 36.7 | Very low | 36.8 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -42.8 | 165.8 | -174.7 | -62.6 | 124.6 | -60.5 | 0 | 0 | 118.5 | ||||
| 470 | Q | 38 | Very low | 36.9 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | -166.4 | 152.6 | 59.7 | -66.8 | 178.9 | 6 | 0 | 0 | 117 | |||||
| 471 | G | 36.7 | Very low | 37.6 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 87.3 | 149.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 472 | L | 35.5 | Very low | 37.9 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | cis | -166.5 | 155.1 | -15.1 | -160.3 | 75.8 | 0 | 0 | 0 | 110.6 | ||||
| 473 | M | 37.5 | Very low | 38.2 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 66.7 | 149.3 | 167.3 | -77 | 164.4 | 73.1 | 0 | 0 | 117.5 | ||||
| 474 | Q | 41.2 | Very low | 38.4 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | cis | -133 | 130.4 | -8 | -89.7 | 139.9 | 96.3 | 0 | 0 | 107.2 | ||||
| 475 | Q | 41.1 | Very low | 38.7 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 63.9 | 112 | 81.6 | -88.1 | -163.7 | -7.9 | 0 | 0 | 118.6 | |||||
| 476 | T | 40.6 | Very low | 39 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | 62.5 | 147.5 | 150 | 59 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 477 | G | 38.4 | Very low | 38.7 | Very low | 82 Ų | 82 | 130.3 Ų | 130.3 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | cis | 177.5 | 162.7 | -3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 478 | G | 32 | Very low | 38.7 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -138.3 | 151 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 479 | S | 39.7 | Very low | 38.5 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | -170.2 | 145.1 | 164.2 | -142.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 480 | D | 39.8 | Very low | 38.5 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 62.3 | 159.6 | 153.8 | -47.5 | -42 | 0 | 0 | 0 | 120.7 | ||||
| 481 | A | 43.7 | Very low | 38.2 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | cis | -164.6 | 149.9 | -39.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 482 | H | 40.2 | Very low | 38 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | 47.9 | 120.4 | 163.1 | -60.5 | -67.7 | 0 | 0 | 0 | 121.4 | ||||
| 483 | G | 37.5 | Very low | 37.9 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 176.4 | 93.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 484 | N | 38 | Very low | 37.9 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -105.5 | 179.7 | 179.5 | -79.2 | -24.9 | 0 | 0 | 0 | 111.1 | ||||
| 485 | P | 45.2 | Very low | 37.4 | Very low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | -140.8 | 149.5 | -70.8 | 40.4 | -23.1 | 0 | 0 | 0 | 114.3 | |||||
| 486 | I | 38.1 | Very low | 37 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | -137.6 | 141 | 165.6 | -60 | -175.5 | 0 | 0 | 0 | 112.7 | ||||
| 487 | S | 37 | Very low | 36.7 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -70.7 | 148.2 | -168.3 | -45.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 488 | L | 37.3 | Very low | 36.3 | Very low | 184 Ų | 184 | 128 Ų | 128 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | trans | 156.9 | 128.7 | 142.1 | -87.9 | 157.3 | 0 | 0 | 0 | 108.6 | ||||
| 489 | G | 34.5 | Very low | 36.3 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 178.4 | 134.4 | -12 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 490 | T | 36.5 | Very low | 35.9 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | 15.3 | 129.1 | 155.6 | 52.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 491 | N | 31.9 | Very low | 35.6 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -156.7 | 141.6 | 13 | -77.1 | -44.5 | 0 | 0 | 0 | 111.6 | ||||
| 492 | Y | 31.5 | Very low | 35.1 | Very low | 244 Ų | 244 | 134.6 Ų | 134.6 | 96% | 0.957 | 79% | 0.793 | S | S | * | * | trans | -148.3 | 131.5 | 152.5 | -83.1 | -73.7 | 0 | 0 | 0 | 109.7 | ||||
| 493 | S | 35.2 | Very low | 35 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -126.6 | 114.6 | -178.3 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 494 | T | 36.2 | Very low | 34.9 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | 37 | 93.5 | 140.2 | 59.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 495 | S | 31.7 | Very low | 34.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | 27.8 | 114 | 122.5 | 60.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 496 | S | 32.6 | Very low | 34.3 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -138.6 | 134.6 | 142.9 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 497 | V | 33.2 | Very low | 34.1 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | -84.3 | 126 | -174 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 498 | S | 30.4 | Very low | 34 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | trans | -148.7 | 113.6 | 164.7 | -173 | 0 | 0 | 0 | 0 | 110.4 | N500 | S498-N500 PolarHBondContact O-N 3.33Å; S498-N500 VanDerWaalsContact O-N 3.14Å | ||
| 499 | T | 32 | Very low | 33.8 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | trans | -81.3 | 87.8 | -178.5 | 47.1 | 0 | 0 | 0 | 0 | 110.9 | H501 | T499-H501 PolarHBondContact O-CD2 2.92Å; T499-H501 PolarHBondContact O-N 3.15Å | ||
| 500 | N | 30.5 | Very low | 33.8 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -77.8 | 113.6 | 169.5 | -75.5 | -55.9 | 0 | 0 | 0 | 110.3 | S498 | S498-N500 PolarHBondContact O-N 3.33Å; S498-N500 VanDerWaalsContact O-N 3.14Å | ||
| 501 | H | 34.7 | Very low | 33.6 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | -78.6 | 120.3 | 174.3 | -66.6 | -93 | 0 | 0 | 0 | 110.4 | T499 N503 | T499-H501 PolarHBondContact O-CD2 2.92Å; T499-H501 PolarHBondContact O-N 3.15Å; H501-N503 PolarHBondContact O-N 2.69Å | ||
| 502 | T | 34 | Very low | 33.8 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -72.7 | 86.8 | -179.1 | -49.7 | 0 | 0 | 0 | 0 | 111.5 | V504 | T502-V504 PolarHBondContact O-N 2.89Å; T502-V504 VanDerWaalsContact O-N 3.14Å | ||
| 503 | N | 36.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | -67 | 106.8 | 173.1 | -75.3 | -34.4 | 0 | 0 | 0 | 110.8 | H501 I505 | H501-N503 PolarHBondContact O-N 2.69Å; N503-I505 PolarHBondContact O-N 2.98Å; N503-I505 VanDerWaalsContact O-N 3.1Å | ||
| 504 | V | 35.5 | Very low | 33.8 | Very low | 100 Ų | 100 | 128 Ų | 128 | 61% | 0.606 | 75% | 0.751 | S | S | * | * | trans | -82.6 | 85.4 | 177.6 | -171 | 0 | 0 | 0 | 0 | 109.9 | T502 L506 | T502-V504 PolarHBondContact O-N 2.89Å; T502-V504 VanDerWaalsContact O-N 3.14Å; V504-L506 HydrophobicContact CG1-CD2 3.82Å; V504-L506 HydrophobicContact CG1-CG 4Å; V504-L506 PolarHBondContact O-N 2.82Å | ||
| 505 | I | 34 | Very low | 33.7 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -76.3 | 117.6 | 172 | -57 | 175.9 | 0 | 0 | 0 | 108.5 | N503 T507 | N503-I505 PolarHBondContact O-N 2.98Å; N503-I505 VanDerWaalsContact O-N 3.1Å; I505-T507 HydrophobicContact CG2-CG2 4.35Å | ||
| 506 | L | 36.8 | Very low | 33.7 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | trans | -108.4 | 87.8 | 179.3 | -65.9 | -178.6 | 0 | 0 | 0 | 111.6 | V504 | V504-L506 HydrophobicContact CG1-CD2 3.82Å; V504-L506 HydrophobicContact CG1-CG 4Å; V504-L506 PolarHBondContact O-N 2.82Å | ||
| 507 | T | 35.4 | Very low | 33.8 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | trans | -76.3 | 118.7 | 168.6 | 50 | 0 | 0 | 0 | 0 | 110.8 | I505 S509 | I505-T507 HydrophobicContact CG2-CG2 4.35Å; T507-S509 PolarHBondContact O-N 3.19Å | ||
| 508 | N | 33.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | trans | -82 | 90.4 | 170.7 | -92.7 | -16 | 0 | 0 | 0 | 110.5 | L510 | N508-L510 PolarHBondContact O-N 3.12Š| ||
| 509 | S | 32.6 | Very low | 34 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -68.6 | 112 | 170.8 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | T507 | T507-S509 PolarHBondContact O-N 3.19Š| ||
| 510 | L | 34.5 | Very low | 34 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -98.9 | 107 | 158.6 | -83.2 | 78.7 | 0 | 0 | 0 | 108.4 | N508 | N508-L510 PolarHBondContact O-N 3.12Š| ||
| 511 | L | 33.7 | Very low | 34.2 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 136.1 | 170 | -77.2 | 76.4 | 0 | 0 | 0 | 109.6 | ||
| 512 | P | 36.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 129.1 | 162.7 | 30.6 | -31.6 | 0 | 0 | 0 | 109.6 | T514 | P512-T514 PolarHBondContact O-N 3.49Š|
| 513 | T | 33.1 | Very low | 34.4 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 118.2 | 175.1 | 47.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 514 | T | 32 | Very low | 34.2 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 123.8 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | P512 | P512-T514 PolarHBondContact O-N 3.49Š|
| 515 | T | 34.2 | Very low | 34.3 | Very low | 132 Ų | 132 | 129 Ų | 129 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 124 | 168.7 | -47.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 516 | S | 31.3 | Very low | 34.2 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 139.5 | -179.5 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 517 | T | 34.9 | Very low | 34.1 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | -129.9 | 146.1 | 164.3 | -33.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 518 | T | 36.1 | Very low | 34.1 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -101.5 | 135.2 | -158.8 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 519 | T | 32.2 | Very low | 34.2 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 47.2 | 123.3 | 140.7 | 62.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 520 | L | 33.2 | Very low | 34.3 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | -171 | 136.3 | 103.1 | -125.5 | 84.7 | 0 | 0 | 0 | 113.6 | |||||
| 521 | G | 32.9 | Very low | 34.4 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | 63.9 | 144.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 522 | G | 35.1 | Very low | 34.3 | Very low | 71 Ų | 71 | 120.4 Ų | 120.4 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 141.8 | 55 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 523 | H | 38.5 | Very low | 34.1 | Very low | 196 Ų | 196 | 119 Ų | 119 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | 45.8 | 122.2 | 151 | -64.4 | -82.2 | 0 | 0 | 0 | 123.1 | ||||
| 524 | S | 33.1 | Very low | 34.1 | Very low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -66.7 | 152.6 | 160.5 | 170.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 525 | V | 36 | Very low | 34.2 | Very low | 146 Ų | 146 | 115.6 Ų | 115.6 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | -146.1 | 151.2 | 126.3 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 526 | I | 32.7 | Very low | 34 | Very low | 152 Ų | 152 | 116.8 Ų | 116.8 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -89.5 | 152 | -177.8 | -63.8 | 153 | 0 | 0 | 0 | 111.9 | ||||
| 527 | G | 34.8 | Very low | 34 | Very low | 78 Ų | 78 | 117.9 Ų | 117.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -172.6 | 103 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 528 | S | 35.6 | Very low | 33.8 | Very low | 112 Ų | 112 | 119 Ų | 119 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -94.6 | 151.3 | 174.3 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 529 | N | 35.6 | Very low | 33.4 | Very low | 155 Ų | 155 | 119.3 Ų | 119.3 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | 175.6 | 166.5 | 98 | -155.6 | 19.4 | 0 | 0 | 0 | 114.2 | |||||
| 530 | S | 35.7 | Very low | 33.2 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | -65.3 | 164.2 | -178.1 | 60.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 531 | G | 34.5 | Very low | 32.9 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 163.8 | 85.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 532 | G | 33 | Very low | 32.9 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | 73.5 | 161.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 533 | G | 31.2 | Very low | 32.6 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | cis | 149.7 | 98.4 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 534 | G | 33.4 | Very low | 32.3 | Very low | 73 Ų | 73 | 121.5 Ų | 121.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -178.4 | 133.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 535 | S | 34 | Very low | 32.2 | Very low | 123 Ų | 123 | 123 Ų | 123 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -46.7 | 143.6 | -172.7 | -150.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 536 | N | 30.7 | Very low | 32.1 | Very low | 156 Ų | 156 | 121 Ų | 121 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -115.3 | 128.8 | 173.1 | -82.4 | -42.9 | 0 | 0 | 0 | 111.9 | ||||
| 537 | T | 30.1 | Very low | 32 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -150.6 | 101 | 163 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 538 | I | 31.1 | Very low | 32.2 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -148.9 | 139.2 | 170.2 | -96.6 | 144.2 | 0 | 0 | 0 | 109.5 | ||||
| 539 | T | 28.6 | Very low | 32 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | trans | -70.9 | 133.5 | 177.5 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 540 | L | 27.5 | Very low | 32.1 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -85.5 | 117.3 | 171 | -73.1 | 173.6 | 0 | 0 | 0 | 111.4 | ||||
| 541 | T | 27.7 | Very low | 32 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | trans | -124.3 | 104.6 | 166.2 | -55.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 542 | T | 32.2 | Very low | 32.1 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | -111.6 | 95.9 | -175.1 | 51.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 543 | S | 29.3 | Very low | 32.1 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | -84.1 | 119.8 | 165.7 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 544 | L | 31.6 | Very low | 32.4 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -96.7 | 113.6 | 174.3 | -77.1 | 164.2 | 0 | 0 | 0 | 110.6 | ||||
| 545 | T | 31.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -103.3 | 128.9 | 170.1 | 48 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 546 | A | 32.8 | Very low | 32.5 | Very low | 105 Ų | 105 | 135 Ų | 135 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -71.9 | 142.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 547 | T | 31.8 | Very low | 32.8 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -108 | 119.3 | 173.7 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 548 | T | 38.1 | Very low | 33.1 | Very low | 146 Ų | 146 | 131 Ų | 131 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | trans | -119.1 | 127 | 163 | 46.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 549 | G | 31.9 | Very low | 33.4 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -128.7 | 126.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 550 | V | 37.7 | Very low | 33.7 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -151.2 | 140.6 | 158.2 | -112.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 551 | N | 33.4 | Very low | 34.3 | Very low | 166 Ų | 166 | 127 Ų | 127 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -93.7 | 144.1 | -164.6 | -68.4 | -37.3 | 0 | 0 | 0 | 113.9 | ||||
| 552 | A | 36.3 | Very low | 34.7 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -155.4 | 84 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 553 | I | 34.2 | Very low | 35 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 77% | 0.774 | 82% | 0.815 | S | S | * | * | trans | 13.3 | 116.5 | 139.1 | -54.1 | 158.1 | 0 | 0 | 0 | 114.5 | ||||
| 554 | N | 36.1 | Very low | 35.4 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | -175.2 | 131.2 | 77.9 | -133.1 | -10 | 0 | 0 | 0 | 114.9 | |||||
| 555 | N | 33.6 | Very low | 35.5 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | 61.6 | 152.6 | 132.6 | -129.5 | -0.1 | 0 | 0 | 0 | 126 | ||||
| 556 | I | 36.4 | Very low | 35.9 | Very low | 140 Ų | 140 | 122 Ų | 122 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | trans | 84 | 85.9 | 161.4 | -52.1 | 170.9 | 0 | 0 | 0 | 119.4 | ||||
| 557 | T | 36.9 | Very low | 36.1 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 45.3 | 97.3 | 118.5 | -41.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 558 | G | 35.7 | Very low | 36.4 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | 55.6 | 131.7 | 114.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 559 | N | 37.5 | Very low | 36.4 | Very low | 166 Ų | 166 | 116.7 Ų | 116.7 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | -156 | 167.8 | 112.7 | -162.4 | 17.8 | 0 | 0 | 0 | 111 | |||||
| 560 | S | 36.6 | Very low | 36.6 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -122.6 | 158.9 | -173.5 | -61 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 561 | G | 38.8 | Very low | 36.5 | Very low | 84 Ų | 84 | 114.6 Ų | 114.6 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | 105.3 | 141 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 562 | G | 37 | Very low | 36.8 | Very low | 77 Ų | 77 | 112.2 Ų | 112.2 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | cis | -170.5 | -178.6 | -1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 563 | G | 38.3 | Very low | 36.8 | Very low | 80 Ų | 80 | 112.3 Ų | 112.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -68.3 | -179.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 564 | C | 37.1 | Very low | 37 | Very low | 128 Ų | 128 | 111.7 Ų | 111.7 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | cis | -156.6 | 174.2 | 14.3 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 565 | S | 34.8 | Very low | 37 | Very low | 110 Ų | 110 | 109.7 Ų | 109.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -74.3 | 147.8 | 178.5 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 566 | N | 38.3 | Very low | 36.9 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | -150.2 | -178.9 | 124.4 | -145.5 | -3.8 | 0 | 0 | 0 | 112.8 | |||||
| 567 | S | 38.1 | Very low | 36.8 | Very low | 107 Ų | 107 | 108.1 Ų | 108.1 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -127.2 | 168.3 | -154.5 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 568 | G | 38 | Very low | 36.5 | Very low | 84 Ų | 84 | 107.1 Ų | 107.1 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 99 | 146.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 569 | G | 36.8 | Very low | 36.5 | Very low | 86 Ų | 86 | 109.9 Ų | 109.9 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | cis | 157.7 | 145.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 570 | G | 36.6 | Very low | 36.4 | Very low | 86 Ų | 86 | 108.1 Ų | 108.1 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | 125.3 | 149.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 571 | A | 36.7 | Very low | 36.3 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -132.5 | -167.9 | -178 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 572 | S | 38.6 | Very low | 36.2 | Very low | 117 Ų | 117 | 109.1 Ų | 109.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 81 | 142.7 | -175 | -43.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 573 | S | 37.6 | Very low | 36 | Very low | 98 Ų | 98 | 111.2 Ų | 111.2 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | cis | 151 | 144.4 | -28.6 | 54.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 574 | V | 37.3 | Very low | 36.1 | Very low | 138 Ų | 138 | 114.1 Ų | 114.1 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | 68.2 | 143.4 | 168.3 | 174.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 575 | S | 35.9 | Very low | 36.1 | Very low | 97 Ų | 97 | 114.6 Ų | 114.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -161.7 | 158 | -27.1 | -92.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 576 | T | 31.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 112.9 Ų | 112.9 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | 20.8 | 124.8 | 149.1 | -40.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 577 | T | 34 | Very low | 36.1 | Very low | 124 Ų | 124 | 113.3 Ų | 113.3 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | 170.1 | 109.2 | 117.7 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 578 | T | 32.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 116.7 Ų | 116.7 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | 20.2 | 122 | 133.5 | -35.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 579 | T | 35.4 | Very low | 35.9 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | -179.9 | 163.3 | 114.5 | 27.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 580 | T | 35.3 | Very low | 35.7 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -39.6 | 159.9 | 167 | 35.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 581 | S | 34.2 | Very low | 35.5 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | cis | -171 | -165.2 | 3.1 | 44.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 582 | T | 36.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | 77.5 | 90.4 | 157.1 | 41.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 583 | T | 34 | Very low | 35.1 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 45.4 | 121.6 | 124.4 | 55.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 584 | T | 38.8 | Very low | 35 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | -162.7 | 160 | 104.6 | 19 | 0 | 0 | 0 | 0 | 113 | |||||
| 585 | T | 37.3 | Very low | 34.7 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -30 | 138.5 | 178.7 | 49.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 586 | G | 34.9 | Very low | 34.7 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -167.4 | 144 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 587 | H | 38.6 | Very low | 34.7 | Very low | 164 Ų | 164 | 135 Ų | 135 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -103 | 145.7 | -162.4 | -96.6 | -101 | 0 | 0 | 0 | 116.6 | ||||
| 588 | H | 38.3 | Very low | 34.9 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 54.5 | 143.5 | 158 | -62 | -62.1 | 0 | 0 | 0 | 121.3 | ||||
| 589 | G | 34 | Very low | 35.2 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 136.4 | 35.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 590 | K | 33.1 | Very low | 35.2 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -107.3 | 112.3 | 177.4 | -74.3 | -174 | 178.1 | 178.7 | 0 | 113.3 | ||||
| 591 | T | 32.1 | Very low | 35.3 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -110.2 | 114.7 | 160.6 | 46.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 592 | S | 35.3 | Very low | 35.6 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -158 | 103.3 | 176.7 | -83.7 | 0 | 0 | 0 | 0 | 113.8 | S594 | S592-S594 PolarHBondContact O-N 2.75Š| ||
| 593 | K | 31.8 | Very low | 36.3 | Very low | 211 Ų | 211 | 148 Ų | 148 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | 38.8 | 78.5 | 134.7 | -61.6 | 175.6 | 178.9 | 174.3 | 0 | 117.1 | ||||
| 594 | S | 34.6 | Very low | 37.1 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 120.7 | 155.9 | -65.2 | 0 | 0 | 0 | 0 | 110.1 | S592 | S592-S594 PolarHBondContact O-N 2.75Š|
| 595 | K | 31.3 | Very low | 38.8 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 136.5 | 166.4 | -65.6 | 176.7 | 178.6 | 178.6 | 0 | 108.6 | ||
| 596 | S | 36.4 | Very low | 40.9 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 124.9 | 167 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 597 | S | 30.8 | Very low | 43 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 122 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 109 | H599 | S597-H599 PolarHBondContact O-N 2.89Š|
| 598 | K | 39.6 | Very low | 45.2 | Very low | 205 Ų | 205 | 146.1 Ų | 146.1 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | -91.2 | 98.3 | 170.8 | -87.6 | -169.2 | 170.7 | -173.9 | 0 | 109.6 | ||||
| 599 | H | 36.8 | Very low | 47.3 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -62.8 | 151.9 | 164.6 | -174.9 | -82.1 | 0 | 0 | 0 | 110.5 | S597 | S597-H599 PolarHBondContact O-N 2.89Š| ||
| 600 | M | 35.9 | Very low | 49.5 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | trans | -58.6 | 144.3 | 175.7 | -69.3 | 158.9 | 60.7 | 0 | 0 | 112.3 | E602 | M600-E602 HydrophobicContact CE-CG 4.38Š| ||
| 601 | Q | 36.8 | Very low | 52 | Low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -145 | 90.7 | 153.3 | -172 | 72.9 | 55.9 | 0 | 0 | 106.6 | Q603 | Q601-Q603 PolarHBondContact O-N 3.27Å; Q601-Q603 VanDerWaalsContact O-N 3.09Å | ||
| 602 | E | 40.3 | Very low | 54.7 | Low | 153 Ų | 153 | 132.4 Ų | 132.4 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | trans | -66.8 | 108.7 | 174.3 | -67.5 | 178.4 | 122.1 | 0 | 0 | 108.5 | M600 N604 | M600-E602 HydrophobicContact CE-CG 4.38Å; E602-N604 PolarHBondContact O-N 3.42Å | ||
| 603 | Q | 52 | Low | 56.8 | Low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | trans | -76.9 | 114.2 | 175.5 | -71.4 | -175.3 | -38 | 0 | 0 | 108.6 | Q601 L605 | Q601-Q603 PolarHBondContact O-N 3.27Å; Q601-Q603 VanDerWaalsContact O-N 3.09Å; Q603-L605 HydrophobicContact CB-CG 4.45Å; Q603-L605 PolarHBondContact O-N 2.86Å | ||
| 604 | N | 51.2 | Low | 59.3 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 86% | 0.861 | 65% | 0.645 | S | S | * | * | trans | -69.4 | 79.8 | 163.1 | -88.3 | -95.3 | 0 | 0 | 0 | 108.3 | E602 N606 | E602-N604 PolarHBondContact O-N 3.42Å; N604-N606 PolarHBondContact O-N 3.45Å | ||
| 605 | L | 73.3 | Confident | 61.8 | Low | 64 Ų | 64 | 124.8 Ų | 124.8 | 34% | 0.335 | 63% | 0.632 | S | S | . | * | trans | -60.2 | 128.3 | 169.7 | -66.2 | 170.7 | 0 | 0 | 0 | 108.3 | Q603 E609 K610 I613 | Q603-L605 HydrophobicContact CB-CG 4.45Å; Q603-L605 PolarHBondContact O-N 2.86Å; L605-E609 WeakPolarHBondContact CA-OE2 3.13Å; L605-E609 HydrophobicContact CB-CB 4.28Å; L605-E609 HydrophobicContact CD2-CB 4.17Å; L605-K610 HydrophobicContact CB-CG 4.2Å; L605-K610 WeakPolarHBondContact O-CE 3.31Å; L605-I613 HydrophobicContact CD1-CD1 3.89Å | ||
| 606 | N | 81.9 | Confident | 64.4 | Low | 78 Ų | 78 | 119 Ų | 119 | 42% | 0.417 | 61% | 0.608 | S | S | . | * | trans | -72.9 | 167.6 | 174.8 | 76.3 | 64.3 | 0 | 0 | 0 | 110.5 | N604 E608 E609 K610 | N604-N606 PolarHBondContact O-N 3.45Å; N606-E608 VanDerWaalsContact C-N 3.29Å; N606-E608 PolarHBondContact O-N 2.87Å; N606-E608 WeakPolarHBondContact OD1-CA 3.46Å; N606-E608 VanDerWaalsContact OD1-CB 3.27Å; N606-E608 WeakPolarHBondContact OD1-CB 3.48Å; N606-E608 PolarHBondContact OD1-N 3.03Å; N606-E609 PolarHBondContact N-OE2 2.87Å; N606-E609 VanDerWaalsContact ND2-CG 3.34Å; N606-E609 WeakPolarHBondContact ND2-CG 3.39Å; N606-E609 PolarHBondContact ND2-OE2 3.21Å; N606-E609 PolarHBondContact O-N 3.08Å; N606-E609 PolarHBondContact OD1-N 3.38Å; N606-K610 WeakPolarHBondContact O-CG 3.41Å; N606-K610 PolarHBondContact O-N 2.95Å | ||
| 607 | E | 79.3 | Confident | 66.6 | Low | 134 Ų | 134 | 117.5 Ų | 117.5 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.6 | -29.9 | -172.7 | -144.1 | 63 | -147.2 | 0 | 0 | 113.2 | K610 D611 | E607-K610 PolarHBondContact O-N 3.43Å; E607-K610 WeakPolarHBondContact OE1-CD 3.28Å; E607-K610 IonicContact OE1-NZ 3.41Å; E607-K610 IonicContact OE2-NZ 2.81Å; E607-K610 PolarHBondContact OE2-NZ 2.93Å; E607-D611 PolarHBondContact O-N 3.41Å |
| 608 | E | 84.9 | Confident | 69.3 | Low | 163 Ų | 163 | 115.5 Ų | 115.5 | 76% | 0.762 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.9 | -37.4 | 174.9 | -171.2 | 179.4 | 178.2 | 0 | 0 | 111.3 | N606 D611 A612 | N606-E608 VanDerWaalsContact C-N 3.29Å; N606-E608 PolarHBondContact O-N 2.87Å; N606-E608 WeakPolarHBondContact OD1-CA 3.46Å; N606-E608 VanDerWaalsContact OD1-CB 3.27Å; N606-E608 WeakPolarHBondContact OD1-CB 3.48Å; N606-E608 PolarHBondContact OD1-N 3.03Å; E608-D611 PolarHBondContact O-N 2.64Å; E608-A612 VanDerWaalsContact O-CB 3.26Å; E608-A612 WeakPolarHBondContact O-CB 3.4Å; E608-A612 PolarHBondContact O-N 3.23Å |
| 609 | E | 83.1 | Confident | 71.5 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 41% | 0.407 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.8 | -39.7 | 172 | -73.6 | 171.1 | 139.2 | 0 | 0 | 112.1 | L605 N606 I613 | L605-E609 WeakPolarHBondContact CA-OE2 3.13Å; L605-E609 HydrophobicContact CB-CB 4.28Å; L605-E609 HydrophobicContact CD2-CB 4.17Å; N606-E609 PolarHBondContact N-OE2 2.87Å; N606-E609 VanDerWaalsContact ND2-CG 3.34Å; N606-E609 WeakPolarHBondContact ND2-CG 3.39Å; N606-E609 PolarHBondContact ND2-OE2 3.21Å; N606-E609 PolarHBondContact O-N 3.08Å; N606-E609 PolarHBondContact OD1-N 3.38Å; E609-I613 WeakPolarHBondContact O-CD1 3.28Å; E609-I613 VanDerWaalsContact O-CG1 3.25Å; E609-I613 WeakPolarHBondContact O-CG1 3.48Å; E609-I613 PolarHBondContact O-N 2.69Å |
| 610 | K | 79.2 | Confident | 73.6 | Confident | 89 Ų | 89 | 107.8 Ų | 107.8 | 39% | 0.387 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 174.3 | -65.2 | 173.2 | -159.7 | 164.4 | 0 | 111.2 | L605 N606 E607 A612 I613 V614 | L605-K610 HydrophobicContact CB-CG 4.2Å; L605-K610 WeakPolarHBondContact O-CE 3.31Å; N606-K610 WeakPolarHBondContact O-CG 3.41Å; N606-K610 PolarHBondContact O-N 2.95Å; E607-K610 PolarHBondContact O-N 3.43Å; E607-K610 WeakPolarHBondContact OE1-CD 3.28Å; E607-K610 IonicContact OE1-NZ 3.41Å; E607-K610 IonicContact OE2-NZ 2.81Å; E607-K610 PolarHBondContact OE2-NZ 2.93Å; K610-A612 VanDerWaalsContact C-N 3.34Å; K610-A612 PolarHBondContact O-N 2.83Å; K610-I613 PolarHBondContact O-N 3.43Å; K610-V614 WeakPolarHBondContact O-CG2 3.48Å; K610-V614 PolarHBondContact O-N 3.25Å |
| 611 | D | 86 | Confident | 75.8 | Confident | 89 Ų | 89 | 106.2 Ų | 106.2 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | -179.9 | -165.3 | 46.8 | 0 | 0 | 0 | 111.7 | E607 E608 I613 V614 M615 | E607-D611 PolarHBondContact O-N 3.41Å; E608-D611 PolarHBondContact O-N 2.64Å; D611-I613 PolarHBondContact O-N 2.83Å; D611-V614 PolarHBondContact O-N 2.79Å; D611-M615 WeakPolarHBondContact O-CB 3.37Å; D611-M615 WeakPolarHBondContact O-CG 3.4Å; D611-M615 PolarHBondContact O-N 3.21Å; D611-M615 WeakPolarHBondContact OD2-CE 3.38Å |
| 612 | A | 88.1 | Confident | 78 | Confident | 50 Ų | 50 | 102.1 Ų | 102.1 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E608 K610 Q616 | E608-A612 VanDerWaalsContact O-CB 3.26Å; E608-A612 WeakPolarHBondContact O-CB 3.4Å; E608-A612 PolarHBondContact O-N 3.23Å; K610-A612 VanDerWaalsContact C-N 3.34Å; K610-A612 PolarHBondContact O-N 2.83Å; A612-Q616 VanDerWaalsContact O-CB 3.31Å; A612-Q616 WeakPolarHBondContact O-CB 3.31Å; A612-Q616 PolarHBondContact O-N 2.95Å |
| 613 | I | 80.6 | Confident | 79.8 | Confident | 83 Ų | 83 | 98.3 Ų | 98.3 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 174.4 | -70.3 | 163.5 | 0 | 0 | 0 | 110.9 | L605 E609 K610 D611 N617 | L605-I613 HydrophobicContact CD1-CD1 3.89Å; E609-I613 WeakPolarHBondContact O-CD1 3.28Å; E609-I613 VanDerWaalsContact O-CG1 3.25Å; E609-I613 WeakPolarHBondContact O-CG1 3.48Å; E609-I613 PolarHBondContact O-N 2.69Å; K610-I613 PolarHBondContact O-N 3.43Å; D611-I613 PolarHBondContact O-N 2.83Å; I613-N617 WeakPolarHBondContact O-CB 3.33Å; I613-N617 PolarHBondContact O-N 3.49Å; I613-N617 PolarHBondContact O-ND2 2.82Å; I613-N617 VanDerWaalsContact O-ND2 3.08Å |
| 614 | V | 84.2 | Confident | 81 | Confident | 81 Ų | 81 | 96 Ų | 96 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -50.5 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | K610 D611 Q616 N617 V618 | K610-V614 WeakPolarHBondContact O-CG2 3.48Å; K610-V614 PolarHBondContact O-N 3.25Å; D611-V614 PolarHBondContact O-N 2.79Å; V614-Q616 PolarHBondContact O-N 2.83Å; V614-N617 PolarHBondContact O-N 3Å; V614-V618 HydrophobicContact CG1-CG2 4.44Å; V614-V618 WeakPolarHBondContact O-CG2 3.08Å; V614-V618 PolarHBondContact O-N 3.39Å |
| 615 | M | 86 | Confident | 81.9 | Confident | 115 Ų | 115 | 93.5 Ų | 93.5 | 57% | 0.567 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.7 | -41.8 | 177.2 | -78.3 | -163 | -81 | 0 | 0 | 112.4 | D611 V618 K619 | D611-M615 WeakPolarHBondContact O-CB 3.37Å; D611-M615 WeakPolarHBondContact O-CG 3.4Å; D611-M615 PolarHBondContact O-N 3.21Å; D611-M615 WeakPolarHBondContact OD2-CE 3.38Å; M615-V618 PolarHBondContact O-N 3.08Å; M615-K619 VanDerWaalsContact O-CB 3.28Å; M615-K619 WeakPolarHBondContact O-CB 3.43Å; M615-K619 PolarHBondContact O-N 3.18Å |
| 616 | Q | 86.1 | Confident | 81.6 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 176.9 | -174.5 | 56.7 | 56.9 | 0 | 0 | 111.7 | A612 V614 K619 N620 | A612-Q616 VanDerWaalsContact O-CB 3.31Å; A612-Q616 WeakPolarHBondContact O-CB 3.31Å; A612-Q616 PolarHBondContact O-N 2.95Å; V614-Q616 PolarHBondContact O-N 2.83Å; Q616-K619 PolarHBondContact O-N 3.48Å; Q616-N620 PolarHBondContact NE2-OD1 3.24Å; Q616-N620 WeakPolarHBondContact O-CB 3.3Å; Q616-N620 PolarHBondContact O-N 3.44Å; Q616-N620 PolarHBondContact O-ND2 2.86Å; Q616-N620 PolarHBondContact O-OD1 3.39Å |
| 617 | N | 83 | Confident | 81.1 | Confident | 84 Ų | 84 | 96.7 Ų | 96.7 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 173.8 | -76.6 | -37.2 | 0 | 0 | 0 | 112.3 | I613 V614 K619 N620 I621 | I613-N617 WeakPolarHBondContact O-CB 3.33Å; I613-N617 PolarHBondContact O-N 3.49Å; I613-N617 PolarHBondContact O-ND2 2.82Å; I613-N617 VanDerWaalsContact O-ND2 3.08Å; V614-N617 PolarHBondContact O-N 3Å; N617-K619 VanDerWaalsContact C-N 3.34Å; N617-K619 PolarHBondContact O-N 2.86Å; N617-N620 WeakPolarHBondContact O-CB 3.38Å; N617-N620 PolarHBondContact O-N 2.96Å; N617-I621 VanDerWaalsContact O-CG1 3.3Å; N617-I621 WeakPolarHBondContact O-CG1 3.45Å; N617-I621 PolarHBondContact O-N 3.41Å |
| 618 | V | 87.3 | Confident | 80.1 | Confident | 74 Ų | 74 | 98 Ų | 98 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 173 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V614 M615 N620 I621 L622 | V614-V618 HydrophobicContact CG1-CG2 4.44Å; V614-V618 WeakPolarHBondContact O-CG2 3.08Å; V614-V618 PolarHBondContact O-N 3.39Å; M615-V618 PolarHBondContact O-N 3.08Å; V618-N620 VanDerWaalsContact C-N 3.34Å; V618-N620 PolarHBondContact O-N 2.99Å; V618-I621 PolarHBondContact O-N 2.86Å; V618-L622 HydrophobicContact CG1-CD1 3.8Å; V618-L622 HydrophobicContact CG1-CG 4.28Å; V618-L622 WeakPolarHBondContact O-CB 3.39Å; V618-L622 WeakPolarHBondContact O-CG 3.41Å; V618-L622 PolarHBondContact O-N 3.29Å |
| 619 | K | 85.1 | Confident | 79 | Confident | 141 Ų | 141 | 95.3 Ų | 95.3 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 175.7 | -172.9 | 176.6 | -178.3 | 179.8 | 0 | 112.4 | M615 Q616 N617 S623 | M615-K619 VanDerWaalsContact O-CB 3.28Å; M615-K619 WeakPolarHBondContact O-CB 3.43Å; M615-K619 PolarHBondContact O-N 3.18Å; Q616-K619 PolarHBondContact O-N 3.48Å; N617-K619 VanDerWaalsContact C-N 3.34Å; N617-K619 PolarHBondContact O-N 2.86Å; K619-S623 VanDerWaalsContact O-CB 3.26Å; K619-S623 WeakPolarHBondContact O-CB 3.38Å; K619-S623 PolarHBondContact O-N 3.21Å |
| 620 | N | 81.9 | Confident | 77.9 | Confident | 73 Ų | 73 | 99.4 Ų | 99.4 | 39% | 0.39 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.4 | -67.5 | -17.1 | 0 | 0 | 0 | 111.6 | Q616 N617 V618 S623 L624 | Q616-N620 PolarHBondContact NE2-OD1 3.24Å; Q616-N620 WeakPolarHBondContact O-CB 3.3Å; Q616-N620 PolarHBondContact O-N 3.44Å; Q616-N620 PolarHBondContact O-ND2 2.86Å; Q616-N620 PolarHBondContact O-OD1 3.39Å; N617-N620 WeakPolarHBondContact O-CB 3.38Å; N617-N620 PolarHBondContact O-N 2.96Å; V618-N620 VanDerWaalsContact C-N 3.34Å; V618-N620 PolarHBondContact O-N 2.99Å; N620-S623 PolarHBondContact O-N 3.14Å; N620-L624 WeakPolarHBondContact O-CG 3.31Å; N620-L624 PolarHBondContact O-N 3.23Å |
| 621 | I | 81.7 | Confident | 76.8 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 178.8 | -68.2 | 163.1 | 0 | 0 | 0 | 111.3 | N617 V618 L624 Q625 | N617-I621 VanDerWaalsContact O-CG1 3.3Å; N617-I621 WeakPolarHBondContact O-CG1 3.45Å; N617-I621 PolarHBondContact O-N 3.41Å; V618-I621 PolarHBondContact O-N 2.86Å; I621-L624 PolarHBondContact O-N 3.31Å; I621-Q625 PolarHBondContact O-N 3.35Å |
| 622 | L | 82.1 | Confident | 75.1 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 177 | -70.2 | 173.3 | 0 | 0 | 0 | 111.8 | V618 L624 Q625 H626 | V618-L622 HydrophobicContact CG1-CD1 3.8Å; V618-L622 HydrophobicContact CG1-CG 4.28Å; V618-L622 WeakPolarHBondContact O-CB 3.39Å; V618-L622 WeakPolarHBondContact O-CG 3.41Å; V618-L622 PolarHBondContact O-N 3.29Å; L622-L624 PolarHBondContact O-N 3.12Å; L622-Q625 PolarHBondContact O-N 2.85Å; L622-H626 PolarHBondContact O-CD2 3.05Å; L622-H626 VanDerWaalsContact O-CD2 3.22Å; L622-H626 PolarHBondContact O-N 2.88Å |
| 623 | S | 78.5 | Confident | 73.3 | Confident | 72 Ų | 72 | 104.2 Ų | 104.2 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 172.6 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | K619 N620 Q625 H626 T627 | K619-S623 VanDerWaalsContact O-CB 3.26Å; K619-S623 WeakPolarHBondContact O-CB 3.38Å; K619-S623 PolarHBondContact O-N 3.21Å; N620-S623 PolarHBondContact O-N 3.14Å; S623-Q625 PolarHBondContact O-N 3.17Å; S623-H626 PolarHBondContact O-N 3.48Å; S623-T627 PolarHBondContact O-N 3.29Å; S623-T627 PolarHBondContact O-OG1 3.42Å |
| 624 | L | 77.1 | Confident | 71.9 | Confident | 106 Ų | 106 | 107.1 Ų | 107.1 | 56% | 0.555 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 175 | -72.3 | 166.6 | 0 | 0 | 0 | 112.4 | N620 I621 L622 T627 W628 | N620-L624 WeakPolarHBondContact O-CG 3.31Å; N620-L624 PolarHBondContact O-N 3.23Å; I621-L624 PolarHBondContact O-N 3.31Å; L622-L624 PolarHBondContact O-N 3.12Å; L624-T627 PolarHBondContact O-N 2.76Å; L624-W628 WeakPolarHBondContact O-CB 3.45Å; L624-W628 VanDerWaalsContact O-CD1 3.32Å; L624-W628 PolarHBondContact O-N 3.28Å |
| 625 | Q | 70.6 | Confident | 69.6 | Low | 110 Ų | 110 | 106.4 Ų | 106.4 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -40.6 | 173 | -77.3 | -172.4 | -15.4 | 0 | 0 | 112.6 | I621 L622 S623 T627 W628 N629 | I621-Q625 PolarHBondContact O-N 3.35Å; L622-Q625 PolarHBondContact O-N 2.85Å; S623-Q625 PolarHBondContact O-N 3.17Å; Q625-T627 VanDerWaalsContact C-N 3.35Å; Q625-T627 PolarHBondContact O-N 3.3Å; Q625-W628 PolarHBondContact O-N 3.32Å; Q625-N629 VanDerWaalsContact O-CB 3.32Å; Q625-N629 WeakPolarHBondContact O-CB 3.42Å; Q625-N629 PolarHBondContact O-N 2.9Å |
| 626 | H | 67.9 | Low | 67.3 | Low | 131 Ų | 131 | 112.9 Ų | 112.9 | 61% | 0.606 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64 | -38.3 | 175.8 | -84.3 | -69 | 0 | 0 | 0 | 112.3 | L622 S623 R630 | L622-H626 PolarHBondContact O-CD2 3.05Å; L622-H626 VanDerWaalsContact O-CD2 3.22Å; L622-H626 PolarHBondContact O-N 2.88Å; S623-H626 PolarHBondContact O-N 3.48Å; H626-R630 WeakPolarHBondContact O-CB 3.41Å; H626-R630 PolarHBondContact O-N 3.16Å; H626-R630 VanDerWaalsContact O-N 3.07Å |
| 627 | T | 69.7 | Low | 64.8 | Low | 77 Ų | 77 | 111.8 Ų | 111.8 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.1 | -49.5 | 173.4 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | S623 L624 Q625 N629 R630 E631 | S623-T627 PolarHBondContact O-N 3.29Å; S623-T627 PolarHBondContact O-OG1 3.42Å; L624-T627 PolarHBondContact O-N 2.76Å; Q625-T627 VanDerWaalsContact C-N 3.35Å; Q625-T627 PolarHBondContact O-N 3.3Å; T627-N629 VanDerWaalsContact C-N 3.32Å; T627-N629 PolarHBondContact O-N 3.01Å; T627-R630 PolarHBondContact O-N 3.5Å; T627-R630 VanDerWaalsContact O-N 3.09Å; T627-E631 PolarHBondContact O-N 3.03Å |
| 628 | W | 58.1 | Low | 62.6 | Low | 162 Ų | 162 | 113.5 Ų | 113.5 | 61% | 0.614 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.2 | -39.8 | 176.9 | -90.8 | 79 | 0 | 0 | 0 | 112.8 | L624 Q625 R630 S632 | L624-W628 WeakPolarHBondContact O-CB 3.45Å; L624-W628 VanDerWaalsContact O-CD1 3.32Å; L624-W628 PolarHBondContact O-N 3.28Å; Q625-W628 PolarHBondContact O-N 3.32Å; W628-R630 VanDerWaalsContact C-N 3.35Å; W628-S632 WeakPolarHBondContact O-CB 3.25Å; W628-S632 PolarHBondContact O-N 2.83Å |
| 629 | N | 63 | Low | 60.1 | Low | 107 Ų | 107 | 116.1 Ų | 116.1 | 57% | 0.572 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.1 | -32.2 | 176.4 | -77.3 | -10.6 | 0 | 0 | 0 | 112.2 | Q625 T627 S633 | Q625-N629 VanDerWaalsContact O-CB 3.32Å; Q625-N629 WeakPolarHBondContact O-CB 3.42Å; Q625-N629 PolarHBondContact O-N 2.9Å; T627-N629 VanDerWaalsContact C-N 3.32Å; T627-N629 PolarHBondContact O-N 3.01Å; N629-S633 VanDerWaalsContact O-CB 3.28Å; N629-S633 WeakPolarHBondContact O-CB 3.37Å; N629-S633 PolarHBondContact O-N 3.46Å; N629-S633 VanDerWaalsContact O-N 3.1Å; N629-S633 PolarHBondContact O-OG 2.94Å |
| 630 | R | 59.7 | Low | 57.9 | Low | 172 Ų | 172 | 114.6 Ų | 114.6 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.2 | -46.1 | 175.6 | -149.8 | -173.8 | -60 | -138.8 | 6.1 | 111 | H626 T627 W628 S633 H634 | H626-R630 WeakPolarHBondContact O-CB 3.41Å; H626-R630 PolarHBondContact O-N 3.16Å; H626-R630 VanDerWaalsContact O-N 3.07Å; T627-R630 PolarHBondContact O-N 3.5Å; T627-R630 VanDerWaalsContact O-N 3.09Å; W628-R630 VanDerWaalsContact C-N 3.35Å; R630-S633 PolarHBondContact O-N 2.78Å; R630-S633 PolarHBondContact O-OG 3.39Å; R630-H634 PolarHBondContact O-CD2 3.4Å; R630-H634 PolarHBondContact O-N 3.24Å |
| 631 | E | 56.1 | Low | 55.8 | Low | 146 Ų | 146 | 116 Ų | 116 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.8 | -48.3 | 175.3 | -146.6 | 68.3 | -122.1 | 0 | 0 | 111.4 | T627 S633 H634 | T627-E631 PolarHBondContact O-N 3.03Å; E631-S633 VanDerWaalsContact C-N 3.3Å; E631-S633 PolarHBondContact O-N 3.19Å; E631-H634 PolarHBondContact O-N 2.89Å |
| 632 | S | 50.4 | Low | 53.7 | Low | 98 Ų | 98 | 117.3 Ų | 117.3 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -70 | -21.5 | -177.2 | -163.3 | 0 | 0 | 0 | 0 | 113.9 | W628 | W628-S632 WeakPolarHBondContact O-CB 3.25Å; W628-S632 PolarHBondContact O-N 2.83Å |
| 633 | S | 50.7 | Low | 51.8 | Low | 85 Ų | 85 | 118.7 Ų | 118.7 | 59% | 0.594 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -92.7 | -11.7 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | N629 R630 E631 | N629-S633 VanDerWaalsContact O-CB 3.28Å; N629-S633 WeakPolarHBondContact O-CB 3.37Å; N629-S633 PolarHBondContact O-N 3.46Å; N629-S633 VanDerWaalsContact O-N 3.1Å; N629-S633 PolarHBondContact O-OG 2.94Å; R630-S633 PolarHBondContact O-N 2.78Å; R630-S633 PolarHBondContact O-OG 3.39Å; E631-S633 VanDerWaalsContact C-N 3.3Å; E631-S633 PolarHBondContact O-N 3.19Å |
| 634 | H | 49.8 | Very low | 49.7 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -97.9 | -7.3 | 174.2 | -67.9 | -48.7 | 0 | 0 | 0 | 114.2 | R630 E631 R636 | R630-H634 PolarHBondContact O-CD2 3.4Å; R630-H634 PolarHBondContact O-N 3.24Å; E631-H634 PolarHBondContact O-N 2.89Å; H634-R636 PolarHBondContact O-N 2.92Å |
| 635 | G | 37.2 | Very low | 47.9 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -71.3 | 16.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 636 | R | 36.5 | Very low | 46.4 | Very low | 251 Ų | 251 | 123 Ų | 123 | 95% | 0.947 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -149 | 78.7 | 175.4 | -70.9 | -164.7 | 178 | -149.6 | -3 | 113.1 | H634 | H634-R636 PolarHBondContact O-N 2.92Š|
| 637 | G | 33.5 | Very low | 44.9 | Very low | 67 Ų | 67 | 125.1 Ų | 125.1 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -174.6 | 148.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 638 | S | 37.4 | Very low | 43.4 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | 57.9 | 76.9 | 162.9 | -55.5 | 0 | 0 | 0 | 0 | 118 | S640 | S638-S640 PolarHBondContact O-N 2.95Š| ||
| 639 | S | 34.3 | Very low | 42.4 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | -71.6 | 109.7 | 155.8 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 640 | S | 38.8 | Very low | 41.1 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -145.3 | 70.4 | 167.9 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | S638 S642 | S638-S640 PolarHBondContact O-N 2.95Å; S640-S642 PolarHBondContact O-N 3.5Å | ||
| 641 | A | 38.5 | Very low | 40 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | -86.3 | 105.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 642 | S | 37.6 | Very low | 39.2 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -102.5 | 93.5 | 161.7 | -66.4 | 0 | 0 | 0 | 0 | 108.2 | S640 | S640-S642 PolarHBondContact O-N 3.5Š| ||
| 643 | S | 41.5 | Very low | 38.6 | Very low | 110 Ų | 110 | 123 Ų | 123 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -75.5 | 121.9 | 177.3 | 48.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 644 | S | 35.2 | Very low | 38.1 | Very low | 119 Ų | 119 | 122 Ų | 122 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -90.9 | 106.8 | 176.6 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 645 | E | 39.9 | Very low | 37.8 | Very low | 185 Ų | 185 | 123.6 Ų | 123.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 159.5 | 164.5 | -65.3 | -173 | 132.8 | 0 | 0 | 108.3 | ||||
| 646 | A | 39 | Very low | 38 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | cis | -168.1 | 145.5 | -36.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 647 | H | 36.7 | Very low | 38.6 | Very low | 176 Ų | 176 | 120.2 Ų | 120.2 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | trans | 54.3 | 101.7 | 158.2 | -65.1 | -56.6 | 0 | 0 | 0 | 121.5 | ||||
| 648 | S | 36.9 | Very low | 39.1 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 111 | 132.1 | 109.3 | -65 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 649 | S | 38.7 | Very low | 39.2 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 67.5 | 113.9 | 144.1 | 56.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 650 | N | 35.5 | Very low | 40.2 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | 66.3 | 148.2 | 131.6 | -69.8 | 17.4 | 0 | 0 | 0 | 120.7 | ||||
| 651 | S | 36.5 | Very low | 40.4 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | cis | -175.4 | 160.9 | -14.6 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 652 | N | 38.1 | Very low | 40.6 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | 69.4 | 153.5 | 159.7 | -64.3 | -1.9 | 0 | 0 | 0 | 118.1 | ||||
| 653 | T | 39.2 | Very low | 40.8 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | cis | -163.9 | 146.8 | -23.6 | -81.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 654 | G | 38.8 | Very low | 40.9 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | 123.7 | 114.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 655 | H | 43.1 | Very low | 41 | Very low | 178 Ų | 178 | 122.4 Ų | 122.4 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | cis | 70.4 | 127.9 | 32.1 | -138.1 | 53.4 | 0 | 0 | 0 | 111.2 | ||||
| 656 | N | 42.9 | Very low | 41.4 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 52% | 0.519 | 73% | 0.728 | S | S | . | * | cis | -160.8 | 162.3 | 24.2 | -160.2 | 1.9 | 0 | 0 | 0 | 114.2 | ||||
| 657 | Q | 48.7 | Very low | 41.4 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | 69.9 | 150 | 159.7 | -49.7 | -155.6 | 21.5 | 0 | 0 | 119.5 | ||||
| 658 | N | 42.8 | Very low | 41.4 | Very low | 140 Ų | 140 | 120.8 Ų | 120.8 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | cis | -163.5 | 159 | -21.8 | -108.9 | -29.9 | 0 | 0 | 0 | 110.7 | ||||
| 659 | G | 40.2 | Very low | 41.4 | Very low | 73 Ų | 73 | 119.6 Ų | 119.6 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 136.8 | 94.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 660 | P | 54.9 | Low | 41.3 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | -121.3 | -168.3 | -168.5 | 42.7 | -32 | 0 | 0 | 0 | 116.1 | ||||
| 661 | N | 43 | Very low | 41.7 | Very low | 148 Ų | 148 | 120.6 Ų | 120.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 90.4 | 142.4 | 171.8 | -53.2 | -22.3 | 0 | 0 | 0 | 114.9 | ||||
| 662 | S | 43.7 | Very low | 41.7 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | cis | -171.1 | 161.3 | -0.9 | -110.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 663 | F | 41.3 | Very low | 41.7 | Very low | 190 Ų | 190 | 121.5 Ų | 121.5 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | cis | -159.4 | -140.6 | -10 | -152.2 | -125.2 | 0 | 0 | 0 | 111.7 | ||||
| 664 | S | 43.2 | Very low | 41.3 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -69.1 | 175 | 179.3 | 60.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 665 | G | 37.5 | Very low | 41.1 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | -177.3 | -172.9 | 16 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 666 | P | 49.1 | Very low | 40.5 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | -133.7 | -165.4 | -150.4 | 42.6 | -25.1 | 0 | 0 | 0 | 117.8 | ||||
| 667 | Q | 39.7 | Very low | 40.2 | Very low | 198 Ų | 198 | 126.2 Ų | 126.2 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | trans | 78.9 | 148.6 | 178.4 | -55.6 | -179.2 | -9.1 | 0 | 0 | 115.7 | ||||
| 668 | G | 35.8 | Very low | 39.4 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | cis | 146.4 | 148.3 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 669 | G | 36.3 | Very low | 38.9 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 170.1 | 169.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 670 | N | 36.4 | Very low | 38.5 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 68.1 | 172.2 | 178.9 | -115.6 | 2.6 | 0 | 0 | 0 | 115.9 | ||||
| 671 | P | 45.4 | Very low | 37.6 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | -129.9 | -170.7 | 1.2 | 43.1 | -26.1 | 0 | 0 | 0 | 116.4 | ||||
| 672 | S | 36.6 | Very low | 37 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -81.4 | 158.5 | 179.8 | 55.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 673 | N | 36.5 | Very low | 36.5 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | -166.4 | 170.5 | 127.8 | -114.9 | -60.5 | 0 | 0 | 0 | 115.8 | |||||
| 674 | L | 31.4 | Very low | 36.1 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -93.2 | 160.7 | -179.4 | -52.8 | 88.5 | 0 | 0 | 0 | 112.8 | ||||
| 675 | S | 34.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | 174.5 | 158.9 | 112.8 | 46.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 676 | N | 31.4 | Very low | 35.7 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -71.9 | 161 | -168.9 | -46.2 | -51.3 | 0 | 0 | 0 | 116.3 | ||||
| 677 | L | 36.1 | Very low | 35.2 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 170.7 | 111.7 | 138.2 | -91.8 | 156.5 | 0 | 0 | 0 | 106.3 | ||||
| 678 | I | 31.4 | Very low | 34.9 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | 55.9 | 96.4 | 51.3 | -50.2 | -179.2 | 0 | 0 | 0 | 112.9 | |||||
| 679 | N | 32.7 | Very low | 35 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | -163.7 | 148.7 | 122.4 | -112 | -23.8 | 0 | 0 | 0 | 113.4 | |||||
| 680 | S | 31.9 | Very low | 34.8 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -103.5 | 152.3 | 172.2 | -52.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 681 | S | 35.4 | Very low | 34.9 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -159.3 | 162.8 | 145.9 | -151.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 682 | Y | 31.6 | Very low | 34.5 | Very low | 229 Ų | 229 | 134.4 Ų | 134.4 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -81.2 | 168.6 | -179 | -62.3 | -106.2 | 0 | 0 | 0 | 112.5 | ||||
| 683 | G | 32.4 | Very low | 34.6 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 176.8 | 86.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 684 | S | 32.4 | Very low | 34.6 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -83.8 | 168.3 | 170 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 685 | S | 35.4 | Very low | 34.8 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 115.4 | 146 | 165.9 | -58.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 686 | S | 38.3 | Very low | 35.1 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 80% | 0.797 | S | S | * | * | cis | -169.4 | 179.2 | -10.2 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 687 | N | 37.7 | Very low | 35.3 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 81.1 | 131.3 | 165 | -45.8 | -39.6 | 0 | 0 | 0 | 115.2 | ||||
| 688 | L | 34 | Very low | 35.5 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | cis | 65.9 | 132.4 | 41.1 | -52.8 | 168.6 | 0 | 0 | 0 | 110.9 | ||||
| 689 | T | 37.9 | Very low | 35.8 | Very low | 143 Ų | 143 | 141 Ų | 141 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | cis | -139.6 | 179.2 | 44.8 | 48.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 690 | N | 31.4 | Very low | 36.1 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -84.8 | 144.4 | -177.7 | 171.7 | 42.3 | 0 | 0 | 0 | 113.2 | ||||
| 691 | S | 39.5 | Very low | 36.5 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -153.8 | 148.8 | 145.3 | -160.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 692 | Q | 35.3 | Very low | 36.9 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -101.4 | 158.7 | -177.4 | -56.6 | 170 | -70.2 | 0 | 0 | 111.1 | ||||
| 693 | I | 39.5 | Very low | 37.3 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -162.3 | 152.9 | 137.8 | -103.6 | 150.3 | 0 | 0 | 0 | 109.9 | ||||
| 694 | S | 37.4 | Very low | 37.6 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -88 | 158.5 | -171 | -172.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 695 | G | 35.2 | Very low | 38.1 | Very low | 69 Ų | 69 | 143.2 Ų | 143.2 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 179.5 | 72.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 696 | S | 39.8 | Very low | 38.3 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 49.1 | 114.8 | 149.9 | -66.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 697 | H | 35.5 | Very low | 38.2 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -28.8 | 144.7 | 155.6 | -51.6 | -102.2 | 0 | 0 | 0 | 118.2 | ||||
| 698 | R | 39.8 | Very low | 38.6 | Very low | 234 Ų | 234 | 143.2 Ų | 143.2 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | -176 | 131 | 112.2 | -99.2 | 162.5 | -173.9 | -156 | 1.7 | 115 | |||||
| 699 | K | 38.8 | Very low | 38.8 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 55.4 | 114.4 | 156.7 | -61 | -172.3 | 178.1 | -173.6 | 0 | 120.1 | ||||
| 700 | P | 38.6 | Very low | 39 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -75 | 150.9 | 152.4 | 33.3 | -32.7 | 0 | 0 | 0 | 111.2 | ||||
| 701 | K | 41.4 | Very low | 39.3 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | trans | -112.9 | 135.7 | 170.1 | -74.3 | -177.6 | 176.5 | 180 | 0 | 110.1 | ||||
| 702 | S | 43.6 | Very low | 39.2 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 48 | 129 | 159.6 | 56 | 0 | 0 | 0 | 0 | 119.4 | K704 | S702-K704 PolarHBondContact O-N 3.08Š| ||
| 703 | P | 39.4 | Very low | 39.7 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135.9 | 166.3 | 29.8 | -33.8 | 0 | 0 | 0 | 110 | ||
| 704 | K | 38.1 | Very low | 39.4 | Very low | 200 Ų | 200 | 124.8 Ų | 124.8 | 87% | 0.87 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -79 | 129.2 | 172.1 | -70.1 | 180 | 177.3 | 178.8 | 0 | 109.3 | S702 | S702-K704 PolarHBondContact O-N 3.08Š|
| 705 | S | 42.6 | Very low | 39.3 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 142.5 | 170.2 | -49.6 | 0 | 0 | 0 | 0 | 110.8 | C707 | S705-C707 PolarHBondContact O-N 2.84Å; S705-C707 VanDerWaalsContact O-N 3.1Å |
| 706 | P | 40.8 | Very low | 39.5 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | trans | -67.8 | 108 | 176.1 | -18.6 | 32.2 | 0 | 0 | 0 | 111.1 | R708 | P706-R708 PolarHBondContact O-N 3.45Å; P706-R708 VanDerWaalsContact O-N 3.08Å | ||
| 707 | C | 35.7 | Very low | 39.2 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 73% | 0.73 | 70% | 0.695 | S | S | * | * | trans | -69.5 | 103.9 | 175.1 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | S705 A709 | S705-C707 PolarHBondContact O-N 2.84Å; S705-C707 VanDerWaalsContact O-N 3.1Å; C707-A709 PolarHBondContact O-N 3.27Å | ||
| 708 | R | 45.9 | Very low | 39.3 | Very low | 110 Ų | 110 | 122 Ų | 122 | 42% | 0.415 | 67% | 0.672 | S | S | . | * | trans | -81.3 | 109.5 | 169.6 | -78.3 | -172.4 | 159.4 | -176 | -10.7 | 110.4 | D174 P706 | D174-R708 IonicContact OD1-NH2 2.67Å; D174-R708 PolarHBondContact OD1-NH2 2.78Å; D174-R708 IonicContact OD2-CZ 3.99Å; D174-R708 IonicContact OD2-NH1 3.55Å; D174-R708 PolarHBondContact OD2-NH1 3.1Å; D174-R708 IonicContact OD2-NH2 3.97Å; D174-R708 PolarHBondContact OD2-NH2 3.04Å; P706-R708 PolarHBondContact O-N 3.45Å; P706-R708 VanDerWaalsContact O-N 3.08Å | ||
| 709 | A | 39.4 | Very low | 39.2 | Very low | 79 Ų | 79 | 114 Ų | 114 | 65% | 0.653 | 65% | 0.645 | S | S | * | * | trans | -81 | 145.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | C707 G711 | C707-A709 PolarHBondContact O-N 3.27Å; A709-G711 PolarHBondContact O-N 2.87Å | ||
| 710 | V | 41.9 | Very low | 39.1 | Very low | 107 Ų | 107 | 114.2 Ų | 114.2 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | trans | -67.3 | 103.7 | -179.8 | -180 | 0 | 0 | 0 | 0 | 109.9 | L192 V712 | L192-V710 HydrophobicContact CD1-CG2 4.41Å; L192-V710 HydrophobicContact CD2-CG2 4.15Å; V710-V712 PolarHBondContact O-N 3.49Å | ||
| 711 | G | 37.9 | Very low | 39.2 | Very low | 50 Ų | 50 | 112.5 Ų | 112.5 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | trans | -67 | 126.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | A709 I713 | A709-G711 PolarHBondContact O-N 2.87Å; G711-I713 PolarHBondContact O-N 3.44Å | ||
| 712 | V | 37.5 | Very low | 39.5 | Very low | 119 Ų | 119 | 104.9 Ų | 104.9 | 72% | 0.721 | 60% | 0.6 | S | S | * | * | trans | -60.9 | 130.6 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | V710 S714 | V710-V712 PolarHBondContact O-N 3.49Å; V712-S714 PolarHBondContact O-N 2.97Å | ||
| 713 | I | 44.6 | Very low | 39.3 | Very low | 67 Ų | 67 | 105.2 Ų | 105.2 | 34% | 0.344 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -75.7 | 67.4 | -174.1 | -49.6 | 178.4 | 0 | 0 | 0 | 110.2 | D107 P169 G711 I716 | D107-I713 WeakPolarHBondContact OD1-CG2 3.34Å; P169-I713 HydrophobicContact CB-CD1 3.98Å; P169-I713 HydrophobicContact CG-CD1 4.24Å; G711-I713 PolarHBondContact O-N 3.44Å; I713-I716 HydrophobicContact CG2-CD1 4.27Å; I713-I716 HydrophobicContact CG2-CG1 4.43Å |
| 714 | S | 34.6 | Very low | 39.5 | Very low | 86 Ų | 86 | 108.3 Ų | 108.3 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | trans | -107.3 | 9.9 | 178.2 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | V712 | V712-S714 PolarHBondContact O-N 2.97Š| ||
| 715 | V | 34.5 | Very low | 39.7 | Very low | 134 Ų | 134 | 99 Ų | 99 | 81% | 0.812 | 55% | 0.55 | S | S | * | . | trans | -117.7 | 24.8 | -172.5 | -156.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 716 | I | 38.3 | Very low | 39.6 | Very low | 46 Ų | 46 | 96.5 Ų | 96.5 | 24% | 0.236 | 53% | 0.528 | C | S | . | . | trans | -110.9 | 75.4 | 161.3 | -44.7 | 178 | 0 | 0 | 0 | 109.5 | S110 I713 F718 | S110-I716 WeakPolarHBondContact OG-CD1 3.46Å; S110-I716 VanDerWaalsContact OG-CG2 3.27Å; S110-I716 WeakPolarHBondContact OG-CG2 3.42Å; I713-I716 HydrophobicContact CG2-CD1 4.27Å; I713-I716 HydrophobicContact CG2-CG1 4.43Å; I716-F718 HydrophobicContact CG2-CB 4.14Å; I716-F718 PolarHBondContact O-N 3.43Å | ||
| 717 | K | 35 | Very low | 39.6 | Very low | 166 Ų | 166 | 97.8 Ų | 97.8 | 72% | 0.722 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 62.1 | 173.3 | -80.5 | -169.1 | 171.7 | -176.8 | 0 | 111.7 | ||
| 718 | F | 37.9 | Very low | 39.8 | Very low | 84 Ų | 84 | 95.7 Ų | 95.7 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 5.9 | 171.3 | -149.7 | -115.2 | 0 | 0 | 0 | 112.4 | P81 I716 H722 | P81-F718 HydrophobicContact CG-CZ 4.27Å; I716-F718 HydrophobicContact CG2-CB 4.14Å; I716-F718 PolarHBondContact O-N 3.43Å; F718-H722 AromaticContact CD1-CD2 3.81Å; F718-H722 AromaticContact CE1-CD2 3.38Å; F718-H722 WeakPolarHBondContact CE1-CD2 3.25Å; F718-H722 AromaticContact CE1-CE1 3.78Å; F718-H722 AromaticContact CE1-CG 3.73Å; F718-H722 AromaticContact CE1-ND1 3.96Å; F718-H722 AromaticContact CE1-NE2 3.47Å; F718-H722 WeakPolarHBondContact CE1-NE2 3.26Å; F718-H722 AromaticContact CZ-CD2 4Å; F718-H722 AromaticContact CZ-NE2 3.76Å |
| 719 | H | 36 | Very low | 39.3 | Very low | 65 Ų | 65 | 93.4 Ų | 93.4 | 30% | 0.301 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -28.4 | -152.6 | -153.3 | 68.9 | 0 | 0 | 0 | 116.2 | A106 N721 Q723 | A106-H719 VanDerWaalsContact CA-CE1 3.49Å; A106-H719 WeakPolarHBondContact CA-CE1 3.43Å; A106-H719 PolarHBondContact O-CE1 3.05Å; H719-N721 VanDerWaalsContact C-N 3.26Å; H719-N721 PolarHBondContact O-N 3.43Å; H719-Q723 PolarHBondContact NE2-NE2 3.09Å |
| 720 | Q | 38.3 | Very low | 39.1 | Very low | 194 Ų | 194 | 96.3 Ų | 96.3 | 91% | 0.907 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -19.1 | -173.7 | -147.8 | 75.8 | 34.2 | 0 | 0 | 114.1 | ||
| 721 | N | 40.8 | Very low | 38.7 | Very low | 100 Ų | 100 | 95.2 Ų | 95.2 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -6.6 | -160.4 | -144.8 | -37.3 | 0 | 0 | 0 | 113.8 | K78 H719 | K78-N721 WeakPolarHBondContact CD-OD1 3.29Å; K78-N721 WeakPolarHBondContact CE-OD1 3.41Å; K78-N721 PolarHBondContact NZ-O 3.47Å; K78-N721 PolarHBondContact NZ-OD1 3.35Å; H719-N721 VanDerWaalsContact C-N 3.26Å; H719-N721 PolarHBondContact O-N 3.43Å |
| 722 | H | 46 | Very low | 38.7 | Very low | 31 Ų | 31 | 96 Ų | 96 | 14% | 0.144 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -14.5 | -176.1 | -85.4 | -99.4 | 0 | 0 | 0 | 115.9 | F718 K724 M725 | F718-H722 AromaticContact CD1-CD2 3.81Å; F718-H722 AromaticContact CE1-CD2 3.38Å; F718-H722 WeakPolarHBondContact CE1-CD2 3.25Å; F718-H722 AromaticContact CE1-CE1 3.78Å; F718-H722 AromaticContact CE1-CG 3.73Å; F718-H722 AromaticContact CE1-ND1 3.96Å; F718-H722 AromaticContact CE1-NE2 3.47Å; F718-H722 WeakPolarHBondContact CE1-NE2 3.26Å; F718-H722 AromaticContact CZ-CD2 4Å; F718-H722 AromaticContact CZ-NE2 3.76Å; H722-K724 PolarHBondContact O-N 2.85Å; H722-K724 VanDerWaalsContact O-N 3.1Å; H722-M725 WeakPolarHBondContact O-CB 3.47Å; H722-M725 PolarHBondContact O-N 2.67Å |
| 723 | Q | 40.7 | Very low | 38.5 | Very low | 108 Ų | 108 | 97.5 Ų | 97.5 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14.7 | 176.9 | -68.7 | -158.2 | 1.9 | 0 | 0 | 115.2 | L109 H719 | L109-Q723 HydrophobicContact CD1-CG 4.21Å; H719-Q723 PolarHBondContact NE2-NE2 3.09Å |
| 724 | K | 42.1 | Very low | 37.8 | Very low | 195 Ų | 195 | 104.8 Ų | 104.8 | 85% | 0.848 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 1.2 | 174.4 | -63.4 | -171.2 | 176.9 | -172.5 | 0 | 114 | H722 | H722-K724 PolarHBondContact O-N 2.85Å; H722-K724 VanDerWaalsContact O-N 3.1Å |
| 725 | M | 42.4 | Very low | 38 | Very low | 5 Ų | 5 | 105.8 Ų | 105.8 | 3% | 0.025 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -98 | -7.6 | -162.1 | -111.9 | -72.8 | 162.2 | 0 | 0 | 115.3 | A76 K78 L80 H722 | A76-M725 HydrophobicContact CB-CB 4.44Å; A76-M725 HydrophobicContact CB-CE 3.42Å; A76-M725 VanDerWaalsContact CB-CE 3.42Å; A76-M725 HydrophobicContact CB-CG 3.97Å; A76-M725 HydrophobicContact CB-SD 3.36Å; A76-M725 WeakPolarHBondContact CB-SD 3.27Å; K78-M725 HydrophobicContact CB-CE 3.63Å; K78-M725 HydrophobicContact CD-CE 3.51Å; K78-M725 HydrophobicContact CD-CG 4.28Å; K78-M725 HydrophobicContact CG-CE 3.51Å; K78-M725 VanDerWaalsContact O-CE 3.3Å; K78-M725 WeakPolarHBondContact O-CE 3.42Å; L80-M725 HydrophobicContact CD1-CE 4.4Å; L80-M725 HydrophobicContact CD1-SD 3.95Å; L80-M725 HydrophobicContact CD2-CE 3.93Å; L80-M725 HydrophobicContact CD2-CG 4.13Å; L80-M725 HydrophobicContact CD2-SD 3.38Å; L80-M725 WeakPolarHBondContact CD2-SD 3.47Å; L80-M725 HydrophobicContact CG-CE 3.61Å; L80-M725 HydrophobicContact CG-SD 3.52Å; L80-M725 VanDerWaalsContact CG-SD 3.52Å; H722-M725 WeakPolarHBondContact O-CB 3.47Å; H722-M725 PolarHBondContact O-N 2.67Å |
| 726 | L | 41 | Very low | 38.1 | Very low | 49 Ų | 49 | 104.3 Ų | 104.3 | 26% | 0.257 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -129 | 130.9 | 175.7 | -71 | 150.9 | 0 | 0 | 0 | 105.2 | W112 L728 | W112-L726 HydrophobicContact CD2-CD1 4.46Å; W112-L726 HydrophobicContact CE3-CD1 3.66Å; W112-L726 HydrophobicContact CH2-CB 3.66Å; W112-L726 HydrophobicContact CH2-CD1 3.92Å; W112-L726 HydrophobicContact CH2-CD2 4.37Å; W112-L726 HydrophobicContact CH2-CG 4.17Å; W112-L726 HydrophobicContact CZ3-CB 3.57Å; W112-L726 HydrophobicContact CZ3-CD1 3.37Å; W112-L726 HydrophobicContact CZ3-CG 3.99Å; L726-L728 VanDerWaalsContact C-N 3.3Å; L726-L728 PolarHBondContact O-N 2.89Å |
| 727 | K | 41.2 | Very low | 38.1 | Very low | 151 Ų | 151 | 107.5 Ų | 107.5 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | trans | -59.8 | 101.5 | 161.2 | -83.8 | 174.6 | -168.4 | 141 | 0 | 108.4 | E75 P729 | E75-K727 HydrophobicContact CG-CD 4.28Å; E75-K727 HydrophobicContact CG-CG 4.2Å; E75-K727 WeakPolarHBondContact OE1-CB 3.19Å; E75-K727 VanDerWaalsContact OE1-CG 3.28Å; E75-K727 WeakPolarHBondContact OE1-CG 3.47Å; E75-K727 PolarHBondContact OE1-N 3.41Å; E75-K727 VanDerWaalsContact OE1-N 3.12Å; E75-K727 WeakPolarHBondContact OE2-CD 3.38Å; E75-K727 WeakPolarHBondContact OE2-CE 3.44Å; E75-K727 IonicContact OE2-NZ 3.81Å; E75-K727 PolarHBondContact OE2-NZ 2.84Å; K727-P729 WeakPolarHBondContact O-CD 3.27Å | ||
| 728 | L | 39.3 | Very low | 38.3 | Very low | 64 Ų | 64 | 104.1 Ų | 104.1 | 34% | 0.335 | 51% | 0.511 | S | S | . | . | trans | -50.6 | 121.5 | 154.8 | -66.5 | 171.8 | 0 | 0 | 0 | 106.8 | L109 W112 L726 E730 L732 | L109-L728 HydrophobicContact CD2-CD2 4.12Å; W112-L728 HydrophobicContact CZ3-CD2 4.19Å; L726-L728 VanDerWaalsContact C-N 3.3Å; L726-L728 PolarHBondContact O-N 2.89Å; L728-E730 PolarHBondContact O-N 3.05Å; L728-L732 HydrophobicContact CB-CB 4.17Å; L728-L732 HydrophobicContact CD2-CB 4.12Å; L728-L732 HydrophobicContact CD2-CD1 3.69Å | ||
| 729 | P | 35.6 | Very low | 38.3 | Very low | 62 Ų | 62 | 105.3 Ų | 105.3 | 40% | 0.403 | 52% | 0.519 | S | S | . | . | trans | -53.6 | 141.8 | 162.8 | 24.8 | -34.5 | 0 | 0 | 0 | 107.8 | K727 S731 L732 | K727-P729 WeakPolarHBondContact O-CD 3.27Å; P729-S731 PolarHBondContact O-N 2.95Å; P729-L732 HydrophobicContact CG-CD1 4.13Å; P729-L732 HydrophobicContact CG-CG 4.47Å; P729-L732 PolarHBondContact O-N 3.4Å | ||
| 730 | E | 35.5 | Very low | 38.5 | Very low | 139 Ų | 139 | 108 Ų | 108 | 65% | 0.65 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -62.2 | -15.1 | -168.4 | -62.7 | -155.9 | 102.7 | 0 | 0 | 113.9 | L728 L732 K733 | L728-E730 PolarHBondContact O-N 3.05Å; E730-L732 PolarHBondContact O-N 3.33Å; E730-L732 VanDerWaalsContact O-N 3.07Å; E730-K733 WeakPolarHBondContact O-CB 3.34Å; E730-K733 PolarHBondContact O-N 3.34Å; E730-K733 IonicContact OE1-NZ 3.12Å; E730-K733 PolarHBondContact OE1-NZ 3.2Å |
| 731 | S | 34 | Very low | 38.5 | Very low | 85 Ų | 85 | 101.9 Ų | 101.9 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -57.9 | -7.4 | 165.1 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | P729 | P729-S731 PolarHBondContact O-N 2.95Š|
| 732 | L | 36.7 | Very low | 38.3 | Very low | 66 Ų | 66 | 102 Ų | 102 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -109.5 | 19.6 | 173.7 | -66.3 | 172.7 | 0 | 0 | 0 | 113 | L728 P729 E730 L734 | L728-L732 HydrophobicContact CB-CB 4.17Å; L728-L732 HydrophobicContact CD2-CB 4.12Å; L728-L732 HydrophobicContact CD2-CD1 3.69Å; P729-L732 HydrophobicContact CG-CD1 4.13Å; P729-L732 HydrophobicContact CG-CG 4.47Å; P729-L732 PolarHBondContact O-N 3.4Å; E730-L732 PolarHBondContact O-N 3.33Å; E730-L732 VanDerWaalsContact O-N 3.07Å; L732-L734 VanDerWaalsContact C-N 3.35Å |
| 733 | K | 34.8 | Very low | 37.7 | Very low | 151 Ų | 151 | 107.9 Ų | 107.9 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | trans | -96.6 | 20.5 | 165.6 | -67.2 | -179.9 | 176.4 | 173.7 | 0 | 112.7 | E730 | E730-K733 WeakPolarHBondContact O-CB 3.34Å; E730-K733 PolarHBondContact O-N 3.34Å; E730-K733 IonicContact OE1-NZ 3.12Å; E730-K733 PolarHBondContact OE1-NZ 3.2Å | ||
| 734 | L | 28.8 | Very low | 37.4 | Very low | 220 Ų | 220 | 107.9 Ų | 107.9 | 100% | 1.152 | 54% | 0.538 | S | S | * | . | trans | -129.3 | 0 | -175.2 | -64.4 | 173.2 | 0 | 0 | 0 | 110.1 | L732 | L732-L734 VanDerWaalsContact C-N 3.35Š|
Retrieved 734 of 734 residues in 212.6 ms
(Link to these results)