| 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 | 68.8 | Low | 75.7 | Confident | 241 Ų | 241 | 116.3 Ų | 116.3 | 100% | 1.187 | 65% | 0.65 | S | S | * | * | 0 | 125 | 0 | -77.4 | -61.1 | -170.8 | 0 | 0 | 108.5 | |||||
| 2 | I | 73.4 | Confident | 76.6 | Confident | 140 Ų | 140 | 108.8 Ų | 108.8 | 72% | 0.718 | 61% | 0.606 | S | S | * | * | trans | -110.2 | 139 | 177 | -59.1 | 178.8 | 0 | 0 | 0 | 107.6 | L5 | I2-L5 HydrophobicContact CG2-CD2 3.87Š| ||
| 3 | P | 72.6 | Confident | 77.6 | Confident | 59 Ų | 59 | 111.5 Ų | 111.5 | 38% | 0.383 | 61% | 0.612 | S | S | . | * | trans | -59.5 | 154.4 | 174.5 | 25.1 | -35.8 | 0 | 0 | 0 | 112.3 | L5 H12 | P3-L5 PolarHBondContact O-N 3.3Å; P3-L5 VanDerWaalsContact O-N 3.1Å; P3-H12 VanDerWaalsContact CB-CE1 3.43Å; P3-H12 WeakPolarHBondContact CB-CE1 3.47Å; P3-H12 VanDerWaalsContact CB-ND1 3.32Å; P3-H12 WeakPolarHBondContact CB-ND1 3.17Å | ||
| 4 | P | 77.1 | Confident | 78.7 | Confident | 77 Ų | 77 | 111.2 Ų | 111.2 | 50% | 0.5 | 60% | 0.604 | S | S | . | * | trans | -53.4 | 118 | -179.4 | -29.4 | 36.7 | 0 | 0 | 0 | 112.9 | K6 S7 | P4-K6 PolarHBondContact O-N 3.14Å; P4-S7 PolarHBondContact O-N 3.48Å; P4-S7 PolarHBondContact O-OG 3.12Å | ||
| 5 | L | 73 | Confident | 79.3 | Confident | 157 Ų | 157 | 108.5 Ų | 108.5 | 82% | 0.822 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -17.3 | -169.2 | -58.6 | 175.7 | 0 | 0 | 0 | 114.6 | I2 P3 S7 | I2-L5 HydrophobicContact CG2-CD2 3.87Å; P3-L5 PolarHBondContact O-N 3.3Å; P3-L5 VanDerWaalsContact O-N 3.1Å; L5-S7 VanDerWaalsContact C-N 3.35Å |
| 6 | K | 76.5 | Confident | 80.1 | Confident | 195 Ų | 195 | 109.9 Ų | 109.9 | 85% | 0.848 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 1.8 | 176.3 | -59 | -172.8 | 178.5 | -173.6 | 0 | 113.7 | P4 | P4-K6 PolarHBondContact O-N 3.14Š|
| 7 | S | 69.4 | Low | 81 | Confident | 22 Ų | 22 | 107.2 Ų | 107.2 | 15% | 0.154 | 57% | 0.568 | C | S | . | * | S | Bend | trans | -110.4 | 134.4 | 176.9 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | P4 L5 A9 R15 | P4-S7 PolarHBondContact O-N 3.48Å; P4-S7 PolarHBondContact O-OG 3.12Å; L5-S7 VanDerWaalsContact C-N 3.35Å; S7-A9 PolarHBondContact O-N 3.38Å; S7-R15 VanDerWaalsContact CB-NE 3.34Å; S7-R15 PolarHBondContact OG-NE 3.36Å; S7-R15 PolarHBondContact OG-NH2 3.28Å |
| 8 | P | 76.4 | Confident | 81.8 | Confident | 89 Ų | 89 | 106 Ų | 106 | 58% | 0.578 | 56% | 0.561 | S | S | * | * | trans | -58 | 126.9 | 177.6 | -23.9 | 33.4 | 0 | 0 | 0 | 111.2 | A10 F11 H12 | P8-A10 VanDerWaalsContact C-N 3.26Å; P8-A10 PolarHBondContact O-N 2.95Å; P8-F11 HydrophobicContact CB-CD2 3.99Å; P8-F11 HydrophobicContact CG-CD2 4.39Å; P8-F11 PolarHBondContact O-N 3.06Å; P8-H12 PolarHBondContact O-N 2.7Å | ||
| 9 | A | 76.4 | Confident | 82.5 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -56.7 | -40.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S7 F11 H12 | S7-A9 PolarHBondContact O-N 3.38Å; A9-F11 PolarHBondContact O-N 3Å; A9-H12 WeakPolarHBondContact O-CB 3.44Å; A9-H12 PolarHBondContact O-N 3.17Å |
| 10 | A | 84.1 | Confident | 83.3 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 66% | 0.661 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -63.4 | -19.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | P8 Q14 | P8-A10 VanDerWaalsContact C-N 3.26Å; P8-A10 PolarHBondContact O-N 2.95Å; A10-Q14 PolarHBondContact O-OE1 3.35Å |
| 11 | F | 84.8 | Confident | 83.9 | Confident | 131 Ų | 131 | 103.1 Ų | 103.1 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -111.8 | 9.7 | 179.9 | -60 | -51.4 | 0 | 0 | 0 | 113.4 | P8 A9 E13 Q14 R15 | P8-F11 HydrophobicContact CB-CD2 3.99Å; P8-F11 HydrophobicContact CG-CD2 4.39Å; P8-F11 PolarHBondContact O-N 3.06Å; A9-F11 PolarHBondContact O-N 3Å; F11-E13 VanDerWaalsContact C-N 3.33Å; F11-E13 PolarHBondContact O-N 3.08Å; F11-Q14 VanDerWaalsContact CA-OE1 3.26Å; F11-Q14 PolarHBondContact O-N 3.38Å; F11-R15 VanDerWaalsContact O-CB 3.31Å; F11-R15 WeakPolarHBondContact O-CB 3.26Å; F11-R15 PolarHBondContact O-N 3.48Å |
| 12 | H | 87.2 | Confident | 85.3 | Confident | 27 Ų | 27 | 100.2 Ų | 100.2 | 13% | 0.125 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -63.6 | -37.8 | -175.8 | -179.4 | 75.1 | 0 | 0 | 0 | 112.6 | P3 P8 A9 R15 R16 | P3-H12 VanDerWaalsContact CB-CE1 3.43Å; P3-H12 WeakPolarHBondContact CB-CE1 3.47Å; P3-H12 VanDerWaalsContact CB-ND1 3.32Å; P3-H12 WeakPolarHBondContact CB-ND1 3.17Å; P8-H12 PolarHBondContact O-N 2.7Å; A9-H12 WeakPolarHBondContact O-CB 3.44Å; A9-H12 PolarHBondContact O-N 3.17Å; H12-R15 PolarHBondContact ND1-NH2 3.32Å; H12-R16 PolarHBondContact CD2-NH2 2.83Å; H12-R16 VanDerWaalsContact CD2-NH2 3.27Å; H12-R16 PolarHBondContact NE2-NE 3.45Å; H12-R16 PolarHBondContact NE2-NH2 3.08Å; H12-R16 WeakPolarHBondContact O-CB 3.45Å; H12-R16 PolarHBondContact O-N 3.29Å |
| 13 | E | 88.6 | Confident | 86.5 | Confident | 144 Ų | 144 | 97.3 Ų | 97.3 | 67% | 0.673 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.2 | -44.6 | 179.2 | 179.4 | 161.3 | -141.6 | 0 | 0 | 112.3 | F11 R15 R16 S17 | F11-E13 VanDerWaalsContact C-N 3.33Å; F11-E13 PolarHBondContact O-N 3.08Å; E13-R15 VanDerWaalsContact C-N 3.3Å; E13-R15 PolarHBondContact O-N 2.87Å; E13-R16 PolarHBondContact O-N 3Å; E13-S17 WeakPolarHBondContact O-CB 3.29Å; E13-S17 PolarHBondContact O-N 3.23Å |
| 14 | Q | 92.9 | Very high | 87.7 | Confident | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.1 | -62.7 | 80.5 | -5.3 | 0 | 0 | 110.4 | A10 F11 S17 L18 | A10-Q14 PolarHBondContact O-OE1 3.35Å; F11-Q14 VanDerWaalsContact CA-OE1 3.26Å; F11-Q14 PolarHBondContact O-N 3.38Å; Q14-S17 PolarHBondContact O-N 3.35Å; Q14-L18 VanDerWaalsContact O-CB 3.28Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 3.42Å |
| 15 | R | 88.5 | Confident | 88.7 | Confident | 70 Ų | 70 | 99 Ų | 99 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 172.5 | -176.3 | 176.7 | 66 | 84.6 | -3.3 | 111.8 | S7 F11 H12 E13 S17 L18 E19 | S7-R15 VanDerWaalsContact CB-NE 3.34Å; S7-R15 PolarHBondContact OG-NE 3.36Å; S7-R15 PolarHBondContact OG-NH2 3.28Å; F11-R15 VanDerWaalsContact O-CB 3.31Å; F11-R15 WeakPolarHBondContact O-CB 3.26Å; F11-R15 PolarHBondContact O-N 3.48Å; H12-R15 PolarHBondContact ND1-NH2 3.32Å; E13-R15 VanDerWaalsContact C-N 3.3Å; E13-R15 PolarHBondContact O-N 2.87Å; R15-S17 VanDerWaalsContact C-N 3.29Å; R15-S17 PolarHBondContact O-N 2.88Å; R15-L18 PolarHBondContact O-N 3.32Å; R15-E19 WeakPolarHBondContact CD-OE1 3.41Å; R15-E19 HydrophobicContact CG-CG 4.39Å; R15-E19 VanDerWaalsContact CG-OE1 3.24Å; R15-E19 WeakPolarHBondContact CG-OE1 3.28Å; R15-E19 IonicContact CZ-OE1 2.96Å; R15-E19 IonicContact CZ-OE2 2.67Å; R15-E19 IonicContact NE-OE1 2.69Å; R15-E19 VanDerWaalsContact NH1-CD 3.25Å; R15-E19 IonicContact NH1-OE1 3.13Å; R15-E19 PolarHBondContact NH1-OE1 2.77Å; R15-E19 IonicContact NH1-OE2 2.73Å; R15-E19 PolarHBondContact NH1-OE2 2.95Å; R15-E19 WeakPolarHBondContact O-CB 3.23Å; R15-E19 VanDerWaalsContact O-CG 3.29Å; R15-E19 WeakPolarHBondContact O-CG 3.32Å; R15-E19 PolarHBondContact O-N 3.05Å |
| 16 | R | 91.7 | Very high | 89.9 | Confident | 132 Ų | 132 | 97 Ų | 97 | 50% | 0.498 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -38.3 | 176.8 | -170.3 | -165.6 | -61.7 | 174.7 | -3.1 | 111.9 | H12 E13 R20 | H12-R16 PolarHBondContact CD2-NH2 2.83Å; H12-R16 VanDerWaalsContact CD2-NH2 3.27Å; H12-R16 PolarHBondContact NE2-NE 3.45Å; H12-R16 PolarHBondContact NE2-NH2 3.08Å; H12-R16 WeakPolarHBondContact O-CB 3.45Å; H12-R16 PolarHBondContact O-N 3.29Å; E13-R16 PolarHBondContact O-N 3Å; R16-R20 WeakPolarHBondContact O-CB 3.41Å; R16-R20 PolarHBondContact O-N 2.77Å |
| 17 | S | 95.7 | Very high | 91 | Very high | 64 Ų | 64 | 91.9 Ų | 91.9 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 176.5 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | E13 Q14 R15 R20 A21 | E13-S17 WeakPolarHBondContact O-CB 3.29Å; E13-S17 PolarHBondContact O-N 3.23Å; Q14-S17 PolarHBondContact O-N 3.35Å; R15-S17 VanDerWaalsContact C-N 3.29Å; R15-S17 PolarHBondContact O-N 2.88Å; S17-R20 WeakPolarHBondContact O-CB 3.23Å; S17-R20 PolarHBondContact O-N 3.11Å; S17-A21 WeakPolarHBondContact O-CB 3.44Å; S17-A21 PolarHBondContact O-N 3.26Å |
| 18 | L | 95.7 | Very high | 92.4 | Very high | 85 Ų | 85 | 95 Ų | 95 | 45% | 0.445 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 175.3 | 176.1 | 149.7 | 0 | 0 | 0 | 112.6 | Q14 R15 R22 | Q14-L18 VanDerWaalsContact O-CB 3.28Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 3.42Å; R15-L18 PolarHBondContact O-N 3.32Å; L18-R22 WeakPolarHBondContact O-CB 3.45Å; L18-R22 VanDerWaalsContact O-CG 3.28Å; L18-R22 WeakPolarHBondContact O-CG 3.11Å; L18-R22 PolarHBondContact O-N 3.04Å |
| 19 | E | 95.1 | Very high | 93.4 | Very high | 81 Ų | 81 | 98.7 Ų | 98.7 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 172 | -76.2 | 165.9 | -178.1 | 0 | 0 | 111.3 | R15 T23 | R15-E19 WeakPolarHBondContact CD-OE1 3.41Å; R15-E19 HydrophobicContact CG-CG 4.39Å; R15-E19 VanDerWaalsContact CG-OE1 3.24Å; R15-E19 WeakPolarHBondContact CG-OE1 3.28Å; R15-E19 IonicContact CZ-OE1 2.96Å; R15-E19 IonicContact CZ-OE2 2.67Å; R15-E19 IonicContact NE-OE1 2.69Å; R15-E19 VanDerWaalsContact NH1-CD 3.25Å; R15-E19 IonicContact NH1-OE1 3.13Å; R15-E19 PolarHBondContact NH1-OE1 2.77Å; R15-E19 IonicContact NH1-OE2 2.73Å; R15-E19 PolarHBondContact NH1-OE2 2.95Å; R15-E19 WeakPolarHBondContact O-CB 3.23Å; R15-E19 VanDerWaalsContact O-CG 3.29Å; R15-E19 WeakPolarHBondContact O-CG 3.32Å; R15-E19 PolarHBondContact O-N 3.05Å; E19-T23 WeakPolarHBondContact O-CB 3.49Å; E19-T23 PolarHBondContact O-N 3.09Å; E19-T23 VanDerWaalsContact O-N 3.15Å; E19-T23 PolarHBondContact O-OG1 2.91Å |
| 20 | R | 97.5 | Very high | 94.4 | Very high | 138 Ų | 138 | 99.5 Ų | 99.5 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -52.6 | 171.4 | -172.6 | -171.2 | -72.7 | 111.6 | -8.6 | 111.3 | R16 S17 R22 T23 E24 | R16-R20 WeakPolarHBondContact O-CB 3.41Å; R16-R20 PolarHBondContact O-N 2.77Å; S17-R20 WeakPolarHBondContact O-CB 3.23Å; S17-R20 PolarHBondContact O-N 3.11Å; R20-R22 PolarHBondContact O-N 3.19Å; R20-T23 CarbonylContact O-C 3.52Å; R20-T23 WeakPolarHBondContact O-CA 3.18Å; R20-T23 WeakPolarHBondContact O-CB 3.3Å; R20-T23 PolarHBondContact O-N 3.5Å; R20-E24 WeakPolarHBondContact CD-OE1 3.36Å; R20-E24 HydrophobicContact CG-CG 4.26Å; R20-E24 WeakPolarHBondContact CG-OE1 3.15Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 2.67Å |
| 21 | A | 97.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 101.4 Ų | 101.4 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S17 T23 E24 D25 | S17-A21 WeakPolarHBondContact O-CB 3.44Å; S17-A21 PolarHBondContact O-N 3.26Å; A21-T23 VanDerWaalsContact C-N 3.27Å; A21-T23 PolarHBondContact O-N 2.96Å; A21-E24 PolarHBondContact O-N 3.23Å; A21-D25 PolarHBondContact O-N 2.97Å |
| 22 | R | 97.8 | Very high | 95.7 | Very high | 180 Ų | 180 | 105.7 Ų | 105.7 | 68% | 0.679 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.9 | -39.7 | 172 | -77.4 | 176 | 173 | -177.8 | -1.5 | 112.5 | L18 R20 Y26 | L18-R22 WeakPolarHBondContact O-CB 3.45Å; L18-R22 VanDerWaalsContact O-CG 3.28Å; L18-R22 WeakPolarHBondContact O-CG 3.11Å; L18-R22 PolarHBondContact O-N 3.04Å; R20-R22 PolarHBondContact O-N 3.19Å; R22-Y26 VanDerWaalsContact O-CB 3.28Å; R22-Y26 WeakPolarHBondContact O-CB 3.39Å; R22-Y26 PolarHBondContact O-N 3.16Å; R22-Y26 VanDerWaalsContact O-N 3.07Å |
| 23 | T | 97.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 107.9 Ų | 107.9 | 49% | 0.485 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.3 | -44.1 | 177.8 | -54.7 | 0 | 0 | 0 | 0 | 111 | E19 R20 A21 Y26 L27 | E19-T23 WeakPolarHBondContact O-CB 3.49Å; E19-T23 PolarHBondContact O-N 3.09Å; E19-T23 VanDerWaalsContact O-N 3.15Å; E19-T23 PolarHBondContact O-OG1 2.91Å; R20-T23 CarbonylContact O-C 3.52Å; R20-T23 WeakPolarHBondContact O-CA 3.18Å; R20-T23 WeakPolarHBondContact O-CB 3.3Å; R20-T23 PolarHBondContact O-N 3.5Å; A21-T23 VanDerWaalsContact C-N 3.27Å; A21-T23 PolarHBondContact O-N 2.96Å; T23-Y26 PolarHBondContact O-N 2.78Å; T23-L27 HydrophobicContact CG2-CD1 4.04Å; T23-L27 HydrophobicContact CG2-CG 4.49Å; T23-L27 WeakPolarHBondContact O-CB 3.36Å; T23-L27 VanDerWaalsContact O-CG 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.34Å; T23-L27 PolarHBondContact O-N 3.08Å |
| 24 | E | 98.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 110.6 Ų | 110.6 | 38% | 0.379 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 174.8 | -73.1 | 177.5 | -149.3 | 0 | 0 | 112.1 | R20 A21 L27 K28 | R20-E24 WeakPolarHBondContact CD-OE1 3.36Å; R20-E24 HydrophobicContact CG-CG 4.26Å; R20-E24 WeakPolarHBondContact CG-OE1 3.15Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 2.67Å; A21-E24 PolarHBondContact O-N 3.23Å; E24-L27 CarbonylContact O-C 3.58Å; E24-L27 PolarHBondContact O-N 3.29Å; E24-K28 WeakPolarHBondContact O-CB 3.46Å; E24-K28 WeakPolarHBondContact O-CG 3.43Å; E24-K28 PolarHBondContact O-N 2.96Å; E24-K28 IonicContact OE2-NZ 2.83Å; E24-K28 PolarHBondContact OE2-NZ 3.44Å |
| 25 | D | 98.3 | Very high | 96.8 | Very high | 91 Ų | 91 | 108.2 Ų | 108.2 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.4 | -31.5 | -177.7 | -66.2 | -18.5 | 0 | 0 | 0 | 112.2 | A21 K28 R29 | A21-D25 PolarHBondContact O-N 2.97Å; D25-K28 WeakPolarHBondContact OD1-CD 3.37Å; D25-K28 IonicContact OD1-NZ 2.78Å; D25-K28 PolarHBondContact OD1-NZ 3.41Å; D25-R29 WeakPolarHBondContact O-CB 3.46Å; D25-R29 PolarHBondContact O-N 3.25Å; D25-R29 VanDerWaalsContact O-N 3.14Å |
| 26 | Y | 98.4 | Very high | 97.3 | Very high | 114 Ų | 114 | 110.3 Ų | 110.3 | 45% | 0.447 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 166 | 175.3 | -100.1 | 0 | 0 | 0 | 111.9 | R22 T23 R29 K30 | R22-Y26 VanDerWaalsContact O-CB 3.28Å; R22-Y26 WeakPolarHBondContact O-CB 3.39Å; R22-Y26 PolarHBondContact O-N 3.16Å; R22-Y26 VanDerWaalsContact O-N 3.07Å; T23-Y26 PolarHBondContact O-N 2.78Å; Y26-R29 PolarHBondContact O-N 2.83Å; Y26-K30 HydrophobicContact CD1-CG 4.46Å; Y26-K30 HydrophobicContact CD2-CG 4.49Å; Y26-K30 HydrophobicContact CE1-CG 4.01Å; Y26-K30 HydrophobicContact CE2-CG 4.03Å; Y26-K30 WeakPolarHBondContact O-CB 3.45Å; Y26-K30 WeakPolarHBondContact O-CG 3.43Å; Y26-K30 PolarHBondContact O-N 3.15Å; Y26-K30 WeakPolarHBondContact OH-CE 3.28Å |
| 27 | L | 98.6 | Very high | 97.5 | Very high | 88 Ų | 88 | 109.6 Ų | 109.6 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.5 | -45.1 | 178.5 | -71.6 | 172.1 | 0 | 0 | 0 | 112.4 | T23 E24 R29 K30 I31 | T23-L27 HydrophobicContact CG2-CD1 4.04Å; T23-L27 HydrophobicContact CG2-CG 4.49Å; T23-L27 WeakPolarHBondContact O-CB 3.36Å; T23-L27 VanDerWaalsContact O-CG 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.34Å; T23-L27 PolarHBondContact O-N 3.08Å; E24-L27 CarbonylContact O-C 3.58Å; E24-L27 PolarHBondContact O-N 3.29Å; L27-R29 PolarHBondContact O-N 3.42Å; L27-K30 CarbonylContact O-C 3.59Å; L27-K30 PolarHBondContact O-N 2.84Å; L27-I31 WeakPolarHBondContact O-CB 3.27Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.22Å; L27-I31 PolarHBondContact O-N 3.21Å |
| 28 | K | 98.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 109.9 Ų | 109.9 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -52.4 | -44.2 | 173.6 | -71.4 | 162.8 | -159.3 | 155.5 | 0 | 110.6 | E24 D25 R32 | E24-K28 WeakPolarHBondContact O-CB 3.46Å; E24-K28 WeakPolarHBondContact O-CG 3.43Å; E24-K28 PolarHBondContact O-N 2.96Å; E24-K28 IonicContact OE2-NZ 2.83Å; E24-K28 PolarHBondContact OE2-NZ 3.44Å; D25-K28 WeakPolarHBondContact OD1-CD 3.37Å; D25-K28 IonicContact OD1-NZ 2.78Å; D25-K28 PolarHBondContact OD1-NZ 3.41Å; K28-R32 VanDerWaalsContact O-CG 3.31Å; K28-R32 WeakPolarHBondContact O-CG 3.48Å; K28-R32 PolarHBondContact O-N 3.03Å |
| 29 | R | 98.2 | Very high | 97.5 | Very high | 166 Ų | 166 | 109.3 Ų | 109.3 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -48.3 | 173.9 | 174 | 167.7 | 48.9 | 158.3 | -6.5 | 112.5 | D25 Y26 L27 I31 R32 S33 | D25-R29 WeakPolarHBondContact O-CB 3.46Å; D25-R29 PolarHBondContact O-N 3.25Å; D25-R29 VanDerWaalsContact O-N 3.14Å; Y26-R29 PolarHBondContact O-N 2.83Å; L27-R29 PolarHBondContact O-N 3.42Å; R29-I31 VanDerWaalsContact C-N 3.34Å; R29-I31 PolarHBondContact O-N 2.91Å; R29-R32 PolarHBondContact O-N 2.93Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 2.85Å |
| 30 | K | 98.4 | Very high | 97.6 | Very high | 105 Ų | 105 | 107.5 Ų | 107.5 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -28.8 | -178.9 | -79.4 | -70.6 | -177.3 | -178.7 | 0 | 114.4 | Y26 L27 S33 R34 | Y26-K30 HydrophobicContact CD1-CG 4.46Å; Y26-K30 HydrophobicContact CD2-CG 4.49Å; Y26-K30 HydrophobicContact CE1-CG 4.01Å; Y26-K30 HydrophobicContact CE2-CG 4.03Å; Y26-K30 WeakPolarHBondContact O-CB 3.45Å; Y26-K30 WeakPolarHBondContact O-CG 3.43Å; Y26-K30 PolarHBondContact O-N 3.15Å; Y26-K30 WeakPolarHBondContact OH-CE 3.28Å; L27-K30 CarbonylContact O-C 3.59Å; L27-K30 PolarHBondContact O-N 2.84Å; K30-S33 CarbonylContact O-C 3.59Å; K30-R34 PolarHBondContact O-N 3.39Å |
| 31 | I | 97.9 | Very high | 97.6 | Very high | 120 Ų | 120 | 102 Ų | 102 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -72.2 | -42.8 | 174.3 | -69.2 | 164.1 | 0 | 0 | 0 | 110.3 | L27 R29 S33 R34 | L27-I31 WeakPolarHBondContact O-CB 3.27Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.22Å; L27-I31 PolarHBondContact O-N 3.21Å; R29-I31 VanDerWaalsContact C-N 3.34Å; R29-I31 PolarHBondContact O-N 2.91Å; I31-S33 VanDerWaalsContact C-N 3.31Å; I31-S33 PolarHBondContact O-N 3.19Å; I31-R34 VanDerWaalsContact O-CB 3.28Å; I31-R34 WeakPolarHBondContact O-CB 3.32Å; I31-R34 PolarHBondContact O-N 3.07Å |
| 32 | R | 97.4 | Very high | 97.6 | Very high | 220 Ų | 220 | 108 Ų | 108 | 83% | 0.83 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -35.1 | 173.6 | -70.1 | 171.3 | -175.4 | 174.2 | 1.7 | 112.6 | K28 R29 | K28-R32 VanDerWaalsContact O-CG 3.31Å; K28-R32 WeakPolarHBondContact O-CG 3.48Å; K28-R32 PolarHBondContact O-N 3.03Å; R29-R32 PolarHBondContact O-N 2.93Å |
| 33 | S | 97.1 | Very high | 97.5 | Very high | 74 Ų | 74 | 104.6 Ų | 104.6 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 34.8 | 177.6 | 80 | 0 | 0 | 0 | 0 | 113 | R29 K30 I31 P35 | R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 2.85Å; K30-S33 CarbonylContact O-C 3.59Å; I31-S33 VanDerWaalsContact C-N 3.31Å; I31-S33 PolarHBondContact O-N 3.19Å; S33-P35 WeakPolarHBondContact O-CD 3.34Å |
| 34 | R | 98.1 | Very high | 97.4 | Very high | 200 Ų | 200 | 109 Ų | 109 | 76% | 0.755 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 120.1 | -177.8 | -176.3 | 175.4 | -178.2 | -114.1 | 1.7 | 110.3 | K30 I31 | K30-R34 PolarHBondContact O-N 3.39Å; I31-R34 VanDerWaalsContact O-CB 3.28Å; I31-R34 WeakPolarHBondContact O-CB 3.32Å; I31-R34 PolarHBondContact O-N 3.07Å |
| 35 | P | 97.5 | Very high | 97.3 | Very high | 57 Ų | 57 | 110 Ų | 110 | 37% | 0.37 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -58 | 148.7 | 174.2 | -27.3 | 37 | 0 | 0 | 0 | 113.3 | S33 E39 L40 | S33-P35 WeakPolarHBondContact O-CD 3.34Å; P35-E39 HydrophobicContact CB-CG 4.31Å; P35-L40 HydrophobicContact CB-CD2 3.93Å; P35-L40 HydrophobicContact CB-CG 4.05Å; P35-L40 HydrophobicContact CG-CD2 4.4Å |
| 36 | E | 97.6 | Very high | 97.1 | Very high | 114 Ų | 114 | 109 Ų | 109 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 157.7 | 172.2 | -152.2 | -72 | 109.5 | 0 | 0 | 110.2 | S38 E39 L40 | E36-S38 VanDerWaalsContact C-N 3.33Å; E36-S38 PolarHBondContact O-N 2.9Å; E36-S38 WeakPolarHBondContact OE2-CB 3.24Å; E36-S38 PolarHBondContact OE2-N 3.07Å; E36-S38 PolarHBondContact OE2-OG 3Å; E36-E39 PolarHBondContact O-N 3.16Å; E36-L40 PolarHBondContact O-N 2.65Å; E36-L40 VanDerWaalsContact O-N 3.08Å |
| 37 | R | 95.4 | Very high | 96.8 | Very high | 117 Ų | 117 | 106.4 Ų | 106.4 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 178.1 | -177.2 | -174.1 | 163.1 | -76.5 | -0.8 | 112.2 | E39 L40 V41 L46 T49 | R37-E39 VanDerWaalsContact C-N 3.3Å; R37-E39 PolarHBondContact O-N 3.04Å; R37-L40 PolarHBondContact O-N 2.88Å; R37-V41 HydrophobicContact CG-CG2 4.42Å; R37-V41 WeakPolarHBondContact O-CG2 3.5Å; R37-V41 PolarHBondContact O-N 3.31Å; R37-L46 HydrophobicContact CG-CD1 4.03Å; R37-T49 PolarHBondContact NH2-O 3.28Å |
| 38 | S | 96.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 109.4 Ų | 109.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 177.7 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | E36 V41 R42 | E36-S38 VanDerWaalsContact C-N 3.33Å; E36-S38 PolarHBondContact O-N 2.9Å; E36-S38 WeakPolarHBondContact OE2-CB 3.24Å; E36-S38 PolarHBondContact OE2-N 3.07Å; E36-S38 PolarHBondContact OE2-OG 3Å; S38-V41 PolarHBondContact O-N 3.11Å; S38-R42 VanDerWaalsContact O-CB 3.27Å; S38-R42 WeakPolarHBondContact O-CB 3.21Å; S38-R42 PolarHBondContact O-N 3.22Å |
| 39 | E | 97.1 | Very high | 95.8 | Very high | 72 Ų | 72 | 106 Ų | 106 | 34% | 0.336 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 172.8 | 172.4 | 157 | -111.7 | 0 | 0 | 111.8 | P35 E36 R37 V41 R42 M43 | P35-E39 HydrophobicContact CB-CG 4.31Å; E36-E39 PolarHBondContact O-N 3.16Å; R37-E39 VanDerWaalsContact C-N 3.3Å; R37-E39 PolarHBondContact O-N 3.04Å; E39-V41 VanDerWaalsContact C-N 3.27Å; E39-V41 PolarHBondContact O-N 3.37Å; E39-R42 WeakPolarHBondContact O-CB 2.95Å; E39-R42 PolarHBondContact O-N 3.18Å; E39-R42 IonicContact OE1-CZ 2.74Å; E39-R42 IonicContact OE1-NH2 3.03Å; E39-R42 PolarHBondContact OE1-NH2 3.05Å; E39-M43 HydrophobicContact CG-SD 4.21Å; E39-M43 WeakPolarHBondContact O-CB 3.12Å; E39-M43 WeakPolarHBondContact O-CG 3.01Å; E39-M43 PolarHBondContact O-N 3.27Å |
| 40 | L | 97.3 | Very high | 95.1 | Very high | 44 Ų | 44 | 104.2 Ų | 104.2 | 23% | 0.23 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.4 | -31.7 | 175.5 | -63.9 | 175.5 | 0 | 0 | 0 | 112.5 | P35 E36 R37 H44 I45 L46 | P35-L40 HydrophobicContact CB-CD2 3.93Å; P35-L40 HydrophobicContact CB-CG 4.05Å; P35-L40 HydrophobicContact CG-CD2 4.4Å; E36-L40 PolarHBondContact O-N 2.65Å; E36-L40 VanDerWaalsContact O-N 3.08Å; R37-L40 PolarHBondContact O-N 2.88Å; L40-H44 PolarHBondContact O-N 3.45Å; L40-I45 HydrophobicContact CB-CB 4.38Å; L40-I45 HydrophobicContact CD2-CB 4.34Å; L40-I45 HydrophobicContact CD2-CD1 3.9Å; L40-I45 HydrophobicContact CD2-CG2 4.26Å; L40-I45 WeakPolarHBondContact O-CA 3.08Å; L40-I45 WeakPolarHBondContact O-CB 3.36Å; L40-I45 PolarHBondContact O-N 3.43Å; L40-L46 HydrophobicContact CB-CB 4.34Å; L40-L46 HydrophobicContact CB-CD1 3.8Å; L40-L46 HydrophobicContact CB-CG 3.91Å; L40-L46 HydrophobicContact CD1-CD1 3.88Å; L40-L46 HydrophobicContact CD1-CG 4.43Å; L40-L46 PolarHBondContact O-N 3.41Å; L40-L46 VanDerWaalsContact O-N 3.09Å |
| 41 | V | 95.9 | Very high | 94.5 | Very high | 22 Ų | 22 | 100.7 Ų | 100.7 | 13% | 0.133 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -71.5 | -45.5 | 172.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | R37 S38 E39 M43 H44 L46 E48 | R37-V41 HydrophobicContact CG-CG2 4.42Å; R37-V41 WeakPolarHBondContact O-CG2 3.5Å; R37-V41 PolarHBondContact O-N 3.31Å; S38-V41 PolarHBondContact O-N 3.11Å; E39-V41 VanDerWaalsContact C-N 3.27Å; E39-V41 PolarHBondContact O-N 3.37Å; V41-M43 PolarHBondContact O-N 2.83Å; V41-H44 WeakPolarHBondContact O-CA 3.33Å; V41-H44 PolarHBondContact O-N 3.17Å; V41-L46 WeakPolarHBondContact CA-O 3.48Å; V41-L46 HydrophobicContact CG2-CB 3.87Å; V41-E48 HydrophobicContact CG1-CB 3.65Å; V41-E48 HydrophobicContact CG1-CG 4.02Å |
| 42 | R | 97.1 | Very high | 94.2 | Very high | 165 Ų | 165 | 100.7 Ų | 100.7 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.8 | -36.2 | 173.7 | -179.6 | -178.1 | 69 | 84.8 | -3.5 | 112.2 | S38 E39 H44 | S38-R42 VanDerWaalsContact O-CB 3.27Å; S38-R42 WeakPolarHBondContact O-CB 3.21Å; S38-R42 PolarHBondContact O-N 3.22Å; E39-R42 WeakPolarHBondContact O-CB 2.95Å; E39-R42 PolarHBondContact O-N 3.18Å; E39-R42 IonicContact OE1-CZ 2.74Å; E39-R42 IonicContact OE1-NH2 3.03Å; E39-R42 PolarHBondContact OE1-NH2 3.05Å; R42-H44 VanDerWaalsContact C-N 3.28Å; R42-H44 PolarHBondContact O-N 3.22Å; R42-H44 PolarHBondContact O-ND1 2.98Å |
| 43 | M | 97 | Very high | 93.9 | Very high | 107 Ų | 107 | 95.3 Ų | 95.3 | 53% | 0.527 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 2.6 | 174.3 | -67.2 | -174.9 | 73 | 0 | 0 | 114.2 | E39 V41 I45 | E39-M43 HydrophobicContact CG-SD 4.21Å; E39-M43 WeakPolarHBondContact O-CB 3.12Å; E39-M43 WeakPolarHBondContact O-CG 3.01Å; E39-M43 PolarHBondContact O-N 3.27Å; V41-M43 PolarHBondContact O-N 2.83Å; M43-I45 HydrophobicContact CB-CD1 3.81Å; M43-I45 HydrophobicContact CB-CG1 3.96Å; M43-I45 HydrophobicContact CE-CD1 4.16Å; M43-I45 PolarHBondContact O-N 3.17Å; M43-I45 HydrophobicContact SD-CD1 4.24Å |
| 44 | H | 94.9 | Very high | 93.7 | Very high | 171 Ų | 171 | 95 Ų | 95 | 79% | 0.792 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 25 | -176.9 | -57.9 | 75.4 | 0 | 0 | 0 | 114.4 | L40 V41 R42 | L40-H44 PolarHBondContact O-N 3.45Å; V41-H44 WeakPolarHBondContact O-CA 3.33Å; V41-H44 PolarHBondContact O-N 3.17Å; R42-H44 VanDerWaalsContact C-N 3.28Å; R42-H44 PolarHBondContact O-N 3.22Å; R42-H44 PolarHBondContact O-ND1 2.98Å |
| 45 | I | 95.8 | Very high | 93.5 | Very high | 104 Ų | 104 | 89.2 Ų | 89.2 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -83 | -31.8 | 173.6 | -60.8 | 170.2 | 0 | 0 | 0 | 110.3 | L40 M43 | L40-I45 HydrophobicContact CB-CB 4.38Å; L40-I45 HydrophobicContact CD2-CB 4.34Å; L40-I45 HydrophobicContact CD2-CD1 3.9Å; L40-I45 HydrophobicContact CD2-CG2 4.26Å; L40-I45 WeakPolarHBondContact O-CA 3.08Å; L40-I45 WeakPolarHBondContact O-CB 3.36Å; L40-I45 PolarHBondContact O-N 3.43Å; M43-I45 HydrophobicContact CB-CD1 3.81Å; M43-I45 HydrophobicContact CB-CG1 3.96Å; M43-I45 HydrophobicContact CE-CD1 4.16Å; M43-I45 PolarHBondContact O-N 3.17Å; M43-I45 HydrophobicContact SD-CD1 4.24Å |
| 46 | L | 94.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 88.7 Ų | 88.7 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -118.8 | 148.2 | 170.1 | -66.4 | 179 | 0 | 0 | 0 | 110 | R37 L40 V41 | R37-L46 HydrophobicContact CG-CD1 4.03Å; L40-L46 HydrophobicContact CB-CB 4.34Å; L40-L46 HydrophobicContact CB-CD1 3.8Å; L40-L46 HydrophobicContact CB-CG 3.91Å; L40-L46 HydrophobicContact CD1-CD1 3.88Å; L40-L46 HydrophobicContact CD1-CG 4.43Å; L40-L46 PolarHBondContact O-N 3.41Å; L40-L46 VanDerWaalsContact O-N 3.09Å; V41-L46 WeakPolarHBondContact CA-O 3.48Å; V41-L46 HydrophobicContact CG2-CB 3.87Å |
| 47 | E | 92.6 | Very high | 93.1 | Very high | 60 Ų | 60 | 86.9 Ų | 86.9 | 28% | 0.28 | 46% | 0.462 | S | S | . | . | trans | -73.4 | 140.7 | 175.1 | -73.8 | -70.6 | 159.8 | 0 | 0 | 111.3 | T49 L60 | E47-T49 VanDerWaalsContact C-N 3.26Å; E47-T49 PolarHBondContact O-N 2.98Å; E47-L60 HydrophobicContact CG-CD1 4.44Å; E47-L60 HydrophobicContact CG-CD2 4.04Å; E47-L60 VanDerWaalsContact OE1-CD1 3.23Å; E47-L60 WeakPolarHBondContact OE1-CD1 3.46Å; E47-L60 WeakPolarHBondContact OE1-CD2 3.19Å | ||
| 48 | E | 90.7 | Very high | 93.1 | Very high | 150 Ų | 150 | 88.6 Ų | 88.6 | 70% | 0.701 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -71.4 | 82.8 | 171.9 | -169.8 | -175.1 | -159.7 | 0 | 0 | 109.7 | V41 | V41-E48 HydrophobicContact CG1-CB 3.65Å; V41-E48 HydrophobicContact CG1-CG 4.02Å |
| 49 | T | 85.6 | Confident | 93.1 | Very high | 19 Ų | 19 | 89.2 Ų | 89.2 | 12% | 0.117 | 47% | 0.467 | C | S | . | . | trans | -154.2 | 131 | -174.1 | -73.3 | 0 | 0 | 0 | 0 | 110.9 | R37 E47 A51 Q56 | R37-T49 PolarHBondContact NH2-O 3.28Å; E47-T49 VanDerWaalsContact C-N 3.26Å; E47-T49 PolarHBondContact O-N 2.98Å; T49-A51 HydrophobicContact CG2-CB 3.57Å; T49-Q56 HydrophobicContact CG2-CG 3.99Å | ||
| 50 | S | 84.1 | Confident | 92.9 | Very high | 128 Ų | 128 | 87.6 Ų | 87.6 | 90% | 0.895 | 46% | 0.461 | S | S | * | . | trans | -88.1 | 0.1 | 176.6 | -168 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 51 | A | 85.9 | Confident | 92.9 | Very high | 30 Ų | 30 | 93.4 Ų | 93.4 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -74.2 | 155.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T49 L55 Q56 Q59 | T49-A51 HydrophobicContact CG2-CB 3.57Å; A51-L55 HydrophobicContact CB-CB 4.48Å; A51-Q56 PolarHBondContact O-NE2 3.1Å; A51-Q59 VanDerWaalsContact CB-OE1 3.24Å |
| 52 | E | 89.9 | Confident | 92.9 | Very high | 121 Ų | 121 | 96.5 Ų | 96.5 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | trans | -50 | 139.2 | 176.2 | -167.1 | -161.7 | 128.8 | 0 | 0 | 112 | S54 L55 Q56 | E52-S54 PolarHBondContact O-N 2.84Å; E52-S54 VanDerWaalsContact OE1-CB 3.24Å; E52-S54 WeakPolarHBondContact OE1-CB 3.29Å; E52-S54 PolarHBondContact OE1-OG 3.42Å; E52-L55 HydrophobicContact CB-CD1 4.42Å; E52-L55 HydrophobicContact CB-CG 4.38Å; E52-L55 PolarHBondContact O-N 3.23Å; E52-Q56 PolarHBondContact O-N 2.91Å | ||
| 53 | P | 91.6 | Very high | 92.9 | Very high | 106 Ų | 106 | 94.2 Ų | 94.2 | 69% | 0.688 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -50.5 | -32.9 | -179.4 | -31.6 | 36.8 | 0 | 0 | 0 | 115.6 | L55 | P53-L55 PolarHBondContact O-N 3.15Å |
| 54 | S | 93.4 | Very high | 92.9 | Very high | 68 Ų | 68 | 96.8 Ų | 96.8 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -22.5 | 177.3 | 73.7 | 0 | 0 | 0 | 0 | 114 | E52 | E52-S54 PolarHBondContact O-N 2.84Å; E52-S54 VanDerWaalsContact OE1-CB 3.24Å; E52-S54 WeakPolarHBondContact OE1-CB 3.29Å; E52-S54 PolarHBondContact OE1-OG 3.42Å |
| 55 | L | 94.3 | Very high | 93.1 | Very high | 78 Ų | 78 | 90.6 Ų | 90.6 | 41% | 0.408 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -97.8 | -25.3 | -176.9 | -59.2 | -177 | 0 | 0 | 0 | 112.9 | A51 E52 P53 A57 K58 Q59 | A51-L55 HydrophobicContact CB-CB 4.48Å; E52-L55 HydrophobicContact CB-CD1 4.42Å; E52-L55 HydrophobicContact CB-CG 4.38Å; E52-L55 PolarHBondContact O-N 3.23Å; P53-L55 PolarHBondContact O-N 3.15Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 3.41Å; L55-K58 WeakPolarHBondContact O-CA 3.4Å; L55-K58 WeakPolarHBondContact O-CB 3.37Å; L55-K58 PolarHBondContact O-N 2.86Å; L55-Q59 PolarHBondContact O-N 3.31Å |
| 56 | Q | 93.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 93.7 Ų | 93.7 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -53.1 | -44.7 | -173.4 | -69.9 | 174.4 | 12 | 0 | 0 | 112.9 | T49 A51 E52 K58 Q59 L60 | T49-Q56 HydrophobicContact CG2-CG 3.99Å; A51-Q56 PolarHBondContact O-NE2 3.1Å; E52-Q56 PolarHBondContact O-N 2.91Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-K58 PolarHBondContact O-N 3.44Å; Q56-Q59 PolarHBondContact O-N 3.35Å; Q56-L60 WeakPolarHBondContact O-CB 3.15Å; Q56-L60 PolarHBondContact O-N 2.93Å |
| 57 | A | 93.1 | Very high | 93.4 | Very high | 76 Ų | 76 | 95 Ų | 95 | 63% | 0.628 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.5 | -35.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L55 K61 | L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 3.41Å; A57-K61 PolarHBondContact O-N 2.69Å |
| 58 | K | 95.6 | Very high | 93.6 | Very high | 153 Ų | 153 | 94.8 Ų | 94.8 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.2 | -42.3 | 175.6 | -66.2 | 175.5 | -179.3 | 169.9 | 0 | 111 | L55 Q56 K61 L62 | L55-K58 WeakPolarHBondContact O-CA 3.4Å; L55-K58 WeakPolarHBondContact O-CB 3.37Å; L55-K58 PolarHBondContact O-N 2.86Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-K58 PolarHBondContact O-N 3.44Å; K58-K61 PolarHBondContact O-N 3.14Å; K58-L62 WeakPolarHBondContact O-CB 3.32Å; K58-L62 PolarHBondContact O-N 3.3Å |
| 59 | Q | 94.9 | Very high | 94 | Very high | 84 Ų | 84 | 92.7 Ų | 92.7 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.2 | 179.7 | 167.9 | -10.3 | 0 | 0 | 111.6 | A51 L55 Q56 L62 K63 | A51-Q59 VanDerWaalsContact CB-OE1 3.24Å; L55-Q59 PolarHBondContact O-N 3.31Å; Q56-Q59 PolarHBondContact O-N 3.35Å; Q59-L62 PolarHBondContact O-N 3.31Å; Q59-K63 WeakPolarHBondContact O-CB 3.37Å; Q59-K63 PolarHBondContact O-N 3.01Å |
| 60 | L | 94.5 | Very high | 94.6 | Very high | 38 Ų | 38 | 94.7 Ų | 94.7 | 20% | 0.199 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | 173.8 | 178.8 | 58.5 | 0 | 0 | 0 | 111.8 | E47 Q56 L62 K63 R64 | E47-L60 HydrophobicContact CG-CD1 4.44Å; E47-L60 HydrophobicContact CG-CD2 4.04Å; E47-L60 VanDerWaalsContact OE1-CD1 3.23Å; E47-L60 WeakPolarHBondContact OE1-CD1 3.46Å; E47-L60 WeakPolarHBondContact OE1-CD2 3.19Å; Q56-L60 WeakPolarHBondContact O-CB 3.15Å; Q56-L60 PolarHBondContact O-N 2.93Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.71Å; L60-K63 PolarHBondContact O-N 3.49Å; L60-R64 HydrophobicContact CD1-CG 4.3Å; L60-R64 WeakPolarHBondContact O-CB 3.24Å; L60-R64 WeakPolarHBondContact O-CG 3.23Å; L60-R64 PolarHBondContact O-N 3.2Å |
| 61 | K | 96.2 | Very high | 95.3 | Very high | 167 Ų | 167 | 92.5 Ų | 92.5 | 73% | 0.726 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 175.3 | -171.4 | 175.8 | -179.3 | 179.8 | 0 | 111.6 | A57 K58 R64 A65 | A57-K61 PolarHBondContact O-N 2.69Å; K58-K61 PolarHBondContact O-N 3.14Å; K61-R64 PolarHBondContact O-N 2.88Å; K61-A65 WeakPolarHBondContact O-CB 3.15Å; K61-A65 PolarHBondContact O-N 3.08Å |
| 62 | L | 96.7 | Very high | 95.9 | Very high | 86 Ų | 86 | 96.5 Ų | 96.5 | 45% | 0.45 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 176.4 | -178 | 61.5 | 0 | 0 | 0 | 112.7 | K58 Q59 L60 A65 R66 | K58-L62 WeakPolarHBondContact O-CB 3.32Å; K58-L62 PolarHBondContact O-N 3.3Å; Q59-L62 PolarHBondContact O-N 3.31Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.71Å; L62-A65 PolarHBondContact O-N 3.17Å; L62-R66 HydrophobicContact CD1-CG 4.18Å; L62-R66 WeakPolarHBondContact O-CB 3.17Å; L62-R66 WeakPolarHBondContact O-CG 3.43Å; L62-R66 PolarHBondContact O-N 3.5Å |
| 63 | K | 96.3 | Very high | 96.3 | Very high | 118 Ų | 118 | 96.2 Ų | 96.2 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 174.4 | -174.8 | 179.3 | 179.5 | -177.4 | 0 | 110.5 | Q59 L60 L67 | Q59-K63 WeakPolarHBondContact O-CB 3.37Å; Q59-K63 PolarHBondContact O-N 3.01Å; L60-K63 PolarHBondContact O-N 3.49Å; K63-L67 VanDerWaalsContact O-CB 3.26Å; K63-L67 WeakPolarHBondContact O-CB 2.98Å; K63-L67 PolarHBondContact O-N 3.42Å; K63-L67 VanDerWaalsContact O-N 3.08Å |
| 64 | R | 97.8 | Very high | 96.6 | Very high | 160 Ų | 160 | 96.9 Ų | 96.9 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 175.8 | -69.7 | 177.7 | -172.5 | -169.7 | 2.8 | 112.9 | L60 K61 A68 | L60-R64 HydrophobicContact CD1-CG 4.3Å; L60-R64 WeakPolarHBondContact O-CB 3.24Å; L60-R64 WeakPolarHBondContact O-CG 3.23Å; L60-R64 PolarHBondContact O-N 3.2Å; K61-R64 PolarHBondContact O-N 2.88Å; R64-A68 WeakPolarHBondContact O-CB 3.26Å; R64-A68 PolarHBondContact O-N 2.96Å |
| 65 | A | 98.2 | Very high | 96.7 | Very high | 42 Ų | 42 | 99 Ų | 99 | 35% | 0.347 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -56.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K61 L62 L67 A68 D69 | K61-A65 WeakPolarHBondContact O-CB 3.15Å; K61-A65 PolarHBondContact O-N 3.08Å; L62-A65 PolarHBondContact O-N 3.17Å; A65-L67 PolarHBondContact O-N 3.36Å; A65-L67 VanDerWaalsContact O-N 3.17Å; A65-A68 CarbonylContact O-C 3.6Å; A65-A68 WeakPolarHBondContact O-CA 3.12Å; A65-A68 WeakPolarHBondContact O-CB 3.48Å; A65-A68 PolarHBondContact O-N 2.69Å; A65-D69 PolarHBondContact O-N 3.19Å; A65-D69 VanDerWaalsContact O-OD2 3.1Å |
| 66 | R | 98.1 | Very high | 96.9 | Very high | 168 Ų | 168 | 99.2 Ų | 99.2 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55.6 | -37.3 | 178.3 | -72.7 | 176.6 | 174.1 | -179.6 | -2.8 | 113.3 | L62 D69 D70 | L62-R66 HydrophobicContact CD1-CG 4.18Å; L62-R66 WeakPolarHBondContact O-CB 3.17Å; L62-R66 WeakPolarHBondContact O-CG 3.43Å; L62-R66 PolarHBondContact O-N 3.5Å; R66-D69 PolarHBondContact O-N 2.97Å; R66-D70 VanDerWaalsContact O-CB 3.23Å; R66-D70 WeakPolarHBondContact O-CB 3.38Å; R66-D70 PolarHBondContact O-N 3.01Å |
| 67 | L | 98.3 | Very high | 97 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.4 | -37.5 | 175.3 | -178.2 | 63.2 | 0 | 0 | 0 | 112 | K63 A65 L71 | K63-L67 VanDerWaalsContact O-CB 3.26Å; K63-L67 WeakPolarHBondContact O-CB 2.98Å; K63-L67 PolarHBondContact O-N 3.42Å; K63-L67 VanDerWaalsContact O-N 3.08Å; A65-L67 PolarHBondContact O-N 3.36Å; A65-L67 VanDerWaalsContact O-N 3.17Å; L67-L71 HydrophobicContact CD1-CD1 4.02Å; L67-L71 HydrophobicContact CD1-CG 4.08Å; L67-L71 HydrophobicContact CG-CD1 3.92Å; L67-L71 HydrophobicContact CG-CG 4.38Å; L67-L71 VanDerWaalsContact O-CB 3.24Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 WeakPolarHBondContact O-CG 3.15Å; L67-L71 PolarHBondContact O-N 3.28Å |
| 68 | A | 98.3 | Very high | 97.2 | Very high | 57 Ų | 57 | 109.2 Ų | 109.2 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R64 A65 N72 | R64-A68 WeakPolarHBondContact O-CB 3.26Å; R64-A68 PolarHBondContact O-N 2.96Å; A65-A68 CarbonylContact O-C 3.6Å; A65-A68 WeakPolarHBondContact O-CA 3.12Å; A65-A68 WeakPolarHBondContact O-CB 3.48Å; A65-A68 PolarHBondContact O-N 2.69Å; A68-N72 WeakPolarHBondContact O-CB 3.27Å; A68-N72 PolarHBondContact O-N 2.94Å |
| 69 | D | 98.3 | Very high | 97.2 | Very high | 105 Ų | 105 | 104.4 Ų | 104.4 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -50.3 | 177.6 | -54.1 | -37 | 0 | 0 | 0 | 111.1 | A65 R66 N72 E73 | A65-D69 PolarHBondContact O-N 3.19Å; A65-D69 VanDerWaalsContact O-OD2 3.1Å; R66-D69 PolarHBondContact O-N 2.97Å; D69-N72 PolarHBondContact O-N 2.78Å; D69-E73 PolarHBondContact O-N 2.99Å |
| 70 | D | 98.5 | Very high | 97.3 | Very high | 61 Ų | 61 | 101.7 Ų | 101.7 | 33% | 0.326 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.4 | 169.2 | 88.4 | 0 | 0 | 0 | 112.9 | R66 K74 | R66-D70 VanDerWaalsContact O-CB 3.23Å; R66-D70 WeakPolarHBondContact O-CB 3.38Å; R66-D70 PolarHBondContact O-N 3.01Å; D70-K74 WeakPolarHBondContact O-CD 3.32Å; D70-K74 WeakPolarHBondContact O-CG 3.44Å; D70-K74 PolarHBondContact O-N 3.38Å; D70-K74 VanDerWaalsContact O-N 3.1Å; D70-K74 WeakPolarHBondContact OD1-CE 3.46Å; D70-K74 IonicContact OD1-NZ 2.71Å; D70-K74 PolarHBondContact OD1-NZ 3.44Å; D70-K74 WeakPolarHBondContact OD2-CE 3.44Å; D70-K74 IonicContact OD2-NZ 3.31Å; D70-K74 PolarHBondContact OD2-NZ 3.19Å |
| 71 | L | 98.4 | Very high | 97.2 | Very high | 82 Ų | 82 | 104.1 Ų | 104.1 | 43% | 0.429 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 174.9 | -72.1 | 173.5 | 0 | 0 | 0 | 111.7 | L67 K74 I75 | L67-L71 HydrophobicContact CD1-CD1 4.02Å; L67-L71 HydrophobicContact CD1-CG 4.08Å; L67-L71 HydrophobicContact CG-CD1 3.92Å; L67-L71 HydrophobicContact CG-CG 4.38Å; L67-L71 VanDerWaalsContact O-CB 3.24Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 WeakPolarHBondContact O-CG 3.15Å; L67-L71 PolarHBondContact O-N 3.28Å; L71-K74 PolarHBondContact O-N 2.89Å; L71-I75 VanDerWaalsContact O-CB 3.32Å; L71-I75 WeakPolarHBondContact O-CB 3.38Å; L71-I75 WeakPolarHBondContact O-CD1 3.46Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 3.36Å |
| 72 | N | 98.2 | Very high | 96.9 | Very high | 114 Ų | 114 | 100.3 Ų | 100.3 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 178.3 | -172.6 | 78.2 | 0 | 0 | 0 | 111.6 | A68 D69 I75 A76 | A68-N72 WeakPolarHBondContact O-CB 3.27Å; A68-N72 PolarHBondContact O-N 2.94Å; D69-N72 PolarHBondContact O-N 2.78Å; N72-I75 PolarHBondContact O-N 2.83Å; N72-A76 WeakPolarHBondContact O-CB 3.33Å; N72-A76 PolarHBondContact O-N 3.28Å |
| 73 | E | 97.6 | Very high | 96.7 | Very high | 115 Ų | 115 | 99.6 Ų | 99.6 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 171.1 | -175.6 | 177.1 | 176 | 0 | 0 | 111.6 | D69 I75 A76 Q77 | D69-E73 PolarHBondContact O-N 2.99Å; E73-I75 VanDerWaalsContact C-N 3.27Å; E73-I75 PolarHBondContact O-N 3.24Å; E73-A76 PolarHBondContact O-N 3.5Å; E73-A76 VanDerWaalsContact O-N 3.15Å; E73-Q77 PolarHBondContact O-N 2.87Å; E73-Q77 PolarHBondContact OE1-NE2 2.56Å |
| 74 | K | 98 | Very high | 96.6 | Very high | 121 Ų | 121 | 96.3 Ų | 96.3 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -28.5 | 178.6 | -72.1 | 166.5 | -175.9 | 166.3 | 0 | 113.6 | D70 L71 R78 | D70-K74 WeakPolarHBondContact O-CD 3.32Å; D70-K74 WeakPolarHBondContact O-CG 3.44Å; D70-K74 PolarHBondContact O-N 3.38Å; D70-K74 VanDerWaalsContact O-N 3.1Å; D70-K74 WeakPolarHBondContact OD1-CE 3.46Å; D70-K74 IonicContact OD1-NZ 2.71Å; D70-K74 PolarHBondContact OD1-NZ 3.44Å; D70-K74 WeakPolarHBondContact OD2-CE 3.44Å; D70-K74 IonicContact OD2-NZ 3.31Å; D70-K74 PolarHBondContact OD2-NZ 3.19Å; L71-K74 PolarHBondContact O-N 2.89Å; K74-R78 PolarHBondContact O-N 3.27Å |
| 75 | I | 97 | Very high | 96.3 | Very high | 111 Ų | 111 | 89 Ų | 89 | 57% | 0.569 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -80.3 | -34.2 | 174.6 | -70 | 164.1 | 0 | 0 | 0 | 111.1 | L71 N72 E73 R78 | L71-I75 VanDerWaalsContact O-CB 3.32Å; L71-I75 WeakPolarHBondContact O-CB 3.38Å; L71-I75 WeakPolarHBondContact O-CD1 3.46Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 3.36Å; N72-I75 PolarHBondContact O-N 2.83Å; E73-I75 VanDerWaalsContact C-N 3.27Å; E73-I75 PolarHBondContact O-N 3.24Å; I75-R78 WeakPolarHBondContact O-CB 3.34Å; I75-R78 PolarHBondContact O-N 2.78Å |
| 76 | A | 96.8 | Very high | 95.9 | Very high | 84 Ų | 84 | 91.7 Ų | 91.7 | 69% | 0.694 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.5 | -37 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N72 E73 R78 | N72-A76 WeakPolarHBondContact O-CB 3.33Å; N72-A76 PolarHBondContact O-N 3.28Å; E73-A76 PolarHBondContact O-N 3.5Å; E73-A76 VanDerWaalsContact O-N 3.15Å; A76-R78 VanDerWaalsContact C-N 3.26Å; A76-R78 PolarHBondContact O-N 2.89Å |
| 77 | Q | 96.3 | Very high | 95.6 | Very high | 136 Ų | 136 | 88.9 Ų | 88.9 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 15.9 | 174.5 | -61.6 | 177.3 | 23.2 | 0 | 0 | 113.3 | E73 P79 | E73-Q77 PolarHBondContact O-N 2.87Å; E73-Q77 PolarHBondContact OE1-NE2 2.56Å; Q77-P79 WeakPolarHBondContact O-CD 3.44Å |
| 78 | R | 97.2 | Very high | 95.1 | Very high | 195 Ų | 195 | 89.3 Ų | 89.3 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 121.9 | -175.8 | 179.9 | 179.6 | -179.9 | 177.4 | 1.7 | 111.1 | K74 I75 A76 G80 | K74-R78 PolarHBondContact O-N 3.27Å; I75-R78 WeakPolarHBondContact O-CB 3.34Å; I75-R78 PolarHBondContact O-N 2.78Å; A76-R78 VanDerWaalsContact C-N 3.26Å; A76-R78 PolarHBondContact O-N 2.89Å; R78-G80 PolarHBondContact O-N 3.38Å |
| 79 | P | 96 | Very high | 94.9 | Very high | 53 Ų | 53 | 92 Ų | 92 | 34% | 0.344 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 135.6 | 178.7 | -29.9 | 37.5 | 0 | 0 | 0 | 113.7 | Q77 E83 L84 | Q77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-E83 VanDerWaalsContact CA-OE1 3.32Å; P79-E83 WeakPolarHBondContact CA-OE1 3.17Å; P79-E83 HydrophobicContact CB-CB 4.31Å; P79-L84 HydrophobicContact CB-CD2 4.15Å; P79-L84 HydrophobicContact CB-CG 4.33Å |
| 80 | G | 95.8 | Very high | 94.5 | Very high | 26 Ų | 26 | 90.5 Ų | 90.5 | 27% | 0.268 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 159.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R78 M82 E83 L84 | R78-G80 PolarHBondContact O-N 3.38Å; G80-M82 PolarHBondContact O-N 2.85Å; G80-E83 PolarHBondContact N-OE1 3.33Å; G80-E83 WeakPolarHBondContact O-CB 3.47Å; G80-E83 PolarHBondContact O-N 2.84Å; G80-L84 PolarHBondContact O-N 2.79Å |
| 81 | P | 93.4 | Very high | 93.9 | Very high | 89 Ų | 89 | 93.6 Ų | 93.6 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -30.7 | 179.6 | 24.7 | -33.8 | 0 | 0 | 0 | 112.9 | L84 V85 | P81-L84 PolarHBondContact O-N 2.93Å; P81-V85 WeakPolarHBondContact O-CG2 3.35Å; P81-V85 PolarHBondContact O-N 3.39Å; P81-V85 VanDerWaalsContact O-N 3.16Å |
| 82 | M | 90.2 | Very high | 93.1 | Very high | 87 Ų | 87 | 91.8 Ų | 91.8 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 175.9 | -63.1 | -68.9 | 89.6 | 0 | 0 | 112.3 | G80 L84 V85 E86 I100 | G80-M82 PolarHBondContact O-N 2.85Å; M82-L84 PolarHBondContact O-N 2.91Å; M82-V85 HydrophobicContact CE-CG2 4.14Å; M82-V85 WeakPolarHBondContact O-CB 3.23Å; M82-V85 PolarHBondContact O-N 3.01Å; M82-E86 WeakPolarHBondContact O-CG 3.48Å; M82-E86 PolarHBondContact O-N 3.49Å; M82-I100 HydrophobicContact SD-CD1 4.46Å |
| 83 | E | 91.4 | Very high | 92 | Very high | 72 Ų | 72 | 94 Ų | 94 | 34% | 0.336 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 172 | -65 | 176 | -116 | 0 | 0 | 112 | P79 G80 V85 E86 K87 | P79-E83 VanDerWaalsContact CA-OE1 3.32Å; P79-E83 WeakPolarHBondContact CA-OE1 3.17Å; P79-E83 HydrophobicContact CB-CB 4.31Å; G80-E83 PolarHBondContact N-OE1 3.33Å; G80-E83 WeakPolarHBondContact O-CB 3.47Å; G80-E83 PolarHBondContact O-N 2.84Å; E83-V85 VanDerWaalsContact C-N 3.3Å; E83-E86 PolarHBondContact O-N 2.93Å; E83-K87 HydrophobicContact CB-CD 4.37Å; E83-K87 WeakPolarHBondContact O-CB 3.33Å; E83-K87 VanDerWaalsContact O-CD 3.28Å; E83-K87 WeakPolarHBondContact O-CD 3.45Å; E83-K87 WeakPolarHBondContact O-CG 3.39Å; E83-K87 PolarHBondContact O-N 2.89Å; E83-K87 IonicContact OE2-NZ 2.65Å; E83-K87 PolarHBondContact OE2-NZ 3.27Å |
| 84 | L | 95.4 | Very high | 90.7 | Very high | 48 Ų | 48 | 92.6 Ų | 92.6 | 25% | 0.251 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.7 | -26.9 | 178.2 | -63.9 | 174.2 | 0 | 0 | 0 | 112.2 | P79 G80 P81 M82 N88 I89 L90 | P79-L84 HydrophobicContact CB-CD2 4.15Å; P79-L84 HydrophobicContact CB-CG 4.33Å; G80-L84 PolarHBondContact O-N 2.79Å; P81-L84 PolarHBondContact O-N 2.93Å; M82-L84 PolarHBondContact O-N 2.91Å; L84-N88 PolarHBondContact O-N 3.24Å; L84-I89 HydrophobicContact CB-CB 4.48Å; L84-I89 HydrophobicContact CD2-CB 4.48Å; L84-I89 HydrophobicContact CD2-CD1 3.86Å; L84-I89 WeakPolarHBondContact O-CA 3.42Å; L84-I89 WeakPolarHBondContact O-CB 3.43Å; L84-I89 PolarHBondContact O-N 2.92Å; L84-L90 HydrophobicContact CB-CD1 3.74Å; L84-L90 HydrophobicContact CB-CG 3.83Å; L84-L90 HydrophobicContact CD1-CD1 4.2Å; L84-L90 PolarHBondContact O-N 2.91Å |
| 85 | V | 91.1 | Very high | 89 | Confident | 7 Ų | 7 | 91.6 Ų | 91.6 | 4% | 0.042 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -73 | -46.8 | 169.9 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | P81 M82 E83 K87 N88 L90 V92 | P81-V85 WeakPolarHBondContact O-CG2 3.35Å; P81-V85 PolarHBondContact O-N 3.39Å; P81-V85 VanDerWaalsContact O-N 3.16Å; M82-V85 HydrophobicContact CE-CG2 4.14Å; M82-V85 WeakPolarHBondContact O-CB 3.23Å; M82-V85 PolarHBondContact O-N 3.01Å; E83-V85 VanDerWaalsContact C-N 3.3Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 2.9Å; V85-N88 WeakPolarHBondContact O-CA 3.47Å; V85-N88 PolarHBondContact O-N 2.71Å; V85-L90 HydrophobicContact CG2-CB 3.8Å; V85-V92 HydrophobicContact CB-CG2 4.25Å; V85-V92 HydrophobicContact CG1-CB 3.97Å; V85-V92 HydrophobicContact CG1-CG2 3.6Å; V85-V92 HydrophobicContact CG2-CG2 3.53Å |
| 86 | E | 90.6 | Very high | 87.5 | Confident | 99 Ų | 99 | 90.4 Ų | 90.4 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 175.4 | -70 | 166.6 | -166.5 | 0 | 0 | 111.9 | M82 E83 N88 | M82-E86 WeakPolarHBondContact O-CG 3.48Å; M82-E86 PolarHBondContact O-N 3.49Å; E83-E86 PolarHBondContact O-N 2.93Å; E86-N88 PolarHBondContact O-N 2.98Å; E86-N88 PolarHBondContact O-ND2 3.45Å; E86-N88 VanDerWaalsContact O-ND2 3.08Å |
| 87 | K | 91.7 | Very high | 85.8 | Confident | 108 Ų | 108 | 89.4 Ų | 89.4 | 47% | 0.47 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 2.5 | 174.7 | -67.6 | 161.6 | -172.5 | 169.8 | 0 | 113.1 | E83 V85 I89 | E83-K87 HydrophobicContact CB-CD 4.37Å; E83-K87 WeakPolarHBondContact O-CB 3.33Å; E83-K87 VanDerWaalsContact O-CD 3.28Å; E83-K87 WeakPolarHBondContact O-CD 3.45Å; E83-K87 WeakPolarHBondContact O-CG 3.39Å; E83-K87 PolarHBondContact O-N 2.89Å; E83-K87 IonicContact OE2-NZ 2.65Å; E83-K87 PolarHBondContact OE2-NZ 3.27Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 2.9Å; K87-I89 HydrophobicContact CB-CD1 3.91Å; K87-I89 HydrophobicContact CB-CG1 4.16Å; K87-I89 PolarHBondContact O-N 3.37Å |
| 88 | N | 87.6 | Confident | 84.3 | Confident | 105 Ų | 105 | 89.4 Ų | 89.4 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 17.9 | 178.8 | -52.4 | -93.2 | 0 | 0 | 0 | 114.9 | L84 V85 E86 K97 | L84-N88 PolarHBondContact O-N 3.24Å; V85-N88 WeakPolarHBondContact O-CA 3.47Å; V85-N88 PolarHBondContact O-N 2.71Å; E86-N88 PolarHBondContact O-N 2.98Å; E86-N88 PolarHBondContact O-ND2 3.45Å; E86-N88 VanDerWaalsContact O-ND2 3.08Å; N88-K97 WeakPolarHBondContact OD1-CE 3.46Å; N88-K97 PolarHBondContact OD1-NZ 3.32Å |
| 89 | I | 92.5 | Very high | 82.6 | Confident | 113 Ų | 113 | 81.1 Ų | 81.1 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -84.9 | -34.1 | -179.3 | -60.1 | 167.8 | 0 | 0 | 0 | 110.6 | L84 K87 | L84-I89 HydrophobicContact CB-CB 4.48Å; L84-I89 HydrophobicContact CD2-CB 4.48Å; L84-I89 HydrophobicContact CD2-CD1 3.86Å; L84-I89 WeakPolarHBondContact O-CA 3.42Å; L84-I89 WeakPolarHBondContact O-CB 3.43Å; L84-I89 PolarHBondContact O-N 2.92Å; K87-I89 HydrophobicContact CB-CD1 3.91Å; K87-I89 HydrophobicContact CB-CG1 4.16Å; K87-I89 PolarHBondContact O-N 3.37Å |
| 90 | L | 91.4 | Very high | 81 | Confident | 74 Ų | 74 | 80 Ų | 80 | 39% | 0.387 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -104.7 | 128.5 | 172.3 | -66.8 | 179.1 | 0 | 0 | 0 | 110.7 | L84 V85 | L84-L90 HydrophobicContact CB-CD1 3.74Å; L84-L90 HydrophobicContact CB-CG 3.83Å; L84-L90 HydrophobicContact CD1-CD1 4.2Å; L84-L90 PolarHBondContact O-N 2.91Å; V85-L90 HydrophobicContact CG2-CB 3.8Å |
| 91 | P | 85.2 | Confident | 79.5 | Confident | 126 Ų | 126 | 83.9 Ų | 83.9 | 82% | 0.818 | 45% | 0.451 | S | S | * | . | trans | -75.2 | 139.8 | 178.5 | 31 | -34.5 | 0 | 0 | 0 | 111.5 | ||||
| 92 | V | 82.3 | Confident | 78.1 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | trans | -143 | 145 | 175.8 | 168.3 | 0 | 0 | 0 | 0 | 108.7 | V85 S94 L96 K97 | V85-V92 HydrophobicContact CB-CG2 4.25Å; V85-V92 HydrophobicContact CG1-CB 3.97Å; V85-V92 HydrophobicContact CG1-CG2 3.6Å; V85-V92 HydrophobicContact CG2-CG2 3.53Å; V92-S94 PolarHBondContact O-N 2.82Å; V92-L96 HydrophobicContact CG1-CB 3.89Å; V92-L96 HydrophobicContact CG1-CD2 3.86Å; V92-L96 HydrophobicContact CG1-CG 4.4Å; V92-K97 HydrophobicContact CG1-CB 4.38Å | ||
| 93 | E | 74.2 | Confident | 76.5 | Confident | 160 Ų | 160 | 83.5 Ų | 83.5 | 75% | 0.748 | 46% | 0.464 | S | S | * | . | trans | -43.4 | 124.8 | 171.9 | -74.7 | -67.7 | 168.6 | 0 | 0 | 111.9 | S95 L96 K97 | E93-S95 PolarHBondContact O-N 3.18Å; E93-L96 PolarHBondContact O-N 2.82Å; E93-K97 PolarHBondContact O-N 2.69Å | ||
| 94 | S | 70.9 | Confident | 74.9 | Confident | 86 Ų | 86 | 87.8 Ų | 87.8 | 60% | 0.601 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -54.9 | -37.1 | -167.2 | -53 | 0 | 0 | 0 | 0 | 113.6 | V92 K97 E98 | V92-S94 PolarHBondContact O-N 2.82Å; S94-K97 PolarHBondContact O-N 3.23Å; S94-E98 PolarHBondContact O-N 3.08Å |
| 95 | S | 62.4 | Low | 72.6 | Confident | 100 Ų | 100 | 88.2 Ų | 88.2 | 70% | 0.699 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -41 | 177 | -178.1 | 0 | 0 | 0 | 0 | 112.9 | E93 A99 | E93-S95 PolarHBondContact O-N 3.18Å; S95-A99 WeakPolarHBondContact O-CB 3.48Å; S95-A99 PolarHBondContact O-N 2.84Å |
| 96 | L | 64.8 | Low | 70.6 | Confident | 86 Ų | 86 | 95.1 Ų | 95.1 | 45% | 0.45 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -37.1 | 177.2 | -159.9 | 85.8 | 0 | 0 | 0 | 111 | V92 E93 A99 I100 | V92-L96 HydrophobicContact CG1-CB 3.89Å; V92-L96 HydrophobicContact CG1-CD2 3.86Å; V92-L96 HydrophobicContact CG1-CG 4.4Å; E93-L96 PolarHBondContact O-N 2.82Å; L96-A99 PolarHBondContact O-N 2.89Å; L96-I100 HydrophobicContact CD2-CD1 4.16Å; L96-I100 HydrophobicContact CG-CD1 4.16Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 2.84Å |
| 97 | K | 62.5 | Low | 68.4 | Low | 62 Ų | 62 | 98.2 Ų | 98.2 | 27% | 0.27 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.8 | -173.1 | -174.7 | 178.2 | -171.7 | 0 | 111.9 | N88 V92 E93 S94 I100 I101 | N88-K97 WeakPolarHBondContact OD1-CE 3.46Å; N88-K97 PolarHBondContact OD1-NZ 3.32Å; V92-K97 HydrophobicContact CG1-CB 4.38Å; E93-K97 PolarHBondContact O-N 2.69Å; S94-K97 PolarHBondContact O-N 3.23Å; K97-I100 PolarHBondContact O-N 3.33Å; K97-I101 HydrophobicContact CG-CD1 4.02Å; K97-I101 VanDerWaalsContact O-CG1 3.32Å; K97-I101 WeakPolarHBondContact O-CG1 3.36Å; K97-I101 PolarHBondContact O-N 3.09Å; K97-I101 VanDerWaalsContact O-N 3.09Å |
| 98 | E | 63.5 | Low | 66.2 | Low | 136 Ų | 136 | 98.4 Ų | 98.4 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 173.6 | -72.4 | -177.6 | -177.8 | 0 | 0 | 111.7 | S94 I100 I101 V102 | S94-E98 PolarHBondContact O-N 3.08Å; E98-I100 VanDerWaalsContact C-N 3.29Å; E98-I100 PolarHBondContact O-N 3.19Å; E98-I101 PolarHBondContact O-N 3.45Å; E98-V102 VanDerWaalsContact O-CB 3.29Å; E98-V102 WeakPolarHBondContact O-CB 3.47Å; E98-V102 VanDerWaalsContact O-CG2 3.26Å; E98-V102 WeakPolarHBondContact O-CG2 3.45Å; E98-V102 PolarHBondContact O-N 2.88Å |
| 99 | A | 61.6 | Low | 64 | Low | 22 Ų | 22 | 101 Ų | 101 | 18% | 0.182 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -61.2 | -34.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S95 L96 G103 Q104 | S95-A99 WeakPolarHBondContact O-CB 3.48Å; S95-A99 PolarHBondContact O-N 2.84Å; L96-A99 PolarHBondContact O-N 2.89Å; A99-G103 PolarHBondContact O-N 3.22Å; A99-Q104 PolarHBondContact O-N 3.04Å |
| 100 | I | 62.7 | Low | 61.4 | Low | 29 Ų | 29 | 102.3 Ų | 102.3 | 15% | 0.149 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -70.1 | -51.9 | 174.1 | -69.3 | 163.6 | 0 | 0 | 0 | 110.4 | M82 L96 K97 E98 V102 G103 V105 | M82-I100 HydrophobicContact SD-CD1 4.46Å; L96-I100 HydrophobicContact CD2-CD1 4.16Å; L96-I100 HydrophobicContact CG-CD1 4.16Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 2.84Å; K97-I100 PolarHBondContact O-N 3.33Å; E98-I100 VanDerWaalsContact C-N 3.29Å; E98-I100 PolarHBondContact O-N 3.19Å; I100-V102 VanDerWaalsContact C-N 3.31Å; I100-V102 PolarHBondContact O-N 3.36Å; I100-G103 PolarHBondContact O-N 3.31Å; I100-V105 HydrophobicContact CB-CG2 4.43Å; I100-V105 HydrophobicContact CG1-CG2 3.73Å |
| 101 | I | 64.3 | Low | 59 | Low | 107 Ų | 107 | 102.4 Ų | 102.4 | 55% | 0.549 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -32.8 | -177.1 | -67.2 | 168.7 | 0 | 0 | 0 | 112.1 | K97 E98 G103 | K97-I101 HydrophobicContact CG-CD1 4.02Å; K97-I101 VanDerWaalsContact O-CG1 3.32Å; K97-I101 WeakPolarHBondContact O-CG1 3.36Å; K97-I101 PolarHBondContact O-N 3.09Å; K97-I101 VanDerWaalsContact O-N 3.09Å; E98-I101 PolarHBondContact O-N 3.45Å; I101-G103 VanDerWaalsContact C-N 3.25Å; I101-G103 PolarHBondContact O-N 3.4Å |
| 102 | V | 63.2 | Low | 56.7 | Low | 108 Ų | 108 | 101.8 Ų | 101.8 | 66% | 0.655 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -2.6 | 176 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | E98 I100 Q104 | E98-V102 VanDerWaalsContact O-CB 3.29Å; E98-V102 WeakPolarHBondContact O-CB 3.47Å; E98-V102 VanDerWaalsContact O-CG2 3.26Å; E98-V102 WeakPolarHBondContact O-CG2 3.45Å; E98-V102 PolarHBondContact O-N 2.88Å; I100-V102 VanDerWaalsContact C-N 3.31Å; I100-V102 PolarHBondContact O-N 3.36Å; V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 2.85Å |
| 103 | G | 58 | Low | 55 | Low | 61 Ų | 61 | 105.8 Ų | 105.8 | 63% | 0.629 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.6 | 22.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A99 I100 I101 | A99-G103 PolarHBondContact O-N 3.22Å; I100-G103 PolarHBondContact O-N 3.31Å; I101-G103 VanDerWaalsContact C-N 3.25Å; I101-G103 PolarHBondContact O-N 3.4Å |
| 104 | Q | 56.8 | Low | 53.6 | Low | 162 Ų | 162 | 103.4 Ų | 103.4 | 76% | 0.757 | 60% | 0.598 | S | S | * | * | trans | -88 | -15.8 | -172.8 | -154.8 | 171.8 | 40.7 | 0 | 0 | 113.4 | A99 V102 | A99-Q104 PolarHBondContact O-N 3.04Å; V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 2.85Å | ||
| 105 | V | 46.9 | Very low | 52.3 | Low | 56 Ų | 56 | 104.6 Ų | 104.6 | 34% | 0.339 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -94.2 | 105.2 | 168.4 | -82.3 | 0 | 0 | 0 | 0 | 111.2 | I100 Y107 | I100-V105 HydrophobicContact CB-CG2 4.43Å; I100-V105 HydrophobicContact CG1-CG2 3.73Å; V105-Y107 HydrophobicContact CB-CD2 4.36Å; V105-Y107 HydrophobicContact CB-CE2 4.12Å; V105-Y107 HydrophobicContact CG2-CD2 4.37Å; V105-Y107 HydrophobicContact CG2-CE2 4.07Å; V105-Y107 PolarHBondContact O-N 2.94Å |
| 106 | N | 49.6 | Very low | 50.7 | Low | 153 Ų | 153 | 108.1 Ų | 108.1 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | trans | -72.6 | 97 | 173.2 | -173.5 | -40 | 0 | 0 | 0 | 110.3 | ||||
| 107 | Y | 44.8 | Very low | 49.5 | Very low | 163 Ų | 163 | 112.2 Ų | 112.2 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | trans | -85 | 140.9 | 156.4 | -73.5 | -87.8 | 0 | 0 | 0 | 109.1 | V105 K109 | V105-Y107 HydrophobicContact CB-CD2 4.36Å; V105-Y107 HydrophobicContact CB-CE2 4.12Å; V105-Y107 HydrophobicContact CG2-CD2 4.37Å; V105-Y107 HydrophobicContact CG2-CE2 4.07Å; V105-Y107 PolarHBondContact O-N 2.94Å; Y107-K109 PolarHBondContact O-N 2.92Å | ||
| 108 | P | 46 | Very low | 48.6 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | trans | -65.1 | 101 | 178.3 | 26.7 | -33.8 | 0 | 0 | 0 | 110 | V110 | P108-V110 PolarHBondContact O-N 3.22Š| ||
| 109 | K | 39.8 | Very low | 47.3 | Very low | 160 Ų | 160 | 116.9 Ų | 116.9 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | trans | -62.7 | 103.1 | 177.6 | -173.7 | -172.9 | 177.4 | -156.2 | 0 | 109.2 | Y107 A111 D112 | Y107-K109 PolarHBondContact O-N 2.92Å; K109-A111 PolarHBondContact O-N 3.1Å; K109-D112 IonicContact NZ-OD1 3.41Å; K109-D112 PolarHBondContact NZ-OD1 3.22Å; K109-D112 IonicContact NZ-OD2 2.66Å; K109-D112 PolarHBondContact NZ-OD2 2.93Å | ||
| 110 | V | 38.6 | Very low | 46.4 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 84% | 0.842 | 69% | 0.687 | S | S | * | * | trans | -61.7 | 115 | 163.3 | -79.3 | 0 | 0 | 0 | 0 | 107.9 | P108 D112 | P108-V110 PolarHBondContact O-N 3.22Å; V110-D112 PolarHBondContact O-N 3.39Å | ||
| 111 | A | 42 | Very low | 45.5 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -77.4 | 121.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111 | K109 S113 | K109-A111 PolarHBondContact O-N 3.1Å; A111-S113 PolarHBondContact O-N 2.81Å | ||
| 112 | D | 35.7 | Very low | 44.3 | Very low | 112 Ų | 112 | 127 Ų | 127 | 60% | 0.599 | 73% | 0.728 | S | S | * | * | trans | 40.3 | 70.5 | 132.6 | -45.5 | -22.7 | 0 | 0 | 0 | 114.9 | K109 V110 S114 | K109-D112 IonicContact NZ-OD1 3.41Å; K109-D112 PolarHBondContact NZ-OD1 3.22Å; K109-D112 IonicContact NZ-OD2 2.66Å; K109-D112 PolarHBondContact NZ-OD2 2.93Å; V110-D112 PolarHBondContact O-N 3.39Å; D112-S114 PolarHBondContact O-N 2.66Å | ||
| 113 | S | 46.5 | Very low | 43.1 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -75 | 57.5 | 177 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | A111 | A111-S113 PolarHBondContact O-N 2.81Š|
| 114 | S | 44.7 | Very low | 41.8 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -152 | 56 | -178.2 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | D112 | D112-S114 PolarHBondContact O-N 2.66Š| ||
| 115 | S | 43 | Very low | 41 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -159.5 | 82.6 | 171 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 116 | F | 29.8 | Very low | 41 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -148.2 | 65 | 161.8 | -158.4 | -92.5 | 0 | 0 | 0 | 111 | E118 | F116-E118 HydrophobicContact CD1-CB 4.47Å; F116-E118 HydrophobicContact CE1-CB 3.84Å; F116-E118 HydrophobicContact CZ-CB 3.9Å; F116-E118 PolarHBondContact O-N 3.37Å | ||
| 117 | D | 39.9 | Very low | 39.8 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 92% | 0.92 | 76% | 0.759 | S | S | * | * | trans | -84.2 | 91.6 | 161.5 | -74.5 | -76.4 | 0 | 0 | 0 | 108.6 | ||||
| 118 | E | 43 | Very low | 39.6 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -136.5 | 76 | 166.7 | -162.6 | 166.9 | 96.5 | 0 | 0 | 110.3 | F116 S120 | F116-E118 HydrophobicContact CD1-CB 4.47Å; F116-E118 HydrophobicContact CE1-CB 3.84Å; F116-E118 HydrophobicContact CZ-CB 3.9Å; F116-E118 PolarHBondContact O-N 3.37Å; E118-S120 PolarHBondContact O-N 2.82Å | ||
| 119 | D | 36.1 | Very low | 38.8 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -75.4 | 105 | 159.9 | 175.7 | 22.7 | 0 | 0 | 0 | 108.9 | S121 | D119-S121 PolarHBondContact OD1-OG 3.27Š| ||
| 120 | S | 43.1 | Very low | 38 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -147.4 | 128.7 | 162.3 | -166.7 | 0 | 0 | 0 | 0 | 108.7 | E118 | E118-S120 PolarHBondContact O-N 2.82Š| ||
| 121 | S | 43.3 | Very low | 37.6 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -126.9 | 149.6 | -154.6 | -76.8 | 0 | 0 | 0 | 0 | 114 | D119 | D119-S121 PolarHBondContact OD1-OG 3.27Š| ||
| 122 | D | 39.6 | Very low | 37 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | 63.1 | 141.2 | 161.9 | -126.1 | 9.1 | 0 | 0 | 0 | 116.6 | ||||
| 123 | A | 37.6 | Very low | 36.5 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | cis | -152.9 | 170.7 | 3.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 124 | L | 31.9 | Very low | 35.6 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | cis | -144.3 | 163.7 | 18.8 | -74.1 | 162 | 0 | 0 | 0 | 111.1 | ||||
| 125 | S | 39.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -63.8 | 166.8 | 154.8 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 126 | P | 47.4 | Very low | 34 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | cis | -140.3 | -163.3 | 15.6 | 41.8 | -21.3 | 0 | 0 | 0 | 115.7 | ||||
| 127 | E | 23.9 | Very low | 33.7 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 90.6 | 162.7 | 152.8 | -144.5 | 146.5 | 113.3 | 0 | 0 | 118.1 | ||||
| 128 | Q | 39.3 | Very low | 33.1 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -88.2 | 174.1 | -173.7 | -53.8 | -173.1 | -98 | 0 | 0 | 111.2 | ||||
| 129 | P | 29.4 | Very low | 32.9 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -116.6 | 135.6 | 131 | 7.8 | 10.4 | 0 | 0 | 0 | 111.3 | ||||
| 130 | A | 23.3 | Very low | 32.2 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | -83.9 | 158.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 131 | S | 30.6 | Very low | 32.1 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 13.4 | 125.2 | 149.2 | -49.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 132 | H | 29.6 | Very low | 31.4 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -136 | 116.8 | 152.8 | -109.1 | -98.6 | 0 | 0 | 0 | 111.2 | ||||
| 133 | E | 24.3 | Very low | 30.7 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | -157.6 | 111.5 | 115.5 | -167.1 | -177.8 | 108.5 | 0 | 0 | 111 | |||||
| 134 | S | 28.7 | Very low | 30.3 | Very low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -176.6 | 115.7 | 138.4 | -86.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 135 | Q | 28.5 | Very low | 30 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 63.6 | 129.9 | 151.8 | -51.4 | -60.4 | -30.8 | 0 | 0 | 120.3 | ||||
| 136 | G | 24.7 | Very low | 29.5 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | 144.7 | 56.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 137 | S | 24.8 | Very low | 28.6 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | 68.8 | 151 | 151.4 | -68.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 138 | V | 27.5 | Very low | 28.7 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -90.4 | -177.4 | 176 | -78 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 139 | P | 38.7 | Very low | 28.6 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -120.3 | 168 | -8 | 16.2 | 10.2 | 0 | 0 | 0 | 113.9 | ||||
| 140 | S | 20.8 | Very low | 28.6 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | 68.2 | 154 | 60.3 | -128.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 141 | P | 40.3 | Very low | 29.2 | Very low | 101 Ų | 101 | 127 Ų | 127 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | cis | -147.1 | -170.6 | 3.3 | 37.3 | -12.7 | 0 | 0 | 0 | 118.5 | ||||
| 142 | L | 28.3 | Very low | 29.3 | Very low | 148 Ų | 148 | 127 Ų | 127 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | trans | 75.8 | 124.9 | 158.7 | -53.2 | -173.2 | 0 | 0 | 0 | 120.1 | ||||
| 143 | E | 26.5 | Very low | 29.4 | Very low | 182 Ų | 182 | 122.1 Ų | 122.1 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | 88.9 | 142.3 | 61.9 | -75.4 | -140.5 | 114.8 | 0 | 0 | 115.5 | |||||
| 144 | A | 28.2 | Very low | 29.7 | Very low | 79 Ų | 79 | 120 Ų | 120 | 65% | 0.653 | 72% | 0.717 | S | S | * | * | cis | -168.2 | 162.5 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 145 | R | 26.1 | Very low | 29.7 | Very low | 235 Ų | 235 | 120.6 Ų | 120.6 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | trans | 70.9 | 136.1 | 147.6 | -100.4 | -165.9 | 163.6 | -112.1 | -2.8 | 126.5 | ||||
| 146 | V | 27.5 | Very low | 29.7 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 62% | 0.624 | 72% | 0.72 | S | S | * | * | trans | 105.3 | 109.2 | 132.8 | 163.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 147 | S | 29.2 | Very low | 29.8 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | trans | 82.7 | 167.1 | 135.1 | -65 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 148 | E | 25.6 | Very low | 30.5 | Very low | 152 Ų | 152 | 116.8 Ų | 116.8 | 71% | 0.71 | 71% | 0.708 | S | S | * | * | trans | -123 | 0 | -148.4 | -128 | -155.9 | 111.3 | 0 | 0 | 114.7 | ||||
| 149 | P | 37.7 | Very low | 30.4 | Very low | 40 Ų | 40 | 116.3 Ų | 116.3 | 26% | 0.26 | 71% | 0.705 | S | S | . | * | 0 | -178.5 | 0 | 44.4 | -23.9 | 0 | 0 | 0 | 119.4 | P379 A380 E381 | P149-P379 CarbonylContact O-C 3.42Å; P149-P379 WeakPolarHBondContact O-CA 3.41Å; P149-P379 WeakPolarHBondContact O-CB 3.47Å; P149-P379 WeakPolarHBondContact O-CD 3.44Å; P149-P379 WeakPolarHBondContact O-CG 3.27Å; P149-A380 WeakPolarHBondContact O-CA 3.31Å; P149-A380 PolarHBondContact O-N 2.89Å; P149-E381 HydrophobicContact CB-CG 4.39Å; P149-E381 HydrophobicContact CG-CB 4.23Å; P149-E381 HydrophobicContact CG-CG 4.29Å | |||
| 150 | L | 29.3 | Very low | 29.8 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 47% | 0.466 | 70% | 0.704 | S | S | . | * | trans | -35.8 | 153.5 | -171.6 | -62 | 70.7 | 0 | 0 | 0 | 123.6 | P379 A380 E381 | L150-P379 VanDerWaalsContact C-CB 3.46Å; L150-A380 CarbonylContact O-C 2.79Å; L150-A380 WeakPolarHBondContact O-CA 3.28Å; L150-A380 PolarHBondContact O-N 2.87Å; L150-A380 VanDerWaalsContact O-N 3.14Å; L150-E381 HydrophobicContact CB-CG 4.17Å; L150-E381 VanDerWaalsContact O-CA 3.24Å; L150-E381 WeakPolarHBondContact O-CA 3.4Å; L150-E381 PolarHBondContact O-N 3.42Å | ||
| 151 | L | 36.6 | Very low | 30.3 | Very low | 90 Ų | 90 | 120 Ų | 120 | 47% | 0.471 | 70% | 0.7 | S | S | . | * | trans | 93.6 | 156.9 | 161.8 | -47.8 | -171 | 0 | 0 | 0 | 122.6 | P379 A380 | L151-P379 WeakPolarHBondContact O-CB 3.37Å; L151-A380 PolarHBondContact O-N 2.98Å | ||
| 152 | S | 32.4 | Very low | 29.7 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | cis | -159.4 | -178.8 | 5.2 | -139.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 153 | A | 32.4 | Very low | 29.7 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 70% | 0.703 | S | S | * | * | trans | -76 | -177.6 | -175 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 154 | T | 30.7 | Very low | 30.6 | Very low | 136 Ų | 136 | 117 Ų | 117 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | cis | -165.1 | -161.9 | 31 | -20.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 155 | S | 28.3 | Very low | 30.5 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | cis | -169.6 | 176.2 | 1.7 | 43 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 156 | A | 28.6 | Very low | 30.7 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | trans | 90.2 | 156.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 157 | S | 25.6 | Very low | 30.8 | Very low | 111 Ų | 111 | 117.8 Ų | 117.8 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -116.9 | -154.2 | -168.3 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 158 | P | 39.6 | Very low | 30.5 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | cis | -153.3 | 179 | 10.9 | 37.9 | -11.9 | 0 | 0 | 0 | 121.5 | ||||
| 159 | T | 24.8 | Very low | 30.4 | Very low | 124 Ų | 124 | 116.6 Ų | 116.6 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | trans | 77 | 155.9 | 138.3 | 38.1 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 160 | Q | 27.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 122.1 Ų | 122.1 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | 82.9 | 147.2 | 152.2 | -66.1 | -102.4 | 93.6 | 0 | 0 | 119.7 | ||||
| 161 | Q | 30.9 | Very low | 29.9 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | cis | -166.8 | 152.7 | -19.6 | -158.3 | -179.9 | 5.7 | 0 | 0 | 113 | ||||
| 162 | S | 27.8 | Very low | 29.8 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 53.2 | 117.4 | 149.6 | 55.3 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 163 | Q | 28.2 | Very low | 30 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | 50.2 | 162.6 | 113.4 | -64.6 | -105.6 | -21.9 | 0 | 0 | 123 | |||||
| 164 | P | 45.6 | Very low | 30.2 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 62% | 0.623 | 75% | 0.751 | S | S | * | * | cis | -146.7 | -176.8 | -44.8 | 43.8 | -25.9 | 0 | 0 | 0 | 116.6 | ||||
| 165 | K | 26.1 | Very low | 30.7 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | trans | 60.9 | 121.7 | 155.3 | -76.7 | -179.2 | 176 | 177.8 | 0 | 121.8 | ||||
| 166 | S | 30.3 | Very low | 30.9 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | 173.9 | -173.2 | 110.7 | 50 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 167 | A | 28.4 | Very low | 31.4 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | trans | -141.6 | 166.9 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 168 | S | 23.4 | Very low | 31.9 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | 115.6 | 132.7 | 157.5 | -156.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 169 | E | 24 | Very low | 31.7 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 65% | 0.654 | 73% | 0.731 | S | S | * | * | trans | 81 | 139 | 144.6 | -110.1 | -166.3 | 116.6 | 0 | 0 | 123.9 | ||||
| 170 | K | 28.2 | Very low | 32.9 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | trans | 59.4 | 116.3 | 147.3 | 69.5 | -159.6 | 140.8 | -148 | 0 | 123.4 | ||||
| 171 | S | 28.9 | Very low | 33.5 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | 95.3 | 153 | 133.8 | -77.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 172 | Q | 33.5 | Very low | 34.3 | Very low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | 73.2 | 96 | 157.3 | -78.5 | 169.6 | -34.7 | 0 | 0 | 120.8 | ||||
| 173 | R | 37.2 | Very low | 35 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | trans | -71.3 | 116.4 | 158.2 | 168.7 | -176.9 | 171.8 | -175.2 | -1.1 | 111.2 | G848 P849 V850 | R173-G848 PolarHBondContact NE-O 3.24Å; R173-G848 VanDerWaalsContact NE-O 3.16Å; R173-G848 PolarHBondContact NH2-O 3.24Å; R173-P849 VanDerWaalsContact CD-O 3.3Å; R173-P849 WeakPolarHBondContact CD-O 3.47Å; R173-P849 VanDerWaalsContact CZ-C 3.44Å; R173-P849 PolarHBondContact NE-O 2.78Å; R173-V850 PolarHBondContact NH1-O 3.08Å | ||
| 174 | S | 35.9 | Very low | 36 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -155.2 | 126.6 | 167.2 | 57.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 175 | K | 41.2 | Very low | 36.9 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | 60.4 | 98.1 | 133.6 | -65.4 | -170.6 | 171.8 | 178.5 | 0 | 121.4 | G847 | K175-G847 WeakPolarHBondContact CA-O 3.48Å; K175-G847 PolarHBondContact N-O 2.86Å; K175-G847 VanDerWaalsContact N-O 3.11Å | ||
| 176 | K | 33.6 | Very low | 38.7 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 41% | 0.413 | 75% | 0.752 | S | S | . | * | 94.5 | 114.2 | 127.2 | -162.8 | -174.9 | -137.2 | 156.2 | 0 | 121.5 | K178 L844 S845 S846 | K176-K178 HydrophobicContact CG-CB 4.41Å; K176-L844 PolarHBondContact NZ-O 2.75Å; K176-S845 PolarHBondContact NZ-OG 3.33Å; K176-S846 WeakPolarHBondContact CD-OG 3.47Å; K176-S846 WeakPolarHBondContact CE-OG 3.24Å; K176-S846 PolarHBondContact NZ-OG 2.73Å | |||
| 177 | A | 37.9 | Very low | 39.9 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | -130.6 | 116.6 | 122.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 178 | K | 36.8 | Very low | 41.5 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | 75.5 | 51 | 62.9 | -162.3 | 88.9 | 179.6 | -163.9 | 0 | 113 | K176 | K176-K178 HydrophobicContact CG-CB 4.41Š| |||
| 179 | E | 34.8 | Very low | 43.1 | Very low | 177 Ų | 177 | 154.8 Ų | 154.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -58.9 | 136.9 | 162.4 | -175.1 | -177.1 | -165.3 | 0 | 0 | 111.2 | ||||
| 180 | L | 49.8 | Very low | 45.2 | Very low | 151 Ų | 151 | 156.8 Ų | 156.8 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -98.2 | 105.2 | 175.8 | -75.2 | 173.1 | 0 | 0 | 0 | 110.1 | ||||
| 181 | K | 42.1 | Very low | 46.4 | Very low | 141 Ų | 141 | 158.1 Ų | 158.1 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | trans | -54.3 | 128.8 | 178.6 | -63.4 | -173.8 | 177.1 | -171.7 | 0 | 111.6 | K183 | K181-K183 PolarHBondContact O-N 2.92Š| ||
| 182 | P | 46.4 | Very low | 47.6 | Very low | 120 Ų | 120 | 161.3 Ų | 161.3 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -62.7 | 127.5 | 168.8 | 26.3 | -32.9 | 0 | 0 | 0 | 109.8 | V184 | P182-V184 PolarHBondContact O-N 2.86Š| ||
| 183 | K | 42.3 | Very low | 48.5 | Very low | 194 Ų | 194 | 159.7 Ų | 159.7 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -76.2 | 115.6 | 174.4 | -102.9 | 83.4 | 171.4 | -165.7 | 0 | 109.5 | K181 K185 | K181-K183 PolarHBondContact O-N 2.92Å; K183-K185 PolarHBondContact O-N 3.44Å | ||
| 184 | V | 50.4 | Low | 49.3 | Very low | 142 Ų | 142 | 156.1 Ų | 156.1 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 118 | 160.4 | -79.1 | 0 | 0 | 0 | 0 | 109.3 | P182 | P182-V184 PolarHBondContact O-N 2.86Š|
| 185 | K | 64 | Low | 50 | Low | 191 Ų | 191 | 156.5 Ų | 156.5 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 130.1 | 172.5 | -67.1 | 177.5 | 179.4 | 176.7 | 0 | 108 | K183 L187 | K183-K185 PolarHBondContact O-N 3.44Å; K185-L187 PolarHBondContact O-N 3Å |
| 186 | K | 63.1 | Low | 50.4 | Low | 208 Ų | 208 | 156.6 Ų | 156.6 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.8 | 174 | -71.1 | -173.7 | 175.7 | -175 | 0 | 108.8 | K188 | K186-K188 PolarHBondContact O-N 3.3Š|
| 187 | L | 55.7 | Low | 51.2 | Low | 158 Ų | 158 | 160.8 Ų | 160.8 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 125.4 | 166.6 | -85.2 | 70.4 | 0 | 0 | 0 | 107.7 | K185 | K185-L187 PolarHBondContact O-N 3Š|
| 188 | K | 63.2 | Low | 51.2 | Low | 186 Ų | 186 | 165.6 Ų | 165.6 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 119.7 | 172.5 | -167.1 | 170.2 | -177.2 | 179 | 0 | 107 | K186 H190 | K186-K188 PolarHBondContact O-N 3.3Å; K188-H190 PolarHBondContact O-N 2.81Å |
| 189 | Y | 55.3 | Low | 51.6 | Low | 227 Ų | 227 | 167.3 Ų | 167.3 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -60.3 | 113.5 | 175.6 | -75.7 | -91 | 0 | 0 | 0 | 109.2 | Q191 | Y189-Q191 PolarHBondContact O-N 3.15Š| ||
| 190 | H | 69.6 | Low | 51.5 | Low | 181 Ų | 181 | 163.4 Ų | 163.4 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -74.3 | 115.4 | 162.3 | -75.9 | -90.4 | 0 | 0 | 0 | 107.1 | K188 Y192 | K188-H190 PolarHBondContact O-N 2.81Å; H190-Y192 PolarHBondContact O-N 3.35Å | ||
| 191 | Q | 52.2 | Low | 50.8 | Low | 184 Ų | 184 | 164.6 Ų | 164.6 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 122.1 | 177.4 | -170.2 | 159.4 | 19.1 | 0 | 0 | 108.9 | Y189 I193 | Y189-Q191 PolarHBondContact O-N 3.15Å; Q191-I193 PolarHBondContact O-N 2.74Å |
| 192 | Y | 54.7 | Low | 50.6 | Low | 180 Ų | 180 | 161.4 Ų | 161.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 117.6 | -175 | -177.2 | -101.8 | 0 | 0 | 0 | 110.5 | H190 P195 | H190-Y192 PolarHBondContact O-N 3.35Å; Y192-P195 WeakPolarHBondContact OH-CD 3.44Å |
| 193 | I | 53.1 | Low | 50.4 | Low | 149 Ų | 149 | 160.3 Ų | 160.3 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 122.2 | 168.2 | -60.6 | 173.6 | 0 | 0 | 0 | 106.4 | Q191 | Q191-I193 PolarHBondContact O-N 2.74Š|
| 194 | P | 52.4 | Low | 50.7 | Low | 90 Ų | 90 | 155.6 Ų | 155.6 | 58% | 0.584 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.1 | -178.9 | -27.5 | 35.9 | 0 | 0 | 0 | 112.6 | D196 | P194-D196 PolarHBondContact O-N 3.22Š|
| 195 | P | 51.1 | Low | 51 | Low | 105 Ų | 105 | 154 Ų | 154 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -80.9 | 44.6 | -175.3 | 35.2 | -38.5 | 0 | 0 | 0 | 112.5 | Y192 | Y192-P195 WeakPolarHBondContact OH-CD 3.44Š|
| 196 | D | 49.5 | Very low | 50.4 | Low | 151 Ų | 151 | 150.5 Ų | 150.5 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -117 | 38.2 | -168.4 | -148.8 | 6.8 | 0 | 0 | 0 | 112.1 | P194 | P194-D196 PolarHBondContact O-N 3.22Š| ||
| 197 | Q | 50.6 | Low | 50.5 | Low | 183 Ų | 183 | 146.6 Ų | 146.6 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -154.1 | 35.2 | 179 | -146.5 | 166.1 | 75.8 | 0 | 0 | 114.5 | ||
| 198 | K | 39 | Very low | 51.1 | Low | 201 Ų | 201 | 142.5 Ų | 142.5 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | -135.3 | 72.3 | 172.6 | -69.2 | -64.8 | 179.8 | -177.2 | 0 | 111.6 | D200 | K198-D200 PolarHBondContact O-N 3.38Š| ||
| 199 | Q | 44.3 | Very low | 51.7 | Low | 195 Ų | 195 | 137.9 Ų | 137.9 | 91% | 0.911 | 72% | 0.724 | S | S | * | * | trans | -76.9 | 110.9 | 171 | 173.7 | -173.3 | -17.7 | 0 | 0 | 110.6 | ||||
| 200 | D | 33.5 | Very low | 53 | Low | 94 Ų | 94 | 134.5 Ų | 134.5 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | 176 | 159.8 | 123.3 | -165.2 | 16.5 | 0 | 0 | 0 | 111.1 | K198 | K198-D200 PolarHBondContact O-N 3.38Š| |||
| 201 | R | 35.2 | Very low | 53.9 | Low | 176 Ų | 176 | 128.2 Ų | 128.2 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 56.3 | 92.6 | 169.1 | -57.3 | -46.6 | -171.1 | -117.6 | 7.4 | 118.4 | ||
| 202 | G | 37.1 | Very low | 55.6 | Low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | trans | 88.5 | 73.5 | 130.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 203 | A | 42.9 | Very low | 57.5 | Low | 96 Ų | 96 | 120.1 Ų | 120.1 | 79% | 0.793 | 66% | 0.659 | S | S | * | * | trans | -61 | 139.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 204 | P | 48 | Very low | 59.4 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 62% | 0.617 | 65% | 0.646 | S | S | * | * | trans | -64 | 148.7 | 174.4 | 27.4 | -34.2 | 0 | 0 | 0 | 110.5 | M206 | P204-M206 PolarHBondContact O-N 3.17Š| ||
| 205 | P | 56.3 | Low | 61.3 | Low | 110 Ų | 110 | 118.9 Ų | 118.9 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | trans | -59.3 | 103.8 | 166.8 | -19.4 | 32.1 | 0 | 0 | 0 | 109 | D207 | P205-D207 PolarHBondContact O-N 3.38Š| ||
| 206 | M | 52.3 | Low | 63.4 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | trans | -82.6 | 60.4 | -171.4 | -105.2 | -58.2 | -54.4 | 0 | 0 | 111.5 | P204 | P204-M206 PolarHBondContact O-N 3.17Š| ||
| 207 | D | 64.3 | Low | 65.5 | Low | 126 Ų | 126 | 118.8 Ų | 118.8 | 67% | 0.674 | 63% | 0.631 | S | S | * | * | trans | -80.3 | 153.7 | -164.1 | -78.4 | -33.8 | 0 | 0 | 0 | 115.2 | P205 S209 | P205-D207 PolarHBondContact O-N 3.38Å; D207-S209 PolarHBondContact O-N 3.44Å | ||
| 208 | S | 68.7 | Low | 67.5 | Low | 72 Ų | 72 | 116.9 Ų | 116.9 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | S | Bend | trans | 75.3 | -42.3 | 157.7 | -154 | 0 | 0 | 0 | 0 | 120.2 | K212 | S208-K212 WeakPolarHBondContact O-CD 3.49Å; S208-K212 WeakPolarHBondContact O-CE 3.39Å; S208-K212 WeakPolarHBondContact O-CG 3.49Å; S208-K212 PolarHBondContact O-NZ 3.31Å; S208-K212 PolarHBondContact OG-NZ 3.44Å |
| 209 | S | 76.5 | Confident | 70.2 | Confident | 89 Ų | 89 | 112.8 Ų | 112.8 | 62% | 0.622 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -99.3 | -78.4 | -173.6 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | D207 A211 K212 I213 | D207-S209 PolarHBondContact O-N 3.44Å; S209-A211 VanDerWaalsContact C-N 3.32Å; S209-A211 PolarHBondContact O-N 2.99Å; S209-K212 PolarHBondContact O-N 3.36Å; S209-I213 PolarHBondContact O-N 3.44Å; S209-I213 VanDerWaalsContact O-N 3.09Å |
| 210 | Y | 80.9 | Confident | 72.6 | Confident | 155 Ų | 155 | 110 Ų | 110 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.8 | -36.8 | -176.3 | -171.1 | -102.7 | 0 | 0 | 0 | 112.3 | K212 I213 L214 | Y210-K212 VanDerWaalsContact C-N 3.28Å; Y210-K212 PolarHBondContact O-N 2.92Å; Y210-I213 HydrophobicContact CD2-CG2 4.01Å; Y210-I213 HydrophobicContact CE2-CG2 4.35Å; Y210-I213 WeakPolarHBondContact O-CG2 3.43Å; Y210-I213 PolarHBondContact O-N 3.01Å; Y210-L214 WeakPolarHBondContact O-CB 3.49Å; Y210-L214 PolarHBondContact O-N 3.32Å |
| 211 | A | 88.3 | Confident | 75.6 | Confident | 50 Ų | 50 | 110.1 Ų | 110.1 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -57.8 | -39 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S209 Q215 | S209-A211 VanDerWaalsContact C-N 3.32Å; S209-A211 PolarHBondContact O-N 2.99Å; A211-Q215 VanDerWaalsContact O-CB 3.31Å; A211-Q215 WeakPolarHBondContact O-CB 3.43Å; A211-Q215 PolarHBondContact O-N 3.14Å |
| 212 | K | 89.3 | Confident | 78.3 | Confident | 115 Ų | 115 | 107.6 Ų | 107.6 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.5 | -33.9 | 176.5 | -69.8 | -172.7 | -164.9 | 139.6 | 0 | 113 | S208 S209 Y210 L214 Q215 Q216 | S208-K212 WeakPolarHBondContact O-CD 3.49Å; S208-K212 WeakPolarHBondContact O-CE 3.39Å; S208-K212 WeakPolarHBondContact O-CG 3.49Å; S208-K212 PolarHBondContact O-NZ 3.31Å; S208-K212 PolarHBondContact OG-NZ 3.44Å; S209-K212 PolarHBondContact O-N 3.36Å; Y210-K212 VanDerWaalsContact C-N 3.28Å; Y210-K212 PolarHBondContact O-N 2.92Å; K212-L214 VanDerWaalsContact C-N 3.32Å; K212-Q215 PolarHBondContact O-N 3.44Å; K212-Q216 VanDerWaalsContact O-CB 3.25Å; K212-Q216 WeakPolarHBondContact O-CB 3.45Å; K212-Q216 PolarHBondContact O-N 2.9Å |
| 213 | I | 93.9 | Very high | 80.9 | Confident | 79 Ų | 79 | 109.5 Ų | 109.5 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.6 | -33.4 | 175.8 | -139.5 | 71 | 0 | 0 | 0 | 111.6 | S209 Y210 Q217 | S209-I213 PolarHBondContact O-N 3.44Å; S209-I213 VanDerWaalsContact O-N 3.09Å; Y210-I213 HydrophobicContact CD2-CG2 4.01Å; Y210-I213 HydrophobicContact CE2-CG2 4.35Å; Y210-I213 WeakPolarHBondContact O-CG2 3.43Å; Y210-I213 PolarHBondContact O-N 3.01Å; I213-Q217 PolarHBondContact O-N 3.31Å |
| 214 | L | 94.2 | Very high | 83.2 | Confident | 94 Ų | 94 | 110.1 Ų | 110.1 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.6 | -45 | 173.1 | -170.6 | 64.5 | 0 | 0 | 0 | 111.2 | Y210 K212 Q216 Q217 Q218 | Y210-L214 WeakPolarHBondContact O-CB 3.49Å; Y210-L214 PolarHBondContact O-N 3.32Å; K212-L214 VanDerWaalsContact C-N 3.32Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-Q216 PolarHBondContact O-N 3.3Å; L214-Q217 PolarHBondContact O-N 2.55Å; L214-Q218 WeakPolarHBondContact O-CB 3.28Å; L214-Q218 PolarHBondContact O-N 3.28Å |
| 215 | Q | 92.4 | Very high | 85.3 | Confident | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59 | -42 | 173.1 | -173.3 | -177.2 | 32 | 0 | 0 | 111.9 | A211 K212 Q218 L219 | A211-Q215 VanDerWaalsContact O-CB 3.31Å; A211-Q215 WeakPolarHBondContact O-CB 3.43Å; A211-Q215 PolarHBondContact O-N 3.14Å; K212-Q215 PolarHBondContact O-N 3.44Å; Q215-Q218 PolarHBondContact O-N 3.37Å; Q215-L219 HydrophobicContact CG-CD1 3.97Å; Q215-L219 VanDerWaalsContact O-CD1 3.28Å; Q215-L219 WeakPolarHBondContact O-CD1 3.21Å; Q215-L219 PolarHBondContact O-N 3.14Å |
| 216 | Q | 93.8 | Very high | 86.8 | Confident | 131 Ų | 131 | 108.6 Ų | 108.6 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 177.4 | -178.9 | 176.2 | 85.2 | 0 | 0 | 111.9 | K212 L214 Q218 L219 F220 | K212-Q216 VanDerWaalsContact O-CB 3.25Å; K212-Q216 WeakPolarHBondContact O-CB 3.45Å; K212-Q216 PolarHBondContact O-N 2.9Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-Q216 PolarHBondContact O-N 3.3Å; Q216-Q218 VanDerWaalsContact C-N 3.3Å; Q216-Q218 PolarHBondContact O-N 3.46Å; Q216-L219 PolarHBondContact O-N 3.2Å; Q216-F220 WeakPolarHBondContact O-CB 3.39Å; Q216-F220 PolarHBondContact O-N 2.92Å |
| 217 | Q | 93.5 | Very high | 88.5 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.8 | -39.8 | 172.6 | -80.5 | -179.5 | 78.8 | 0 | 0 | 111.9 | I213 L214 F220 L221 | I213-Q217 PolarHBondContact O-N 3.31Å; L214-Q217 PolarHBondContact O-N 2.55Å; Q217-F220 PolarHBondContact O-N 2.92Å; Q217-L221 WeakPolarHBondContact O-CB 3.41Å; Q217-L221 PolarHBondContact O-N 3.19Å |
| 218 | Q | 94.1 | Very high | 89.4 | Confident | 143 Ų | 143 | 107.7 Ų | 107.7 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.4 | -39.5 | 179.1 | -166.9 | 149 | 63.8 | 0 | 0 | 112.4 | L214 Q215 Q216 Q222 | L214-Q218 WeakPolarHBondContact O-CB 3.28Å; L214-Q218 PolarHBondContact O-N 3.28Å; Q215-Q218 PolarHBondContact O-N 3.37Å; Q216-Q218 VanDerWaalsContact C-N 3.3Å; Q216-Q218 PolarHBondContact O-N 3.46Å; Q218-Q222 WeakPolarHBondContact O-CB 3.33Å; Q218-Q222 PolarHBondContact O-N 3.43Å |
| 219 | L | 94.4 | Very high | 90 | Very high | 114 Ų | 114 | 109.1 Ų | 109.1 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 170.5 | -94.8 | 81.2 | 0 | 0 | 0 | 112.4 | Q215 Q216 Q222 L223 | Q215-L219 HydrophobicContact CG-CD1 3.97Å; Q215-L219 VanDerWaalsContact O-CD1 3.28Å; Q215-L219 WeakPolarHBondContact O-CD1 3.21Å; Q215-L219 PolarHBondContact O-N 3.14Å; Q216-L219 PolarHBondContact O-N 3.2Å; L219-Q222 PolarHBondContact O-N 2.97Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 PolarHBondContact O-N 3.33Å |
| 220 | F | 95.4 | Very high | 89.8 | Confident | 138 Ų | 138 | 109.9 Ų | 109.9 | 61% | 0.605 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -46.3 | 177.4 | 177.5 | -95.1 | 0 | 0 | 0 | 111.4 | Q216 Q217 L223 Q224 | Q216-F220 WeakPolarHBondContact O-CB 3.39Å; Q216-F220 PolarHBondContact O-N 2.92Å; Q217-F220 PolarHBondContact O-N 2.92Å; F220-L223 PolarHBondContact O-N 3.42Å; F220-Q224 WeakPolarHBondContact O-CB 3.23Å; F220-Q224 PolarHBondContact O-N 3.06Å |
| 221 | L | 95.8 | Very high | 89 | Confident | 95 Ų | 95 | 108.6 Ų | 108.6 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.4 | -172.3 | 65.6 | 0 | 0 | 0 | 111.6 | Q217 L223 Q224 I225 | Q217-L221 WeakPolarHBondContact O-CB 3.41Å; Q217-L221 PolarHBondContact O-N 3.19Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.49Å; L221-Q224 PolarHBondContact O-N 2.93Å; L221-I225 HydrophobicContact CG-CD1 4.16Å; L221-I225 VanDerWaalsContact O-CG1 3.3Å; L221-I225 WeakPolarHBondContact O-CG1 3.37Å; L221-I225 PolarHBondContact O-N 3.48Å |
| 222 | Q | 92.6 | Very high | 87.4 | Confident | 123 Ų | 123 | 111.1 Ų | 111.1 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 176.5 | -171.6 | 62.1 | 76.8 | 0 | 0 | 112.3 | Q218 L219 L226 | Q218-Q222 WeakPolarHBondContact O-CB 3.33Å; Q218-Q222 PolarHBondContact O-N 3.43Å; L219-Q222 PolarHBondContact O-N 2.97Å; Q222-L226 WeakPolarHBondContact O-CB 3.31Å; Q222-L226 PolarHBondContact O-N 2.92Å |
| 223 | L | 92.1 | Very high | 85.7 | Confident | 116 Ų | 116 | 111.9 Ų | 111.9 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 174.8 | -177.6 | 63 | 0 | 0 | 0 | 111.9 | L219 F220 L221 L226 N227 | L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 PolarHBondContact O-N 3.33Å; F220-L223 PolarHBondContact O-N 3.42Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.49Å; L223-L226 PolarHBondContact O-N 3.38Å; L223-N227 WeakPolarHBondContact O-CB 3.3Å; L223-N227 PolarHBondContact O-N 3.47Å |
| 224 | Q | 89.7 | Confident | 83.7 | Confident | 109 Ų | 109 | 114 Ų | 114 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 176.4 | -168 | 176 | 23.4 | 0 | 0 | 111.7 | F220 L221 Q228 | F220-Q224 WeakPolarHBondContact O-CB 3.23Å; F220-Q224 PolarHBondContact O-N 3.06Å; L221-Q224 PolarHBondContact O-N 2.93Å; Q224-Q228 PolarHBondContact O-N 3.49Å; Q224-Q228 VanDerWaalsContact O-N 3.1Å |
| 225 | I | 92.3 | Very high | 81.5 | Confident | 70 Ų | 70 | 115 Ų | 115 | 36% | 0.359 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64 | -45.9 | 173.3 | -67.1 | 162.5 | 0 | 0 | 0 | 110.8 | L221 N227 Q228 Q229 | L221-I225 HydrophobicContact CG-CD1 4.16Å; L221-I225 VanDerWaalsContact O-CG1 3.3Å; L221-I225 WeakPolarHBondContact O-CG1 3.37Å; L221-I225 PolarHBondContact O-N 3.48Å; I225-N227 PolarHBondContact O-N 3.41Å; I225-Q228 WeakPolarHBondContact O-CB 3.46Å; I225-Q228 PolarHBondContact O-N 3.37Å; I225-Q229 PolarHBondContact O-N 3.41Å |
| 226 | L | 88.9 | Confident | 79.1 | Confident | 102 Ų | 102 | 117.1 Ų | 117.1 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -39.9 | -179.6 | -175.5 | 61.9 | 0 | 0 | 0 | 112.2 | Q222 L223 Q228 Q229 Q230 | Q222-L226 WeakPolarHBondContact O-CB 3.31Å; Q222-L226 PolarHBondContact O-N 2.92Å; L223-L226 PolarHBondContact O-N 3.38Å; L226-Q228 VanDerWaalsContact C-N 3.35Å; L226-Q229 PolarHBondContact O-N 2.97Å; L226-Q230 PolarHBondContact O-N 2.94Å |
| 227 | N | 87 | Confident | 77 | Confident | 87 Ų | 87 | 118.5 Ų | 118.5 | 47% | 0.465 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -36.7 | 175.8 | -172 | -108.3 | 0 | 0 | 0 | 112 | L223 I225 Q230 Q231 | L223-N227 WeakPolarHBondContact O-CB 3.3Å; L223-N227 PolarHBondContact O-N 3.47Å; I225-N227 PolarHBondContact O-N 3.41Å; N227-Q230 PolarHBondContact O-N 3.4Å; N227-Q231 WeakPolarHBondContact O-CG 3.21Å; N227-Q231 PolarHBondContact O-N 2.9Å |
| 228 | Q | 84.4 | Confident | 74.4 | Confident | 137 Ų | 137 | 116.7 Ų | 116.7 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.6 | -41.5 | 171.7 | -171.4 | -177.2 | 101.5 | 0 | 0 | 112 | Q224 I225 L226 Q231 Q232 | Q224-Q228 PolarHBondContact O-N 3.49Å; Q224-Q228 VanDerWaalsContact O-N 3.1Å; I225-Q228 WeakPolarHBondContact O-CB 3.46Å; I225-Q228 PolarHBondContact O-N 3.37Å; L226-Q228 VanDerWaalsContact C-N 3.35Å; Q228-Q231 PolarHBondContact O-N 3.49Å; Q228-Q232 PolarHBondContact O-N 2.9Å |
| 229 | Q | 79.6 | Confident | 72.3 | Confident | 102 Ų | 102 | 116.2 Ų | 116.2 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.1 | -38.3 | 174.4 | -71 | -176.1 | 19 | 0 | 0 | 112.3 | I225 L226 Q231 Q232 H233 | I225-Q229 PolarHBondContact O-N 3.41Å; L226-Q229 PolarHBondContact O-N 2.97Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.29Å; Q229-Q232 WeakPolarHBondContact O-CB 3.48Å; Q229-Q232 PolarHBondContact O-N 3.26Å; Q229-Q232 VanDerWaalsContact O-N 3.16Å; Q229-H233 PolarHBondContact O-CD2 2.65Å; Q229-H233 PolarHBondContact O-N 2.87Å |
| 230 | Q | 72.9 | Confident | 69.5 | Low | 105 Ų | 105 | 118.1 Ų | 118.1 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.2 | -40.9 | 176.8 | -171.2 | -178.5 | 14.8 | 0 | 0 | 112.1 | L226 N227 H233 H234 | L226-Q230 PolarHBondContact O-N 2.94Å; N227-Q230 PolarHBondContact O-N 3.4Å; Q230-H233 PolarHBondContact O-N 3.5Å; Q230-H234 PolarHBondContact O-N 2.69Å; Q230-H234 PolarHBondContact O-ND1 3.5Å |
| 231 | Q | 64.1 | Low | 66.9 | Low | 128 Ų | 128 | 117.1 Ų | 117.1 | 60% | 0.598 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.8 | -41.6 | 174.5 | -69.3 | -75.7 | 8.3 | 0 | 0 | 112 | N227 Q228 Q229 N235 | N227-Q231 WeakPolarHBondContact O-CG 3.21Å; N227-Q231 PolarHBondContact O-N 2.9Å; Q228-Q231 PolarHBondContact O-N 3.49Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.29Å; Q231-N235 PolarHBondContact O-N 3.37Å |
| 232 | Q | 55.5 | Low | 64 | Low | 104 Ų | 104 | 116.8 Ų | 116.8 | 49% | 0.486 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.6 | -49.8 | 174.6 | -64.3 | -64.7 | -43.9 | 0 | 0 | 111.2 | Q228 Q229 H234 N235 Y236 | Q228-Q232 PolarHBondContact O-N 2.9Å; Q229-Q232 WeakPolarHBondContact O-CB 3.48Å; Q229-Q232 PolarHBondContact O-N 3.26Å; Q229-Q232 VanDerWaalsContact O-N 3.16Å; Q232-H234 PolarHBondContact O-N 2.99Å; Q232-N235 WeakPolarHBondContact O-CB 3.29Å; Q232-N235 PolarHBondContact O-N 2.97Å; Q232-Y236 VanDerWaalsContact O-CD2 3.25Å; Q232-Y236 WeakPolarHBondContact O-CD2 3.37Å; Q232-Y236 PolarHBondContact O-N 2.88Å |
| 233 | H | 53.8 | Low | 61.4 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 60% | 0.602 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.8 | -35.5 | -179 | -83 | -78 | 0 | 0 | 0 | 113.6 | Q229 Q230 N235 Y236 Q237 | Q229-H233 PolarHBondContact O-CD2 2.65Å; Q229-H233 PolarHBondContact O-N 2.87Å; Q230-H233 PolarHBondContact O-N 3.5Å; H233-N235 VanDerWaalsContact C-N 3.3Å; H233-N235 PolarHBondContact O-N 3.49Å; H233-Y236 PolarHBondContact O-N 2.94Å; H233-Q237 PolarHBondContact O-N 3.28Å; H233-Q237 VanDerWaalsContact O-N 3.15Å |
| 234 | H | 50.8 | Low | 58.9 | Low | 123 Ų | 123 | 117.1 Ų | 117.1 | 57% | 0.569 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.5 | -35 | 172.1 | -87.7 | 62.1 | 0 | 0 | 0 | 112.5 | Q230 Q232 | Q230-H234 PolarHBondContact O-N 2.69Å; Q230-H234 PolarHBondContact O-ND1 3.5Å; Q232-H234 PolarHBondContact O-N 2.99Å |
| 235 | N | 47.6 | Very low | 56.1 | Low | 115 Ų | 115 | 121.9 Ų | 121.9 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.3 | -38.5 | 178.4 | -159.8 | -107 | 0 | 0 | 0 | 112.2 | Q231 Q232 H233 | Q231-N235 PolarHBondContact O-N 3.37Å; Q232-N235 WeakPolarHBondContact O-CB 3.29Å; Q232-N235 PolarHBondContact O-N 2.97Å; H233-N235 VanDerWaalsContact C-N 3.3Å; H233-N235 PolarHBondContact O-N 3.49Å |
| 236 | Y | 43.4 | Very low | 53.2 | Low | 164 Ų | 164 | 124.3 Ų | 124.3 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.2 | -29.9 | 179.3 | -74.3 | -71.5 | 0 | 0 | 0 | 114.6 | Q232 H233 A238 I239 | Q232-Y236 VanDerWaalsContact O-CD2 3.25Å; Q232-Y236 WeakPolarHBondContact O-CD2 3.37Å; Q232-Y236 PolarHBondContact O-N 2.88Å; H233-Y236 PolarHBondContact O-N 2.94Å; Y236-A238 PolarHBondContact O-N 3.34Å; Y236-I239 PolarHBondContact O-N 2.85Å |
| 237 | Q | 48.3 | Very low | 50.5 | Low | 159 Ų | 159 | 124.5 Ų | 124.5 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -68.9 | -17.5 | 177.3 | -98.5 | -172.5 | -8.1 | 0 | 0 | 114.1 | H233 I239 | H233-Q237 PolarHBondContact O-N 3.28Å; H233-Q237 VanDerWaalsContact O-N 3.15Å; Q237-I239 PolarHBondContact O-N 3.46Å |
| 238 | A | 40.8 | Very low | 47.8 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -7.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y236 | Y236-A238 PolarHBondContact O-N 3.34Š|
| 239 | I | 49.4 | Very low | 45.2 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | trans | -124.3 | 71.3 | -177.2 | -46.4 | 179.1 | 0 | 0 | 0 | 110.1 | Y236 Q237 | Y236-I239 PolarHBondContact O-N 2.85Å; Q237-I239 PolarHBondContact O-N 3.46Å | ||
| 240 | L | 34.9 | Very low | 42.9 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 128 | 166.3 | -91.2 | 169.4 | 0 | 0 | 0 | 110.3 | ||
| 241 | P | 41.7 | Very low | 40.8 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 139.1 | 175.7 | -20.4 | 33 | 0 | 0 | 0 | 112.3 | ||
| 242 | A | 33.4 | Very low | 39.1 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 145.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 243 | P | 39.1 | Very low | 37.8 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 141.4 | -175.7 | 27.8 | -35.1 | 0 | 0 | 0 | 112.1 | ||
| 244 | P | 38.4 | Very low | 36.6 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72 | 141.3 | -179.4 | 29.9 | -34.8 | 0 | 0 | 0 | 111.7 | ||
| 245 | K | 31.1 | Very low | 35.6 | Very low | 209 Ų | 209 | 125.1 Ų | 125.1 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -116.3 | 150.5 | 159.4 | -78.2 | -171.4 | 174.2 | -178.9 | 0 | 110.2 | ||||
| 246 | S | 31.3 | Very low | 34.9 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -75 | 160.7 | -163.3 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 247 | A | 32.1 | Very low | 35.6 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | -63.5 | 156.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 248 | G | 30.7 | Very low | 35.6 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -176.5 | 136.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 249 | E | 30.1 | Very low | 35.1 | Very low | 193 Ų | 193 | 122.7 Ų | 122.7 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -89.1 | 171.6 | -164.3 | -64.2 | 159.9 | 84.9 | 0 | 0 | 115.2 | ||||
| 250 | A | 30.8 | Very low | 34.3 | Very low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | 85.7 | 136.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 251 | L | 29.9 | Very low | 34.2 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | trans | 31.6 | 138.7 | 147 | -82.3 | 65.4 | 0 | 0 | 0 | 121.3 | ||||
| 252 | G | 27.9 | Very low | 33.6 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 155.4 | 69.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 253 | S | 29.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 30.7 | 127.2 | 136 | -157.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 254 | S | 28.7 | Very low | 33 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | trans | 77.8 | 144.8 | 141 | -159.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 255 | G | 29.4 | Very low | 32.5 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 146.5 | 80.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 256 | T | 31.8 | Very low | 32.5 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -120.1 | -177.2 | 174.5 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 257 | P | 59.2 | Low | 32.7 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | -103.4 | -164.2 | -113.7 | 40 | -22.1 | 0 | 0 | 0 | 112.9 | |||||
| 258 | P | 48.2 | Very low | 32.6 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | -161.6 | 150.6 | 84.9 | 42.6 | -21.1 | 0 | 0 | 0 | 120.5 | |||||
| 259 | V | 30.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | 48.1 | 123.1 | 141.2 | -51.3 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 260 | R | 32.5 | Very low | 32.9 | Very low | 225 Ų | 225 | 121.2 Ų | 121.2 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | -177.2 | 125.6 | 112.2 | -93.4 | 170.7 | -178.6 | 90.7 | -6 | 107.9 | |||||
| 261 | S | 31.3 | Very low | 33 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 73.4 | 128.5 | 60 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 262 | L | 30.2 | Very low | 32.8 | Very low | 172 Ų | 172 | 118 Ų | 118 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | cis | -136 | 179.5 | 20.5 | -71.3 | 169.7 | 0 | 0 | 0 | 114.2 | ||||
| 263 | S | 30 | Very low | 32.9 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -136.1 | 163.5 | -172.7 | 15.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 264 | T | 29.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 119.5 Ų | 119.5 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -178.8 | 146.6 | 158.3 | 26.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 265 | T | 29.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 116.7 Ų | 116.7 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -159.9 | 158 | -11.7 | 3.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 266 | N | 30.7 | Very low | 34.2 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 68.2 | 129 | 163.7 | -63.5 | 7.6 | 0 | 0 | 0 | 118.5 | ||||
| 267 | S | 34.4 | Very low | 34 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | 89.4 | 140.9 | 28.6 | -55.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 268 | S | 30.6 | Very low | 32.4 | Very low | 101 Ų | 101 | 117 Ų | 117 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -155.6 | 160.5 | 17.7 | 57.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 269 | S | 34.3 | Very low | 31.5 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | 63.5 | 145.1 | 134.7 | 60.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 270 | S | 32.5 | Very low | 31.8 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | cis | -178.1 | 153.7 | -12.5 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 271 | S | 32.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 119 Ų | 119 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 61.4 | 149.6 | 150.8 | 57 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 272 | G | 26.2 | Very low | 31.4 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | cis | -173.4 | -173.5 | 2.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 273 | A | 30 | Very low | 31.3 | Very low | 99 Ų | 99 | 122 Ų | 122 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -123.2 | -177.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 274 | P | 40.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | cis | -134.1 | -158.7 | 6.2 | 41.7 | -20.4 | 0 | 0 | 0 | 115 | ||||
| 275 | G | 30.1 | Very low | 31.4 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -80.1 | -163.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 276 | P | 44.3 | Very low | 31.6 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | cis | -151.8 | 178.9 | 42.1 | 44.8 | -24.7 | 0 | 0 | 0 | 119.8 | ||||
| 277 | C | 27.4 | Very low | 31.8 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 91% | 0.905 | 79% | 0.786 | S | S | * | * | trans | 56.1 | 130.9 | 145.6 | -71.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 278 | G | 25.5 | Very low | 32.4 | Very low | 72 Ų | 72 | 122.1 Ų | 122.1 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 108.7 | 135.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 279 | L | 30.5 | Very low | 32.5 | Very low | 178 Ų | 178 | 120.5 Ų | 120.5 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | cis | -147.8 | 177.5 | 4.1 | -77.3 | 172.3 | 0 | 0 | 0 | 111.2 | ||||
| 280 | A | 35.6 | Very low | 32.7 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 76.4 | 69.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 281 | R | 28.3 | Very low | 33.4 | Very low | 216 Ų | 216 | 123.2 Ų | 123.2 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | 51.7 | 87.9 | 119 | -155.1 | 175.7 | -163 | -84.4 | 3.1 | 117.7 | |||||
| 282 | Q | 28.3 | Very low | 34.7 | Very low | 174 Ų | 174 | 120.1 Ų | 120.1 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 62.7 | 105.7 | 86.4 | -63.6 | 168.5 | -24.8 | 0 | 0 | 116.3 | |||||
| 283 | N | 28.3 | Very low | 36.6 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | -144.6 | 156.8 | 117.6 | -165.4 | 19.7 | 0 | 0 | 0 | 109.6 | |||||
| 284 | S | 32 | Very low | 38.9 | Very low | 92 Ų | 92 | 116.7 Ų | 116.7 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | trans | -110.5 | 146.4 | -172.6 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 285 | T | 27.7 | Very low | 40.4 | Very low | 141 Ų | 141 | 113.9 Ų | 113.9 | 87% | 0.865 | 71% | 0.711 | S | S | * | * | trans | -157.9 | 123.7 | 134.5 | 14.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 286 | S | 33.9 | Very low | 42.3 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | trans | -74.4 | 164.7 | 142.6 | 50.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 287 | L | 35.2 | Very low | 44 | Very low | 149 Ų | 149 | 113.8 Ų | 113.8 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | 166.7 | 151.8 | 118.3 | -89.3 | 171.7 | 0 | 0 | 0 | 112.1 | G289 | L287-G289 PolarHBondContact O-N 2.96Š| |||
| 288 | T | 47.6 | Very low | 46.9 | Very low | 141 Ų | 141 | 107.5 Ų | 107.5 | 87% | 0.865 | 66% | 0.661 | S | S | * | * | trans | -58.6 | 109.9 | 150.2 | 47.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 289 | G | 31.7 | Very low | 49.9 | Very low | 66 Ų | 66 | 107.9 Ų | 107.9 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | trans | -149 | 162.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L287 | L287-G289 PolarHBondContact O-N 2.96Š| ||
| 290 | K | 40 | Very low | 52.8 | Low | 200 Ų | 200 | 105.3 Ų | 105.3 | 87% | 0.87 | 63% | 0.633 | S | S | * | * | trans | -57.9 | 145.1 | 179.7 | -65.2 | 176.6 | 177.5 | 179.5 | 0 | 111.1 | G292 | K290-G292 PolarHBondContact O-N 3.34Š| ||
| 291 | P | 47 | Very low | 55.3 | Low | 57 Ų | 57 | 102.3 Ų | 102.3 | 37% | 0.37 | 60% | 0.603 | S | S | . | * | trans | -60.8 | 135.2 | 173.9 | 27 | -34.5 | 0 | 0 | 0 | 110.4 | R313 | P291-R313 HydrophobicContact CB-CG 4.04Å; P291-R313 HydrophobicContact CG-CG 4.24Å | ||
| 292 | G | 59.1 | Low | 58.4 | Low | 53 Ų | 53 | 98.8 Ų | 98.8 | 55% | 0.546 | 59% | 0.594 | S | S | . | * | trans | -68.2 | -179.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K290 R313 | K290-G292 PolarHBondContact O-N 3.34Å; G292-R313 PolarHBondContact O-NH1 3.45Å; G292-R313 PolarHBondContact O-NH2 2.75Å | ||
| 293 | A | 66.5 | Low | 61.5 | Low | 99 Ų | 99 | 93.6 Ų | 93.6 | 82% | 0.818 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 138.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 294 | L | 77.4 | Confident | 64.6 | Low | 10 Ų | 10 | 89.4 Ų | 89.4 | 5% | 0.052 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -72.8 | 147.6 | 174 | -76.8 | 166.4 | 0 | 0 | 0 | 110.9 | L298 E309 R313 L328 Q332 | L294-L298 HydrophobicContact CB-CD2 4.28Å; L294-L298 HydrophobicContact CD1-CD2 4.42Å; L294-L298 HydrophobicContact CD2-CD2 4.12Å; L294-E309 HydrophobicContact CD2-CG 3.34Å; L294-R313 VanDerWaalsContact CG-CZ 3.49Å; L294-L328 HydrophobicContact CD1-CB 3.91Å; L294-L328 HydrophobicContact CD1-CD2 4.24Å; L294-L328 VanDerWaalsContact CD1-O 3.3Å; L294-L328 WeakPolarHBondContact CD1-O 3.48Å; L294-L328 HydrophobicContact CD2-CD2 4.34Å; L294-Q332 HydrophobicContact CD1-CB 4.12Å; L294-Q332 PolarHBondContact O-NE2 3.26Å |
| 295 | P | 72.8 | Confident | 67.6 | Low | 70 Ų | 70 | 88.7 Ų | 88.7 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 136.8 | 168.6 | 29.4 | -34.1 | 0 | 0 | 0 | 109.8 | N297 M301 | P295-N297 PolarHBondContact O-N 2.94Å; P295-N297 VanDerWaalsContact O-N 3.08Å; P295-M301 HydrophobicContact CG-SD 3.89Å |
| 296 | A | 70.4 | Confident | 70.8 | Confident | 105 Ų | 105 | 82 Ų | 82 | 87% | 0.868 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -64.6 | -15.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 297 | N | 79.8 | Confident | 73.6 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | trans | -106.8 | 88.8 | 172.6 | -172 | -18.7 | 0 | 0 | 0 | 109.7 | P295 D299 D300 | P295-N297 PolarHBondContact O-N 2.94Å; P295-N297 VanDerWaalsContact O-N 3.08Å; N297-D299 PolarHBondContact OD1-N 3Å; N297-D300 PolarHBondContact ND2-OD2 3.48Å; N297-D300 PolarHBondContact OD1-N 3.36Å | ||
| 298 | L | 87.1 | Confident | 76.5 | Confident | 3 Ų | 3 | 80.5 Ų | 80.5 | 2% | 0.016 | 48% | 0.484 | C | S | . | . | trans | -80.4 | -22.9 | 171.9 | -62.7 | 173.4 | 0 | 0 | 0 | 111.7 | L294 M301 I325 L328 R329 | L294-L298 HydrophobicContact CB-CD2 4.28Å; L294-L298 HydrophobicContact CD1-CD2 4.42Å; L294-L298 HydrophobicContact CD2-CD2 4.12Å; L298-M301 HydrophobicContact CD2-SD 3.86Å; L298-M301 WeakPolarHBondContact O-CB 3.39Å; L298-M301 PolarHBondContact O-N 3.38Å; L298-I325 HydrophobicContact CB-CB 4.49Å; L298-I325 HydrophobicContact CB-CG1 4.27Å; L298-I325 HydrophobicContact CB-CG2 3.76Å; L298-I325 HydrophobicContact CD1-CG2 4.24Å; L298-L328 HydrophobicContact CD1-CB 3.87Å; L298-L328 HydrophobicContact CD2-CB 4.31Å; L298-L328 HydrophobicContact CD2-CD1 4.23Å; L298-R329 HydrophobicContact CD1-CB 4.08Å; L298-R329 HydrophobicContact CD1-CG 4.43Å | ||
| 299 | D | 89.6 | Confident | 78.6 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -77 | -22.5 | -169.8 | -61.6 | -105 | 0 | 0 | 0 | 112.8 | N297 K321 I325 R329 | N297-D299 PolarHBondContact OD1-N 3Å; D299-K321 WeakPolarHBondContact O-CE 3.41Å; D299-K321 PolarHBondContact O-NZ 2.91Å; D299-I325 HydrophobicContact CB-CD1 4.37Å; D299-R329 IonicContact OD1-NH2 2.69Å; D299-R329 PolarHBondContact OD1-NH2 3.44Å; D299-R329 IonicContact OD2-CZ 2.82Å; D299-R329 IonicContact OD2-NH2 3.18Å; D299-R329 PolarHBondContact OD2-NH2 3.09Å |
| 300 | D | 89.9 | Confident | 81.6 | Confident | 125 Ų | 125 | 72.4 Ų | 72.4 | 67% | 0.668 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -81.8 | -25.7 | 169.9 | -73.4 | -23.4 | 0 | 0 | 0 | 113.5 | N297 | N297-D300 PolarHBondContact ND2-OD2 3.48Å; N297-D300 PolarHBondContact OD1-N 3.36Å |
| 301 | M | 88.9 | Confident | 84.3 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 15% | 0.153 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -57.2 | 143.8 | -178 | -65.2 | -179.5 | 67.9 | 0 | 0 | 112.4 | P295 L298 E305 L306 K321 | P295-M301 HydrophobicContact CG-SD 3.89Å; L298-M301 HydrophobicContact CD2-SD 3.86Å; L298-M301 WeakPolarHBondContact O-CB 3.39Å; L298-M301 PolarHBondContact O-N 3.38Å; M301-E305 WeakPolarHBondContact CA-OE2 3.44Å; M301-E305 HydrophobicContact CB-CB 4.48Å; M301-E305 HydrophobicContact CE-CB 3.76Å; M301-L306 HydrophobicContact CB-CD1 4.43Å; M301-L306 HydrophobicContact CB-CD2 3.89Å; M301-L306 HydrophobicContact CB-CG 3.83Å; M301-L306 HydrophobicContact SD-CD2 4.17Å; M301-K321 WeakPolarHBondContact O-CE 3.26Å; M301-K321 PolarHBondContact O-NZ 3.09Å |
| 302 | K | 93.6 | Very high | 86.4 | Confident | 143 Ų | 143 | 73.5 Ų | 73.5 | 62% | 0.622 | 42% | 0.422 | S | S | * | . | trans | -75.1 | 154.7 | 177.8 | -61.6 | -178.4 | -179.5 | 172.6 | 0 | 110.9 | A304 E305 L306 | K302-A304 PolarHBondContact O-N 3.49Å; K302-A304 VanDerWaalsContact O-N 3.11Å; K302-E305 HydrophobicContact CB-CG 4.42Å; K302-E305 WeakPolarHBondContact CB-OE1 3.5Å; K302-E305 WeakPolarHBondContact CD-OE1 3.37Å; K302-E305 WeakPolarHBondContact CG-OE1 3.21Å; K302-E305 PolarHBondContact N-OE2 2.92Å; K302-E305 WeakPolarHBondContact O-CB 3.21Å; K302-E305 PolarHBondContact O-N 2.86Å; K302-L306 WeakPolarHBondContact O-CG 3.08Å; K302-L306 PolarHBondContact O-N 2.94Å | ||
| 303 | V | 92.4 | Very high | 87.9 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 39% | 0.394 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.8 | -30.3 | 179.8 | 175.3 | 0 | 0 | 0 | 0 | 112.6 | K307 K321 L324 | V303-K307 HydrophobicContact CG1-CD 3.93Å; V303-K307 WeakPolarHBondContact O-CB 3.2Å; V303-K307 WeakPolarHBondContact O-CD 3.39Å; V303-K307 WeakPolarHBondContact O-CG 3.39Å; V303-K307 PolarHBondContact O-N 2.97Å; V303-K307 VanDerWaalsContact O-N 3.13Å; V303-K321 HydrophobicContact CG2-CB 3.84Å; V303-K321 HydrophobicContact CG2-CD 4.13Å; V303-K321 HydrophobicContact CG2-CG 4.13Å; V303-L324 HydrophobicContact CG1-CD1 3.89Å |
| 304 | A | 94.1 | Very high | 88.9 | Confident | 74 Ų | 74 | 72.2 Ų | 72.2 | 61% | 0.612 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.8 | -48.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K302 K307 Q308 | K302-A304 PolarHBondContact O-N 3.49Å; K302-A304 VanDerWaalsContact O-N 3.11Å; A304-K307 PolarHBondContact O-N 3.5Å; A304-Q308 WeakPolarHBondContact O-CB 3.39Å; A304-Q308 PolarHBondContact O-N 3.03Å |
| 305 | E | 94.1 | Very high | 89.5 | Confident | 77 Ų | 77 | 73.8 Ų | 73.8 | 36% | 0.36 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 179 | -63.2 | 145.9 | -151.8 | 0 | 0 | 110.8 | M301 K302 K307 Q308 E309 | M301-E305 WeakPolarHBondContact CA-OE2 3.44Å; M301-E305 HydrophobicContact CB-CB 4.48Å; M301-E305 HydrophobicContact CE-CB 3.76Å; K302-E305 HydrophobicContact CB-CG 4.42Å; K302-E305 WeakPolarHBondContact CB-OE1 3.5Å; K302-E305 WeakPolarHBondContact CD-OE1 3.37Å; K302-E305 WeakPolarHBondContact CG-OE1 3.21Å; K302-E305 PolarHBondContact N-OE2 2.92Å; K302-E305 WeakPolarHBondContact O-CB 3.21Å; K302-E305 PolarHBondContact O-N 2.86Å; E305-K307 VanDerWaalsContact C-N 3.32Å; E305-K307 PolarHBondContact O-N 3.2Å; E305-Q308 WeakPolarHBondContact O-CB 3.2Å; E305-Q308 PolarHBondContact O-N 2.85Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 PolarHBondContact O-N 2.95Å |
| 306 | L | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 174.8 | -68.9 | 165.5 | 0 | 0 | 0 | 111.9 | M301 K302 E309 L310 K321 L324 I325 L328 | M301-L306 HydrophobicContact CB-CD1 4.43Å; M301-L306 HydrophobicContact CB-CD2 3.89Å; M301-L306 HydrophobicContact CB-CG 3.83Å; M301-L306 HydrophobicContact SD-CD2 4.17Å; K302-L306 WeakPolarHBondContact O-CG 3.08Å; K302-L306 PolarHBondContact O-N 2.94Å; L306-E309 PolarHBondContact O-N 3.19Å; L306-L310 WeakPolarHBondContact O-CB 3.46Å; L306-L310 WeakPolarHBondContact O-CD1 3.49Å; L306-L310 VanDerWaalsContact O-CG 3.23Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.27Å; L306-K321 HydrophobicContact CD1-CD 4.26Å; L306-K321 HydrophobicContact CD1-CG 3.81Å; L306-L324 HydrophobicContact CB-CB 4.23Å; L306-I325 HydrophobicContact CD1-CD1 4.23Å; L306-I325 HydrophobicContact CD1-CG1 3.75Å; L306-I325 HydrophobicContact CD2-CG1 3.74Å; L306-I325 HydrophobicContact CG-CG1 4.42Å; L306-L328 HydrophobicContact CD2-CD1 3.61Å |
| 307 | K | 94.3 | Very high | 91.6 | Very high | 91 Ų | 91 | 71.9 Ų | 71.9 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.7 | -33.5 | 177.2 | -73.6 | 173.1 | 62.9 | 166.5 | 0 | 113.1 | V303 A304 E305 K311 V317 L324 | V303-K307 HydrophobicContact CG1-CD 3.93Å; V303-K307 WeakPolarHBondContact O-CB 3.2Å; V303-K307 WeakPolarHBondContact O-CD 3.39Å; V303-K307 WeakPolarHBondContact O-CG 3.39Å; V303-K307 PolarHBondContact O-N 2.97Å; V303-K307 VanDerWaalsContact O-N 3.13Å; A304-K307 PolarHBondContact O-N 3.5Å; E305-K307 VanDerWaalsContact C-N 3.32Å; E305-K307 PolarHBondContact O-N 3.2Å; K307-K311 WeakPolarHBondContact O-CB 3.5Å; K307-K311 PolarHBondContact O-N 2.92Å; K307-V317 HydrophobicContact CB-CB 4.44Å; K307-V317 WeakPolarHBondContact CE-O 3.41Å; K307-V317 HydrophobicContact CG-CB 4.38Å; K307-V317 WeakPolarHBondContact O-CG1 3.31Å; K307-L324 HydrophobicContact CD-CD1 4.19Å; K307-L324 HydrophobicContact CG-CD1 3.89Å; K307-L324 HydrophobicContact CG-CD2 3.86Å |
| 308 | Q | 95.2 | Very high | 92.1 | Very high | 123 Ų | 123 | 72.2 Ų | 72.2 | 58% | 0.575 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.9 | -45.7 | 171.3 | 174.1 | 177.2 | -9.1 | 0 | 0 | 110.6 | A304 E305 K311 L312 | A304-Q308 WeakPolarHBondContact O-CB 3.39Å; A304-Q308 PolarHBondContact O-N 3.03Å; E305-Q308 WeakPolarHBondContact O-CB 3.2Å; E305-Q308 PolarHBondContact O-N 2.85Å; Q308-K311 WeakPolarHBondContact O-CB 3.36Å; Q308-K311 PolarHBondContact O-N 2.66Å; Q308-K311 VanDerWaalsContact O-N 3.15Å; Q308-L312 HydrophobicContact CG-CD1 4.37Å; Q308-L312 WeakPolarHBondContact O-CG 3.47Å; Q308-L312 PolarHBondContact O-N 2.78Å |
| 309 | E | 92.9 | Very high | 92.3 | Very high | 38 Ų | 38 | 74.3 Ų | 74.3 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.6 | -39.6 | -177.6 | -165.8 | 57.8 | -146.4 | 0 | 0 | 112.3 | L294 E305 L306 K311 L312 R313 L328 | L294-E309 HydrophobicContact CD2-CG 3.34Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 PolarHBondContact O-N 2.95Å; L306-E309 PolarHBondContact O-N 3.19Å; E309-K311 VanDerWaalsContact C-N 3.34Å; E309-L312 PolarHBondContact O-N 2.85Å; E309-R313 WeakPolarHBondContact O-CB 3.42Å; E309-R313 WeakPolarHBondContact O-CD 3.47Å; E309-R313 WeakPolarHBondContact O-CG 3.26Å; E309-R313 PolarHBondContact O-N 3.31Å; E309-R313 VanDerWaalsContact O-N 3.12Å; E309-R313 IonicContact OE1-CZ 3.96Å; E309-R313 IonicContact OE1-NE 2.81Å; E309-R313 PolarHBondContact OE1-NE 3.27Å; E309-R313 IonicContact OE1-NH2 3.62Å; E309-R313 PolarHBondContact OE1-NH2 2.8Å; E309-L328 HydrophobicContact CB-CD1 4.06Å; E309-L328 HydrophobicContact CB-CD2 4.23Å; E309-L328 HydrophobicContact CG-CD1 4.11Å; E309-L328 HydrophobicContact CG-CD2 3.89Å |
| 310 | L | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 169 | -73.3 | 161.7 | 0 | 0 | 0 | 111.4 | L306 R313 S314 L315 V317 L324 R327 L328 | L306-L310 WeakPolarHBondContact O-CB 3.46Å; L306-L310 WeakPolarHBondContact O-CD1 3.49Å; L306-L310 VanDerWaalsContact O-CG 3.23Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.27Å; L310-R313 CarbonylContact O-C 3.44Å; L310-R313 PolarHBondContact O-N 3.04Å; L310-R313 VanDerWaalsContact O-N 3.13Å; L310-S314 PolarHBondContact O-N 3.06Å; L310-S314 VanDerWaalsContact O-N 3.11Å; L310-L315 HydrophobicContact CB-CB 4.18Å; L310-L315 HydrophobicContact CD2-CB 3.53Å; L310-L315 HydrophobicContact CD2-CD1 3.71Å; L310-L315 HydrophobicContact CD2-CG 4.27Å; L310-L315 HydrophobicContact CG-CB 4.48Å; L310-L315 PolarHBondContact O-N 3.49Å; L310-V317 HydrophobicContact CB-CG1 3.9Å; L310-L324 HydrophobicContact CD1-CB 3.81Å; L310-L324 HydrophobicContact CD1-CD2 3.28Å; L310-L324 HydrophobicContact CD1-CG 4.14Å; L310-R327 HydrophobicContact CD2-CB 3.63Å; L310-L328 HydrophobicContact CD2-CD2 3.69Å; L310-L328 HydrophobicContact CD2-CG 3.73Å; L310-L328 HydrophobicContact CG-CD1 4.28Å; L310-L328 HydrophobicContact CG-CD2 3.8Å; L310-L328 HydrophobicContact CG-CG 3.81Å |
| 311 | K | 95.3 | Very high | 92.8 | Very high | 167 Ų | 167 | 71.5 Ų | 71.5 | 73% | 0.726 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 176.9 | -172.2 | 178.4 | 178.5 | -176.9 | 0 | 112.1 | K307 Q308 E309 R313 S314 V317 | K307-K311 WeakPolarHBondContact O-CB 3.5Å; K307-K311 PolarHBondContact O-N 2.92Å; Q308-K311 WeakPolarHBondContact O-CB 3.36Å; Q308-K311 PolarHBondContact O-N 2.66Å; Q308-K311 VanDerWaalsContact O-N 3.15Å; E309-K311 VanDerWaalsContact C-N 3.34Å; K311-R313 PolarHBondContact O-N 2.88Å; K311-S314 PolarHBondContact O-N 2.92Å; K311-V317 HydrophobicContact CB-CG1 4.16Å |
| 312 | L | 92.1 | Very high | 93.1 | Very high | 113 Ų | 113 | 74.6 Ų | 74.6 | 59% | 0.592 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.3 | -27 | 173.9 | -71.3 | 173 | 0 | 0 | 0 | 112.8 | Q308 E309 | Q308-L312 HydrophobicContact CG-CD1 4.37Å; Q308-L312 WeakPolarHBondContact O-CG 3.47Å; Q308-L312 PolarHBondContact O-N 2.78Å; E309-L312 PolarHBondContact O-N 2.85Å |
| 313 | R | 89 | Confident | 93.1 | Very high | 7 Ų | 7 | 71.3 Ų | 71.3 | 3% | 0.026 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 6.8 | 179.6 | -66.8 | 167.6 | -172 | -80.9 | -14.9 | 113.6 | P291 G292 L294 E309 L310 K311 L315 Y331 | P291-R313 HydrophobicContact CB-CG 4.04Å; P291-R313 HydrophobicContact CG-CG 4.24Å; G292-R313 PolarHBondContact O-NH1 3.45Å; G292-R313 PolarHBondContact O-NH2 2.75Å; L294-R313 VanDerWaalsContact CG-CZ 3.49Å; E309-R313 WeakPolarHBondContact O-CB 3.42Å; E309-R313 WeakPolarHBondContact O-CD 3.47Å; E309-R313 WeakPolarHBondContact O-CG 3.26Å; E309-R313 PolarHBondContact O-N 3.31Å; E309-R313 VanDerWaalsContact O-N 3.12Å; E309-R313 IonicContact OE1-CZ 3.96Å; E309-R313 IonicContact OE1-NE 2.81Å; E309-R313 PolarHBondContact OE1-NE 3.27Å; E309-R313 IonicContact OE1-NH2 3.62Å; E309-R313 PolarHBondContact OE1-NH2 2.8Å; L310-R313 CarbonylContact O-C 3.44Å; L310-R313 PolarHBondContact O-N 3.04Å; L310-R313 VanDerWaalsContact O-N 3.13Å; K311-R313 PolarHBondContact O-N 2.88Å; R313-L315 HydrophobicContact CB-CD1 3.79Å; R313-L315 HydrophobicContact CB-CG 4.04Å; R313-L315 PolarHBondContact O-N 2.92Å; R313-Y331 HydrophobicContact CB-CD1 4.2Å; R313-Y331 HydrophobicContact CB-CE1 3.71Å; R313-Y331 HydrophobicContact CG-CD1 4.04Å; R313-Y331 HydrophobicContact CG-CE1 3.51Å |
| 314 | S | 87.6 | Confident | 93.3 | Very high | 118 Ų | 118 | 68.2 Ų | 68.2 | 83% | 0.825 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 26.1 | -174.8 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | L310 K311 | L310-S314 PolarHBondContact O-N 3.06Å; L310-S314 VanDerWaalsContact O-N 3.11Å; K311-S314 PolarHBondContact O-N 2.92Å |
| 315 | L | 91.6 | Very high | 93.3 | Very high | 42 Ų | 42 | 64.9 Ų | 64.9 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | trans | -92.2 | 155.6 | 178.6 | -64.5 | 167.4 | 0 | 0 | 0 | 111.4 | L310 R313 L328 Y331 | L310-L315 HydrophobicContact CB-CB 4.18Å; L310-L315 HydrophobicContact CD2-CB 3.53Å; L310-L315 HydrophobicContact CD2-CD1 3.71Å; L310-L315 HydrophobicContact CD2-CG 4.27Å; L310-L315 HydrophobicContact CG-CB 4.48Å; L310-L315 PolarHBondContact O-N 3.49Å; R313-L315 HydrophobicContact CB-CD1 3.79Å; R313-L315 HydrophobicContact CB-CG 4.04Å; R313-L315 PolarHBondContact O-N 2.92Å; L315-L328 HydrophobicContact CD1-CD2 4.36Å; L315-Y331 HydrophobicContact CD1-CD1 4.23Å; L315-Y331 HydrophobicContact CD1-CD2 3.89Å; L315-Y331 HydrophobicContact CD1-CG 3.71Å; L315-Y331 HydrophobicContact CD2-CD2 4.02Å; L315-Y331 HydrophobicContact CG-CD2 4.3Å | ||
| 316 | P | 93.3 | Very high | 93.3 | Very high | 78 Ų | 78 | 67.1 Ų | 67.1 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | trans | -57.7 | 141.5 | 176 | -24.8 | 34.4 | 0 | 0 | 0 | 112.8 | R327 | P316-R327 PolarHBondContact O-NH1 3.17Š| ||
| 317 | V | 93.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 69.7 Ų | 69.7 | 35% | 0.352 | 38% | 0.38 | S | S | . | . | trans | -114.4 | 5.3 | -173.9 | -58.7 | 0 | 0 | 0 | 0 | 115.1 | K307 L310 K311 | K307-V317 HydrophobicContact CB-CB 4.44Å; K307-V317 WeakPolarHBondContact CE-O 3.41Å; K307-V317 HydrophobicContact CG-CB 4.38Å; K307-V317 WeakPolarHBondContact O-CG1 3.31Å; L310-V317 HydrophobicContact CB-CG1 3.9Å; K311-V317 HydrophobicContact CB-CG1 4.16Å | ||
| 318 | S | 90.4 | Very high | 93.2 | Very high | 85 Ų | 85 | 65.4 Ų | 65.4 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | trans | -83.2 | 161.5 | 171.5 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | R327 | S318-R327 PolarHBondContact O-NH1 3.35Å; S318-R327 PolarHBondContact O-NH2 2.88Å | ||
| 319 | G | 91.8 | Very high | 93 | Very high | 47 Ų | 47 | 64.8 Ų | 64.8 | 49% | 0.485 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 112.7 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E323 | G319-E323 WeakPolarHBondContact CA-OE2 3.28Š|
| 320 | T | 94.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 65.2 Ų | 65.2 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | trans | -77.3 | 163 | 178.6 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | T322 E323 L324 | T320-T322 PolarHBondContact O-N 3.48Å; T320-T322 PolarHBondContact OG1-OG1 2.94Å; T320-T322 VanDerWaalsContact OG1-OG1 3.05Å; T320-E323 VanDerWaalsContact CB-OE1 3.31Å; T320-E323 WeakPolarHBondContact CB-OE1 3.46Å; T320-E323 WeakPolarHBondContact CG2-OE1 3.36Å; T320-E323 VanDerWaalsContact N-CD 3.32Å; T320-E323 PolarHBondContact N-OE1 3.21Å; T320-E323 PolarHBondContact N-OE2 3.46Å; T320-E323 VanDerWaalsContact N-OE2 3.09Å; T320-E323 PolarHBondContact O-N 3.28Å; T320-E323 VanDerWaalsContact O-N 3.13Å; T320-E323 WeakPolarHBondContact OG1-CG 3.25Å; T320-E323 PolarHBondContact OG1-OE1 2.83Å; T320-L324 VanDerWaalsContact O-CG 3.25Å; T320-L324 WeakPolarHBondContact O-CG 3.41Å; T320-L324 PolarHBondContact O-N 3.05Å | ||
| 321 | K | 94.8 | Very high | 92.4 | Very high | 74 Ų | 74 | 67.9 Ų | 67.9 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -52 | -43.4 | 179.7 | 178.1 | 165.6 | 167.7 | 169.5 | 0 | 112.1 | D299 M301 V303 L306 L324 I325 | D299-K321 WeakPolarHBondContact O-CE 3.41Å; D299-K321 PolarHBondContact O-NZ 2.91Å; M301-K321 WeakPolarHBondContact O-CE 3.26Å; M301-K321 PolarHBondContact O-NZ 3.09Å; V303-K321 HydrophobicContact CG2-CB 3.84Å; V303-K321 HydrophobicContact CG2-CD 4.13Å; V303-K321 HydrophobicContact CG2-CG 4.13Å; L306-K321 HydrophobicContact CD1-CD 4.26Å; L306-K321 HydrophobicContact CD1-CG 3.81Å; K321-L324 PolarHBondContact O-N 3.06Å; K321-I325 HydrophobicContact CD-CD1 4.43Å; K321-I325 HydrophobicContact CG-CD1 3.75Å; K321-I325 WeakPolarHBondContact O-CD1 3.28Å; K321-I325 VanDerWaalsContact O-CG1 3.31Å; K321-I325 WeakPolarHBondContact O-CG1 3.47Å; K321-I325 PolarHBondContact O-N 3.38Å |
| 322 | T | 94.4 | Very high | 92 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 60% | 0.595 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.6 | -46.2 | 178.4 | 36.6 | 0 | 0 | 0 | 0 | 112.7 | T320 L324 I325 E326 | T320-T322 PolarHBondContact O-N 3.48Å; T320-T322 PolarHBondContact OG1-OG1 2.94Å; T320-T322 VanDerWaalsContact OG1-OG1 3.05Å; T322-L324 VanDerWaalsContact C-N 3.3Å; T322-L324 PolarHBondContact O-N 3.33Å; T322-I325 PolarHBondContact O-N 3.47Å; T322-E326 VanDerWaalsContact O-CB 3.32Å; T322-E326 WeakPolarHBondContact O-CB 3.5Å; T322-E326 PolarHBondContact O-N 3.07Å |
| 323 | E | 94.9 | Very high | 91.3 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 34% | 0.341 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.9 | -32 | 178.2 | -60.6 | 151.7 | -137.1 | 0 | 0 | 112.1 | G319 T320 R327 | G319-E323 WeakPolarHBondContact CA-OE2 3.28Å; T320-E323 VanDerWaalsContact CB-OE1 3.31Å; T320-E323 WeakPolarHBondContact CB-OE1 3.46Å; T320-E323 WeakPolarHBondContact CG2-OE1 3.36Å; T320-E323 VanDerWaalsContact N-CD 3.32Å; T320-E323 PolarHBondContact N-OE1 3.21Å; T320-E323 PolarHBondContact N-OE2 3.46Å; T320-E323 VanDerWaalsContact N-OE2 3.09Å; T320-E323 PolarHBondContact O-N 3.28Å; T320-E323 VanDerWaalsContact O-N 3.13Å; T320-E323 WeakPolarHBondContact OG1-CG 3.25Å; T320-E323 PolarHBondContact OG1-OE1 2.83Å; E323-R327 VanDerWaalsContact C-NH2 3.32Å; E323-R327 PolarHBondContact O-N 3.14Å; E323-R327 VanDerWaalsContact O-N 3.14Å; E323-R327 PolarHBondContact O-NE 3.03Å; E323-R327 PolarHBondContact O-NH2 2.89Å; E323-R327 IonicContact OE2-NH2 2.71Å |
| 324 | L | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 177.1 | -65.3 | 164.7 | 0 | 0 | 0 | 110.5 | V303 L306 K307 L310 T320 K321 T322 L328 | V303-L324 HydrophobicContact CG1-CD1 3.89Å; L306-L324 HydrophobicContact CB-CB 4.23Å; K307-L324 HydrophobicContact CD-CD1 4.19Å; K307-L324 HydrophobicContact CG-CD1 3.89Å; K307-L324 HydrophobicContact CG-CD2 3.86Å; L310-L324 HydrophobicContact CD1-CB 3.81Å; L310-L324 HydrophobicContact CD1-CD2 3.28Å; L310-L324 HydrophobicContact CD1-CG 4.14Å; T320-L324 VanDerWaalsContact O-CG 3.25Å; T320-L324 WeakPolarHBondContact O-CG 3.41Å; T320-L324 PolarHBondContact O-N 3.05Å; K321-L324 PolarHBondContact O-N 3.06Å; T322-L324 VanDerWaalsContact C-N 3.3Å; T322-L324 PolarHBondContact O-N 3.33Å; L324-L328 PolarHBondContact O-N 2.95Å |
| 325 | I | 94.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 171.9 | -69.2 | 158.8 | 0 | 0 | 0 | 110.8 | L298 D299 L306 K321 T322 R327 L328 R329 | L298-I325 HydrophobicContact CB-CB 4.49Å; L298-I325 HydrophobicContact CB-CG1 4.27Å; L298-I325 HydrophobicContact CB-CG2 3.76Å; L298-I325 HydrophobicContact CD1-CG2 4.24Å; D299-I325 HydrophobicContact CB-CD1 4.37Å; L306-I325 HydrophobicContact CD1-CD1 4.23Å; L306-I325 HydrophobicContact CD1-CG1 3.75Å; L306-I325 HydrophobicContact CD2-CG1 3.74Å; L306-I325 HydrophobicContact CG-CG1 4.42Å; K321-I325 HydrophobicContact CD-CD1 4.43Å; K321-I325 HydrophobicContact CG-CD1 3.75Å; K321-I325 WeakPolarHBondContact O-CD1 3.28Å; K321-I325 VanDerWaalsContact O-CG1 3.31Å; K321-I325 WeakPolarHBondContact O-CG1 3.47Å; K321-I325 PolarHBondContact O-N 3.38Å; T322-I325 PolarHBondContact O-N 3.47Å; I325-R327 VanDerWaalsContact C-N 3.32Å; I325-R327 PolarHBondContact O-N 2.74Å; I325-L328 PolarHBondContact O-N 3.27Å; I325-R329 VanDerWaalsContact CG2-NH2 3.29Å; I325-R329 WeakPolarHBondContact O-CB 3.47Å; I325-R329 PolarHBondContact O-N 2.78Å |
| 326 | E | 94.2 | Very high | 87.1 | Confident | 125 Ų | 125 | 71.6 Ų | 71.6 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57 | -42.9 | -178.3 | -177.5 | 173.9 | -144.3 | 0 | 0 | 112.2 | T322 R329 A330 | T322-E326 VanDerWaalsContact O-CB 3.32Å; T322-E326 WeakPolarHBondContact O-CB 3.5Å; T322-E326 PolarHBondContact O-N 3.07Å; E326-R329 PolarHBondContact O-N 3.42Å; E326-A330 VanDerWaalsContact O-CB 3.3Å; E326-A330 WeakPolarHBondContact O-CB 3.28Å; E326-A330 PolarHBondContact O-N 3.03Å |
| 327 | R | 94.6 | Very high | 84.5 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 20% | 0.204 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 174 | -85.5 | 165.2 | -77.8 | 169.8 | -18.3 | 113.7 | L310 P316 S318 E323 I325 Y331 | L310-R327 HydrophobicContact CD2-CB 3.63Å; P316-R327 PolarHBondContact O-NH1 3.17Å; S318-R327 PolarHBondContact O-NH1 3.35Å; S318-R327 PolarHBondContact O-NH2 2.88Å; E323-R327 VanDerWaalsContact C-NH2 3.32Å; E323-R327 PolarHBondContact O-N 3.14Å; E323-R327 VanDerWaalsContact O-N 3.14Å; E323-R327 PolarHBondContact O-NE 3.03Å; E323-R327 PolarHBondContact O-NH2 2.89Å; E323-R327 IonicContact OE2-NH2 2.71Å; I325-R327 VanDerWaalsContact C-N 3.32Å; I325-R327 PolarHBondContact O-N 2.74Å; R327-Y331 VanDerWaalsContact O-CB 3.3Å; R327-Y331 WeakPolarHBondContact O-CB 3.42Å; R327-Y331 PolarHBondContact O-N 3.18Å; R327-Y331 VanDerWaalsContact O-N 3.09Å |
| 328 | L | 92.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69 | -39.8 | 174.6 | -72.3 | 176.4 | 0 | 0 | 0 | 111.5 | L294 L298 L306 E309 L310 L315 L324 I325 Y331 Q332 | L294-L328 HydrophobicContact CD1-CB 3.91Å; L294-L328 HydrophobicContact CD1-CD2 4.24Å; L294-L328 VanDerWaalsContact CD1-O 3.3Å; L294-L328 WeakPolarHBondContact CD1-O 3.48Å; L294-L328 HydrophobicContact CD2-CD2 4.34Å; L298-L328 HydrophobicContact CD1-CB 3.87Å; L298-L328 HydrophobicContact CD2-CB 4.31Å; L298-L328 HydrophobicContact CD2-CD1 4.23Å; L306-L328 HydrophobicContact CD2-CD1 3.61Å; E309-L328 HydrophobicContact CB-CD1 4.06Å; E309-L328 HydrophobicContact CB-CD2 4.23Å; E309-L328 HydrophobicContact CG-CD1 4.11Å; E309-L328 HydrophobicContact CG-CD2 3.89Å; L310-L328 HydrophobicContact CD2-CD2 3.69Å; L310-L328 HydrophobicContact CD2-CG 3.73Å; L310-L328 HydrophobicContact CG-CD1 4.28Å; L310-L328 HydrophobicContact CG-CD2 3.8Å; L310-L328 HydrophobicContact CG-CG 3.81Å; L315-L328 HydrophobicContact CD1-CD2 4.36Å; L324-L328 PolarHBondContact O-N 2.95Å; I325-L328 PolarHBondContact O-N 3.27Å; L328-Y331 PolarHBondContact O-N 3.06Å; L328-Q332 PolarHBondContact O-N 2.91Å |
| 329 | R | 91.4 | Very high | 79.2 | Confident | 111 Ų | 111 | 78.9 Ų | 78.9 | 42% | 0.419 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.6 | -50.6 | 177.6 | -150.6 | -179.2 | -73.7 | 154.6 | -8.2 | 110.8 | L298 D299 I325 E326 Y331 Q332 D333 | L298-R329 HydrophobicContact CD1-CB 4.08Å; L298-R329 HydrophobicContact CD1-CG 4.43Å; D299-R329 IonicContact OD1-NH2 2.69Å; D299-R329 PolarHBondContact OD1-NH2 3.44Å; D299-R329 IonicContact OD2-CZ 2.82Å; D299-R329 IonicContact OD2-NH2 3.18Å; D299-R329 PolarHBondContact OD2-NH2 3.09Å; I325-R329 VanDerWaalsContact CG2-NH2 3.29Å; I325-R329 WeakPolarHBondContact O-CB 3.47Å; I325-R329 PolarHBondContact O-N 2.78Å; E326-R329 PolarHBondContact O-N 3.42Å; R329-Y331 PolarHBondContact O-N 2.62Å; R329-Q332 WeakPolarHBondContact O-CB 3.46Å; R329-Q332 PolarHBondContact O-N 3.41Å; R329-D333 PolarHBondContact O-N 3.46Å |
| 330 | A | 88.9 | Confident | 76.4 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -21.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E326 Q334 | E326-A330 VanDerWaalsContact O-CB 3.3Å; E326-A330 WeakPolarHBondContact O-CB 3.28Å; E326-A330 PolarHBondContact O-N 3.03Å; A330-Q334 WeakPolarHBondContact O-CG 3.37Å; A330-Q334 PolarHBondContact O-NE2 3.06Å |
| 331 | Y | 86 | Confident | 73.5 | Confident | 55 Ų | 55 | 81.8 Ų | 81.8 | 22% | 0.216 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -81.3 | -36.8 | 169.7 | -172.8 | -103.9 | 0 | 0 | 0 | 111.8 | R313 L315 R327 L328 R329 Q334 I335 | R313-Y331 HydrophobicContact CB-CD1 4.2Å; R313-Y331 HydrophobicContact CB-CE1 3.71Å; R313-Y331 HydrophobicContact CG-CD1 4.04Å; R313-Y331 HydrophobicContact CG-CE1 3.51Å; L315-Y331 HydrophobicContact CD1-CD1 4.23Å; L315-Y331 HydrophobicContact CD1-CD2 3.89Å; L315-Y331 HydrophobicContact CD1-CG 3.71Å; L315-Y331 HydrophobicContact CD2-CD2 4.02Å; L315-Y331 HydrophobicContact CG-CD2 4.3Å; R327-Y331 VanDerWaalsContact O-CB 3.3Å; R327-Y331 WeakPolarHBondContact O-CB 3.42Å; R327-Y331 PolarHBondContact O-N 3.18Å; R327-Y331 VanDerWaalsContact O-N 3.09Å; L328-Y331 PolarHBondContact O-N 3.06Å; R329-Y331 PolarHBondContact O-N 2.62Å; Y331-Q334 PolarHBondContact O-N 2.82Å; Y331-I335 HydrophobicContact CD1-CD1 3.44Å; Y331-I335 VanDerWaalsContact CD1-CD1 3.44Å; Y331-I335 HydrophobicContact CD2-CD1 4.46Å; Y331-I335 HydrophobicContact CE1-CD1 3.26Å; Y331-I335 HydrophobicContact CE2-CD1 4.31Å; Y331-I335 HydrophobicContact CG-CD1 4.08Å; Y331-I335 VanDerWaalsContact O-CD1 3.25Å; Y331-I335 WeakPolarHBondContact O-CD1 3.32Å; Y331-I335 VanDerWaalsContact O-CG1 3.3Å; Y331-I335 WeakPolarHBondContact O-CG1 3.39Å |
| 332 | Q | 86 | Confident | 71.4 | Confident | 62 Ų | 62 | 84 Ų | 84 | 29% | 0.29 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.5 | -169.3 | 153.2 | 27.7 | 0 | 0 | 112.1 | L294 L328 R329 Q334 I335 | L294-Q332 HydrophobicContact CD1-CB 4.12Å; L294-Q332 PolarHBondContact O-NE2 3.26Å; L328-Q332 PolarHBondContact O-N 2.91Å; R329-Q332 WeakPolarHBondContact O-CB 3.46Å; R329-Q332 PolarHBondContact O-N 3.41Å; Q332-Q334 PolarHBondContact O-N 3.32Å; Q332-I335 PolarHBondContact O-N 3.43Å |
| 333 | D | 78.4 | Confident | 68.2 | Low | 119 Ų | 119 | 88.8 Ų | 88.8 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.5 | -32.1 | 178.9 | -66 | -30.9 | 0 | 0 | 0 | 112.1 | R329 I335 | R329-D333 PolarHBondContact O-N 3.46Å; D333-I335 VanDerWaalsContact C-N 3.32Å; D333-I335 PolarHBondContact O-N 2.94Å |
| 334 | Q | 69.1 | Low | 65.1 | Low | 161 Ų | 161 | 89.3 Ų | 89.3 | 75% | 0.752 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.8 | 176.8 | -74.1 | 177.7 | 90.5 | 0 | 0 | 114.6 | A330 Y331 Q332 | A330-Q334 WeakPolarHBondContact O-CG 3.37Å; A330-Q334 PolarHBondContact O-NE2 3.06Å; Y331-Q334 PolarHBondContact O-N 2.82Å; Q332-Q334 PolarHBondContact O-N 3.32Å |
| 335 | I | 66.6 | Low | 62.4 | Low | 96 Ų | 96 | 95 Ų | 95 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116 | 18.2 | -178.6 | -47.5 | 157.2 | 0 | 0 | 0 | 111 | Y331 Q332 D333 P337 | Y331-I335 HydrophobicContact CD1-CD1 3.44Å; Y331-I335 VanDerWaalsContact CD1-CD1 3.44Å; Y331-I335 HydrophobicContact CD2-CD1 4.46Å; Y331-I335 HydrophobicContact CE1-CD1 3.26Å; Y331-I335 HydrophobicContact CE2-CD1 4.31Å; Y331-I335 HydrophobicContact CG-CD1 4.08Å; Y331-I335 VanDerWaalsContact O-CD1 3.25Å; Y331-I335 WeakPolarHBondContact O-CD1 3.32Å; Y331-I335 VanDerWaalsContact O-CG1 3.3Å; Y331-I335 WeakPolarHBondContact O-CG1 3.39Å; Q332-I335 PolarHBondContact O-N 3.43Å; D333-I335 VanDerWaalsContact C-N 3.32Å; D333-I335 PolarHBondContact O-N 2.94Å; I335-P337 VanDerWaalsContact C-CD 3.48Å; I335-P337 WeakPolarHBondContact O-CD 3.49Å |
| 336 | S | 42.7 | Very low | 59.1 | Low | 88 Ų | 88 | 99 Ų | 99 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | trans | -107.1 | 86.6 | 177.8 | -167 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 337 | P | 40.7 | Very low | 56 | Low | 115 Ų | 115 | 97.1 Ų | 97.1 | 75% | 0.747 | 60% | 0.598 | S | S | * | * | trans | -84.5 | 118 | 175.7 | 32.6 | -33.6 | 0 | 0 | 0 | 111.6 | I335 | I335-P337 VanDerWaalsContact C-CD 3.48Å; I335-P337 WeakPolarHBondContact O-CD 3.49Å | ||
| 338 | V | 29.6 | Very low | 53.1 | Low | 135 Ų | 135 | 100.8 Ų | 100.8 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | trans | -130.1 | 109.4 | 162.7 | -178 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 339 | P | 42.4 | Very low | 49.9 | Very low | 123 Ų | 123 | 105.4 Ų | 105.4 | 80% | 0.799 | 66% | 0.659 | S | S | * | * | trans | -89.6 | 145.1 | 175.2 | 34.4 | -32.4 | 0 | 0 | 0 | 111.9 | ||||
| 340 | G | 33.1 | Very low | 47.1 | Very low | 80 Ų | 80 | 107.8 Ų | 107.8 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | trans | 121.8 | 116.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 341 | A | 34 | Very low | 44.2 | Very low | 98 Ų | 98 | 111.2 Ų | 111.2 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | trans | -91.8 | 173.4 | 161 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 342 | P | 48.9 | Very low | 41.3 | Very low | 120 Ų | 120 | 116.4 Ų | 116.4 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | cis | -139.5 | -164.8 | 10.3 | 41.8 | -22.1 | 0 | 0 | 0 | 115.4 | ||||
| 343 | K | 28.9 | Very low | 38.6 | Very low | 199 Ų | 199 | 123.3 Ų | 123.3 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | trans | 93.9 | 116.3 | 150.4 | -162.1 | 171.3 | -177.9 | -178.1 | 0 | 118.8 | ||||
| 344 | A | 29.6 | Very low | 36.3 | Very low | 84 Ų | 84 | 122.1 Ų | 122.1 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | trans | -81.3 | 165.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 345 | P | 37.2 | Very low | 34.3 | Very low | 119 Ų | 119 | 118 Ų | 118 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | cis | -145.6 | -166.3 | 31.4 | 44.6 | -24.4 | 0 | 0 | 0 | 116.5 | ||||
| 346 | A | 26.6 | Very low | 32.3 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 66.9 | 129.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 347 | A | 29.3 | Very low | 31.6 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | 59.3 | 125.1 | 67.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 348 | T | 33.5 | Very low | 31 | Very low | 131 Ų | 131 | 124 Ų | 124 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | -174.3 | 158.5 | 73.5 | 37 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 349 | S | 25.4 | Very low | 30.9 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | 70.3 | 166 | 152 | -134 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 350 | I | 32.3 | Very low | 30.2 | Very low | 161 Ų | 161 | 121.3 Ų | 121.3 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | cis | -146.6 | 157.2 | 20.7 | -57.2 | 172.2 | 0 | 0 | 0 | 109.5 | ||||
| 351 | L | 27.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 62% | 0.618 | 77% | 0.767 | S | S | * | * | cis | -175.4 | 143.8 | -38.2 | -172.8 | 60.1 | 0 | 0 | 0 | 109.9 | ||||
| 352 | H | 26.8 | Very low | 30.2 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 36.1 | 131.9 | 161.6 | -62.4 | 160.6 | 0 | 0 | 0 | 123.5 | ||||
| 353 | K | 28.1 | Very low | 29.1 | Very low | 207 Ų | 207 | 127.9 Ų | 127.9 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | -154.3 | 155.9 | 121.1 | -153.3 | 63.2 | 177.1 | 179.4 | 0 | 112.4 | |||||
| 354 | A | 29.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -153.6 | 155.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 355 | G | 28.6 | Very low | 29.1 | Very low | 75 Ų | 75 | 129.4 Ų | 129.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 73.3 | 162 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 356 | E | 24.3 | Very low | 28.8 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | cis | -167.8 | -179.9 | -14 | -152.9 | -163.7 | 106 | 0 | 0 | 109.5 | ||||
| 357 | V | 28.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | 77.7 | 113.5 | 164.9 | -162.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 358 | V | 27.1 | Very low | 28.9 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | -176.1 | 95.6 | 114.2 | 158.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 359 | V | 27.7 | Very low | 28.7 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 35.2 | 120.9 | 130.5 | -174.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 360 | A | 27.8 | Very low | 29.5 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | trans | 90.1 | 109.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 361 | F | 26.3 | Very low | 29.1 | Very low | 206 Ų | 206 | 127.9 Ų | 127.9 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | 60.5 | 161.6 | 126.5 | -69 | -61.6 | 0 | 0 | 0 | 123.2 | |||||
| 362 | P | 40.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | cis | -124.1 | -166 | -12.4 | 35.9 | -16.7 | 0 | 0 | 0 | 114 | ||||
| 363 | A | 25.9 | Very low | 29.4 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -140.7 | 162.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 364 | A | 28.4 | Very low | 29.3 | Very low | 89 Ų | 89 | 123 Ų | 123 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -149.4 | 134.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 365 | R | 30.9 | Very low | 29.2 | Very low | 227 Ų | 227 | 123.5 Ų | 123.5 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | 73.2 | 136.8 | 55.2 | -72.3 | -166.1 | 164.3 | -151.4 | -3 | 112.6 | |||||
| 366 | L | 29.9 | Very low | 29.2 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | cis | -164.7 | 154.8 | 11.8 | -129.6 | 172.1 | 0 | 0 | 0 | 113.8 | ||||
| 367 | S | 26.8 | Very low | 29.5 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | 110.6 | 130.4 | 129.7 | -148.7 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 368 | T | 32.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 126.9 | 144.7 | 27.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 369 | G | 28.5 | Very low | 30.3 | Very low | 68 Ų | 68 | 118.1 Ų | 118.1 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -98.2 | -135.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 370 | P | 42.4 | Very low | 30.5 | Very low | 139 Ų | 139 | 115.3 Ų | 115.3 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | cis | -126.7 | -158 | 20 | 43.1 | -27.1 | 0 | 0 | 0 | 114.4 | ||||
| 371 | A | 25.4 | Very low | 30.7 | Very low | 85 Ų | 85 | 117.4 Ų | 117.4 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | trans | -109.7 | -172.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 372 | L | 28.1 | Very low | 30.7 | Very low | 153 Ų | 153 | 111.9 Ų | 111.9 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | trans | 151.1 | 147.7 | 130 | -78.3 | 177.2 | 0 | 0 | 0 | 114.3 | ||||
| 373 | V | 30.3 | Very low | 30.1 | Very low | 139 Ų | 139 | 112 Ų | 112 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | 56.4 | 158.5 | 156.2 | -64.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 374 | A | 27.1 | Very low | 30 | Very low | 96 Ų | 96 | 113 Ų | 113 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | cis | -166.4 | -171 | -28.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 375 | A | 28 | Very low | 29.9 | Very low | 105 Ų | 105 | 112.9 Ų | 112.9 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | trans | -63.1 | 169.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 376 | G | 27 | Very low | 29.8 | Very low | 66 Ų | 66 | 107.9 Ų | 107.9 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | cis | 157.5 | -163 | 1.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 377 | L | 31.2 | Very low | 29.8 | Very low | 171 Ų | 171 | 107.9 Ų | 107.9 | 90% | 0.895 | 73% | 0.725 | S | S | * | * | trans | 67.2 | 121.8 | 168.7 | -58.7 | 179.7 | 0 | 0 | 0 | 119.9 | ||||
| 378 | A | 29 | Very low | 30 | Very low | 86 Ų | 86 | 108.1 Ų | 108.1 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | 47.3 | 160.5 | 111.1 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 379 | P | 42.7 | Very low | 29.9 | Very low | 63 Ų | 63 | 106.7 Ų | 106.7 | 41% | 0.409 | 73% | 0.727 | S | S | . | * | trans | -138.6 | -159.1 | -155.2 | 27.3 | -0.1 | 0 | 0 | 0 | 118.5 | P149 L150 L151 | P149-P379 CarbonylContact O-C 3.42Å; P149-P379 WeakPolarHBondContact O-CA 3.41Å; P149-P379 WeakPolarHBondContact O-CB 3.47Å; P149-P379 WeakPolarHBondContact O-CD 3.44Å; P149-P379 WeakPolarHBondContact O-CG 3.27Å; L150-P379 VanDerWaalsContact C-CB 3.46Å; L151-P379 WeakPolarHBondContact O-CB 3.37Å | ||
| 380 | A | 33.3 | Very low | 30.1 | Very low | 68 Ų | 68 | 109.3 Ų | 109.3 | 56% | 0.562 | 74% | 0.735 | S | S | * | * | trans | -175.3 | 165.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P149 L150 L151 | P149-A380 WeakPolarHBondContact O-CA 3.31Å; P149-A380 PolarHBondContact O-N 2.89Å; L150-A380 CarbonylContact O-C 2.79Å; L150-A380 WeakPolarHBondContact O-CA 3.28Å; L150-A380 PolarHBondContact O-N 2.87Å; L150-A380 VanDerWaalsContact O-N 3.14Å; L151-A380 PolarHBondContact O-N 2.98Å | ||
| 381 | E | 31 | Very low | 29.7 | Very low | 118 Ų | 118 | 106.2 Ų | 106.2 | 55% | 0.551 | 73% | 0.728 | S | S | * | * | -131 | -157.1 | -87.5 | -148.3 | -134 | 154 | 0 | 0 | 112.2 | P149 L150 | P149-E381 HydrophobicContact CB-CG 4.39Å; P149-E381 HydrophobicContact CG-CB 4.23Å; P149-E381 HydrophobicContact CG-CG 4.29Å; L150-E381 HydrophobicContact CB-CG 4.17Å; L150-E381 VanDerWaalsContact O-CA 3.24Å; L150-E381 WeakPolarHBondContact O-CA 3.4Å; L150-E381 PolarHBondContact O-N 3.42Å | |||
| 382 | V | 26.9 | Very low | 30 | Very low | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | trans | -71.8 | 160.1 | -168.2 | 178.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 383 | V | 26.6 | Very low | 30.5 | Very low | 127 Ų | 127 | 109 Ų | 109 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 158.8 | 117.1 | 127.1 | 166.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 384 | V | 25 | Very low | 30.7 | Very low | 126 Ų | 126 | 112 Ų | 112 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 19.7 | 133.4 | 140.2 | -170.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 385 | A | 26.1 | Very low | 31 | Very low | 86 Ų | 86 | 117 Ų | 117 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | 170.5 | 149.4 | 131.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 386 | T | 28.8 | Very low | 31.3 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | cis | -161.1 | 132.7 | -17.2 | 23.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 387 | V | 28.7 | Very low | 31.8 | Very low | 137 Ų | 137 | 117.4 Ų | 117.4 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | trans | 39.9 | 127.9 | 139.9 | -177.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 388 | A | 31 | Very low | 31.9 | Very low | 93 Ų | 93 | 116.5 Ų | 116.5 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -149.5 | 122.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 389 | S | 31.4 | Very low | 32.1 | Very low | 103 Ų | 103 | 116 Ų | 116 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | 39.5 | 107.3 | 162.5 | 60.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 390 | S | 32.6 | Very low | 31.5 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 51.1 | 107.4 | 134 | 62.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 391 | G | 33.4 | Very low | 31.7 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | 113.4 | 48.5 | 77.1 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 392 | V | 31 | Very low | 32.4 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -153.2 | 132.9 | 138 | -95.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 393 | V | 39.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -99.8 | 127.5 | 175.9 | -70.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 394 | K | 34.5 | Very low | 33.8 | Very low | 203 Ų | 203 | 123 Ų | 123 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -146.9 | 126.5 | 166.1 | -170.2 | 163.9 | -176.8 | 173.6 | 0 | 109.6 | ||||
| 395 | F | 32.5 | Very low | 34 | Very low | 200 Ų | 200 | 121.5 Ų | 121.5 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 153.6 | 176.2 | -77.8 | -96.4 | 0 | 0 | 0 | 111.2 | ||||
| 396 | G | 35.3 | Very low | 34.6 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -67.5 | 141.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 397 | S | 37.7 | Very low | 34.7 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -166.3 | 152.8 | 165.4 | -81.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 398 | T | 33.8 | Very low | 34.9 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | 66.1 | 144.9 | -176.1 | 75.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 399 | G | 32.3 | Very low | 34.9 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | cis | 154.5 | 142.1 | -10.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 400 | S | 30.2 | Very low | 35 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -158.6 | 120.9 | 162.7 | -167.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 401 | T | 37.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 2.4 | 128.6 | 141.6 | 8.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 402 | P | 45.1 | Very low | 34.7 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | trans | -86.1 | 151.6 | 144 | 35.2 | -31.1 | 0 | 0 | 0 | 111.7 | ||||
| 403 | P | 51.8 | Low | 35 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | trans | -87.9 | 176.2 | -179.1 | 35.4 | -36.4 | 0 | 0 | 0 | 115 | ||||
| 404 | V | 31.5 | Very low | 34.6 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 157.6 | -171.8 | 176.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 405 | S | 30.1 | Very low | 34.3 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 158.8 | 179.7 | 48.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 406 | P | 37.7 | Very low | 34.7 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 146.9 | 155.3 | 34.6 | -31.4 | 0 | 0 | 0 | 111.3 | ||
| 407 | T | 31.1 | Very low | 34.6 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 153.4 | 178.5 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 408 | P | 32.8 | Very low | 34.5 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 128.6 | 145.5 | 33.3 | -26.4 | 0 | 0 | 0 | 109.2 | ||
| 409 | S | 31.2 | Very low | 35.3 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 137.5 | 172 | -172 | 0 | 0 | 0 | 0 | 110.4 | ||
| 410 | E | 33.5 | Very low | 35.4 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 143.8 | 175.1 | -57.8 | 172.9 | 95.4 | 0 | 0 | 112.1 | ||
| 411 | R | 35.3 | Very low | 35.7 | Very low | 234 Ų | 234 | 134.6 Ų | 134.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | 176.5 | 127.4 | 122.7 | -102.4 | 177.8 | 175.1 | 165.4 | -0 | 112.7 | |||||
| 412 | S | 25.8 | Very low | 35.9 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | -155.4 | 163.8 | 97.6 | -158.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 413 | L | 36.7 | Very low | 36.2 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | trans | -131.9 | 165.2 | -174.7 | -66.7 | 171.4 | 0 | 0 | 0 | 110.8 | ||||
| 414 | L | 31.3 | Very low | 35.2 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | 74.1 | 119.8 | 164.9 | -45.1 | -178.4 | 0 | 0 | 0 | 117.4 | ||||
| 415 | S | 28.5 | Very low | 35.4 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -148.2 | 155.8 | 137.8 | -166.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 416 | T | 39.6 | Very low | 36.4 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -139.3 | 136.4 | -173.9 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 417 | G | 34.5 | Very low | 36.5 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | 84.2 | 163.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 418 | D | 34 | Very low | 37.2 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | cis | -140.5 | -170.9 | 2.5 | 69.1 | -64.9 | 0 | 0 | 0 | 112.4 | ||||
| 419 | E | 50.4 | Low | 37.4 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -108.1 | 126.1 | -178.5 | -61.1 | -175.4 | 92.5 | 0 | 0 | 111.7 | ||||
| 420 | N | 35.9 | Very low | 38.3 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -172.7 | 159.9 | 134 | 68.7 | 104.5 | 0 | 0 | 0 | 114.8 | ||||
| 421 | S | 36.5 | Very low | 38.4 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 67.1 | 120.2 | 148.6 | -52.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 422 | T | 40.4 | Very low | 38.4 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -80.3 | -171.9 | 157.6 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 423 | P | 51.1 | Low | 38.5 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | cis | -131.3 | -172.8 | -20.8 | 25.9 | -1.9 | 0 | 0 | 0 | 113.7 | ||||
| 424 | G | 31.2 | Very low | 38.6 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 133.7 | 89.6 | 163 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 425 | D | 36.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | 69.7 | 116.6 | 86.9 | -165.3 | 16 | 0 | 0 | 0 | 115 | |||||
| 426 | T | 50 | Low | 39 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -155.2 | 123.5 | 166.9 | -61.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 427 | F | 40.2 | Very low | 39 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -75.4 | 143.6 | 179.2 | -81.2 | -127.4 | 0 | 0 | 0 | 111.3 | ||||
| 428 | G | 46.9 | Very low | 38.9 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -155.1 | 65 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M430 | G428-M430 PolarHBondContact O-N 2.96Š| ||
| 429 | E | 36 | Very low | 38.8 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -67.9 | 111.9 | -177 | -174.5 | 175.9 | -179.4 | 0 | 0 | 112 | V431 | E429-V431 HydrophobicContact CG-CG2 4.19Š| ||
| 430 | M | 49.6 | Very low | 37.7 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -114.8 | 111.3 | 170.8 | -71.9 | -160.8 | -64.7 | 0 | 0 | 111 | G428 | G428-M430 PolarHBondContact O-N 2.96Š| ||
| 431 | V | 35.9 | Very low | 37.8 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -98.2 | 113.5 | 175.3 | -158.5 | 0 | 0 | 0 | 0 | 109.4 | E429 | E429-V431 HydrophobicContact CG-CG2 4.19Š| ||
| 432 | T | 35.3 | Very low | 37.4 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -140.7 | 118.4 | 170.9 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 433 | S | 29.2 | Very low | 37.1 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.3 | -179.4 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 434 | P | 36.9 | Very low | 36.4 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 133.2 | 171.6 | 31.4 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 435 | L | 31.8 | Very low | 36.6 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 147.9 | 167.5 | -177.5 | 61.1 | 0 | 0 | 0 | 110.2 | ||
| 436 | T | 38.3 | Very low | 36.8 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 139.1 | -174 | 37.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 437 | Q | 37.7 | Very low | 36 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 177.7 | 130 | 130.8 | -96 | 159.1 | 107.6 | 0 | 0 | 110.2 | ||||
| 438 | L | 33.5 | Very low | 35.8 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | 63.6 | 128.4 | 86 | -65 | -167.9 | 0 | 0 | 0 | 113.1 | |||||
| 439 | T | 30.9 | Very low | 34.9 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -164.1 | 157.3 | -0.1 | -63 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 440 | L | 28.5 | Very low | 35.4 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 150.4 | 122.3 | 132.7 | -78.6 | 169.7 | 0 | 0 | 0 | 116.7 | ||||
| 441 | Q | 37.8 | Very low | 34.8 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -22.2 | 139.9 | 153.5 | -76.5 | -80.4 | 0.2 | 0 | 0 | 120 | ||||
| 442 | A | 28.8 | Very low | 34.8 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | -160.1 | 152.6 | 123.6 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 443 | S | 32.9 | Very low | 34.9 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | -103.3 | 163.4 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 444 | P | 36.5 | Very low | 35.9 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -135.8 | 157.9 | 109.8 | 36.3 | -26.3 | 0 | 0 | 0 | 114.5 | |||||
| 445 | L | 35.5 | Very low | 35.8 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -131.5 | 163.7 | 170 | -77.1 | 173 | 0 | 0 | 0 | 109 | ||||
| 446 | Q | 41.5 | Very low | 36.1 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | 75.6 | 151.6 | 161.6 | -47.2 | -45.1 | 47 | 0 | 0 | 119.4 | ||||
| 447 | I | 33 | Very low | 35.9 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -165.9 | 153 | -37.7 | -142.2 | 169.1 | 0 | 0 | 0 | 110.6 | ||||
| 448 | L | 35.6 | Very low | 36.5 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | 44 | 118.6 | 148.8 | -168.6 | 96.5 | 0 | 0 | 0 | 122.4 | ||||
| 449 | V | 28.5 | Very low | 36.3 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 92% | 0.915 | 80% | 0.795 | S | S | * | * | trans | -140.6 | 161.6 | 130.7 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 450 | K | 45.2 | Very low | 36.3 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | trans | -150.7 | 123.5 | -170.6 | 167.6 | -157.1 | 163.3 | -170.5 | 0 | 112.8 | ||||
| 451 | E | 37.8 | Very low | 37 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -160.2 | 126.9 | 153.4 | -106.8 | 180 | 91.7 | 0 | 0 | 107.3 | ||||
| 452 | E | 35.3 | Very low | 37.2 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | 71.6 | 125.9 | 82.4 | -157.9 | 177.9 | 145.6 | 0 | 0 | 115.9 | |||||
| 453 | G | 37.3 | Very low | 38 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 162.5 | 113.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 454 | P | 50.2 | Low | 38.1 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -108.3 | 153 | -163.9 | 38.1 | -34.7 | 0 | 0 | 0 | 116 | ||||
| 455 | R | 34.5 | Very low | 38.7 | Very low | 256 Ų | 256 | 133.6 Ų | 133.6 | 97% | 0.966 | 81% | 0.806 | S | S | * | * | trans | -157.3 | 156.5 | 133.8 | -81 | -136.7 | 171.4 | 170.6 | 1.1 | 111.3 | ||||
| 456 | A | 39 | Very low | 39.2 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -105.9 | 149.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 457 | G | 34.3 | Very low | 39.6 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -154.8 | 141.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 458 | S | 50.6 | Low | 40.2 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -122.1 | 169.1 | -171.9 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 459 | C | 29.1 | Very low | 40.9 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | 72.3 | 142.1 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 460 | C | 31.3 | Very low | 42 | Very low | 121 Ų | 121 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | -155 | -175.9 | 6.8 | -126.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 461 | L | 43.3 | Very low | 42.4 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -67.9 | 164.2 | -170.3 | -62.1 | 174.4 | 0 | 0 | 0 | 116.2 | ||||
| 462 | S | 40.3 | Very low | 43.4 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -147.7 | -66.8 | 3.4 | -133.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 463 | P | 46.9 | Very low | 45.1 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -120.8 | 133.3 | -140.8 | 36.4 | -22.6 | 0 | 0 | 0 | 117 | ||||
| 464 | G | 34.9 | Very low | 46.8 | Very low | 70 Ų | 70 | 122.7 Ų | 122.7 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | -160 | 22.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | R466 | G464-R466 VanDerWaalsContact C-N 3.34Å; G464-R466 PolarHBondContact O-N 3.37Å | ||
| 465 | G | 48.2 | Very low | 48.6 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 67.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 466 | R | 47.3 | Very low | 51.3 | Low | 240 Ų | 240 | 116.4 Ų | 116.4 | 91% | 0.906 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.4 | -7 | 164.9 | -98.8 | -156.9 | 168.8 | -144.7 | -7.2 | 117.5 | G464 | G464-R466 VanDerWaalsContact C-N 3.34Å; G464-R466 PolarHBondContact O-N 3.37Å |
| 467 | A | 48.7 | Very low | 53.8 | Low | 83 Ų | 83 | 116 Ų | 116 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -87.4 | -23 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 468 | E | 45.5 | Very low | 56.6 | Low | 128 Ų | 128 | 116.7 Ų | 116.7 | 60% | 0.598 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -72.1 | -35 | -166.3 | -160.1 | -171.6 | 122.4 | 0 | 0 | 114.1 | E470 G471 R472 | E468-E470 PolarHBondContact O-N 2.81Å; E468-G471 PolarHBondContact O-N 3.26Å; E468-G471 VanDerWaalsContact O-N 3.17Å; E468-R472 PolarHBondContact O-N 2.75Å; E468-R472 IonicContact OE1-CZ 3.73Å; E468-R472 IonicContact OE1-NE 3.05Å; E468-R472 PolarHBondContact OE1-NE 3.35Å; E468-R472 IonicContact OE1-NH2 3.59Å; E468-R472 PolarHBondContact OE1-NH2 2.95Å |
| 469 | L | 50.9 | Low | 58.6 | Low | 149 Ų | 149 | 117.9 Ų | 117.9 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.9 | -41.2 | -174.1 | -161.6 | 74.6 | 0 | 0 | 0 | 112.2 | G471 R472 D473 | L469-G471 PolarHBondContact O-N 3.23Å; L469-R472 PolarHBondContact O-N 3.15Å; L469-D473 PolarHBondContact O-N 2.86Å |
| 470 | E | 51.4 | Low | 61.7 | Low | 132 Ų | 132 | 116.6 Ų | 116.6 | 62% | 0.617 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.7 | -8.6 | 179.6 | -145.3 | -161.9 | 116.9 | 0 | 0 | 112.9 | E468 K474 | E468-E470 PolarHBondContact O-N 2.81Å; E470-K474 WeakPolarHBondContact O-CG 3.3Å; E470-K474 PolarHBondContact O-NZ 3.15Å; E470-K474 IonicContact OE1-NZ 3.88Å; E470-K474 PolarHBondContact OE1-NZ 2.74Å |
| 471 | G | 54.7 | Low | 64.7 | Low | 40 Ų | 40 | 115.7 Ų | 115.7 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -79.5 | -50 | 167 | 0 | 0 | 0 | 0 | 0 | 111.1 | E468 L469 D473 K474 D475 | E468-G471 PolarHBondContact O-N 3.26Å; E468-G471 VanDerWaalsContact O-N 3.17Å; L469-G471 PolarHBondContact O-N 3.23Å; G471-D473 VanDerWaalsContact C-N 3.33Å; G471-D473 PolarHBondContact O-N 3.34Å; G471-K474 PolarHBondContact O-N 2.96Å; G471-K474 VanDerWaalsContact O-N 3.14Å; G471-D475 PolarHBondContact O-N 3.1Å |
| 472 | R | 58.1 | Low | 67.1 | Low | 157 Ų | 157 | 112.3 Ų | 112.3 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.3 | -39 | -179.5 | -67.3 | 176.8 | 178.4 | -82.2 | 2.9 | 113.1 | E468 L469 D475 Q476 | E468-R472 PolarHBondContact O-N 2.75Å; E468-R472 IonicContact OE1-CZ 3.73Å; E468-R472 IonicContact OE1-NE 3.05Å; E468-R472 PolarHBondContact OE1-NE 3.35Å; E468-R472 IonicContact OE1-NH2 3.59Å; E468-R472 PolarHBondContact OE1-NH2 2.95Å; L469-R472 PolarHBondContact O-N 3.15Å; R472-D475 PolarHBondContact O-N 2.9Å; R472-Q476 VanDerWaalsContact O-CB 3.3Å; R472-Q476 WeakPolarHBondContact O-CB 3.48Å; R472-Q476 PolarHBondContact O-N 3.09Å |
| 473 | D | 70.4 | Confident | 69.8 | Low | 84 Ų | 84 | 112.9 Ų | 112.9 | 45% | 0.449 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.4 | -42.4 | 175.1 | 175.6 | 75.5 | 0 | 0 | 0 | 112.8 | L469 G471 M477 | L469-D473 PolarHBondContact O-N 2.86Å; G471-D473 VanDerWaalsContact C-N 3.33Å; G471-D473 PolarHBondContact O-N 3.34Å; D473-M477 WeakPolarHBondContact O-CB 3.18Å; D473-M477 PolarHBondContact O-N 2.91Å; D473-M477 WeakPolarHBondContact OD2-CE 3.39Å |
| 474 | K | 73.9 | Confident | 72.2 | Confident | 104 Ų | 104 | 111.5 Ų | 111.5 | 45% | 0.452 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.4 | -36.6 | 178.2 | -63.8 | -174.8 | -168.5 | 87.4 | 0 | 112.6 | E470 G471 M477 L478 | E470-K474 WeakPolarHBondContact O-CG 3.3Å; E470-K474 PolarHBondContact O-NZ 3.15Å; E470-K474 IonicContact OE1-NZ 3.88Å; E470-K474 PolarHBondContact OE1-NZ 2.74Å; G471-K474 PolarHBondContact O-N 2.96Å; G471-K474 VanDerWaalsContact O-N 3.14Å; K474-M477 HydrophobicContact CG-CE 4.22Å; K474-M477 PolarHBondContact O-N 3.21Å; K474-L478 WeakPolarHBondContact O-CB 3.47Å; K474-L478 PolarHBondContact O-N 3.12Å |
| 475 | D | 86.4 | Confident | 75.1 | Confident | 110 Ų | 110 | 112.7 Ų | 112.7 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.3 | -42.7 | 174.4 | -164.1 | 53.3 | 0 | 0 | 0 | 111.1 | G471 R472 L478 Q479 | G471-D475 PolarHBondContact O-N 3.1Å; R472-D475 PolarHBondContact O-N 2.9Å; D475-L478 WeakPolarHBondContact O-CB 3.45Å; D475-L478 PolarHBondContact O-N 3.46Å; D475-Q479 WeakPolarHBondContact O-CB 3.42Å; D475-Q479 PolarHBondContact O-N 2.95Å |
| 476 | Q | 91.8 | Very high | 77.4 | Confident | 130 Ų | 130 | 113.6 Ų | 113.6 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.5 | -40.4 | 173.7 | -172.4 | 170.3 | 42.9 | 0 | 0 | 112.5 | R472 L478 Q479 E480 | R472-Q476 VanDerWaalsContact O-CB 3.3Å; R472-Q476 WeakPolarHBondContact O-CB 3.48Å; R472-Q476 PolarHBondContact O-N 3.09Å; Q476-L478 VanDerWaalsContact C-N 3.34Å; Q476-Q479 PolarHBondContact O-N 3.43Å; Q476-E480 PolarHBondContact O-N 3.32Å |
| 477 | M | 91.7 | Very high | 79.8 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 51% | 0.507 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 171.8 | -83.2 | -168.7 | -73.3 | 0 | 0 | 112.5 | D473 K474 E480 K481 | D473-M477 WeakPolarHBondContact O-CB 3.18Å; D473-M477 PolarHBondContact O-N 2.91Å; D473-M477 WeakPolarHBondContact OD2-CE 3.39Å; K474-M477 HydrophobicContact CG-CE 4.22Å; K474-M477 PolarHBondContact O-N 3.21Å; M477-E480 PolarHBondContact O-N 2.96Å; M477-K481 WeakPolarHBondContact O-CG 3.19Å; M477-K481 PolarHBondContact O-N 2.91Å |
| 478 | L | 93.1 | Very high | 82.1 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -49.4 | 174.9 | 179.4 | 60.4 | 0 | 0 | 0 | 110.6 | K474 D475 Q476 E480 K481 D482 | K474-L478 WeakPolarHBondContact O-CB 3.47Å; K474-L478 PolarHBondContact O-N 3.12Å; D475-L478 WeakPolarHBondContact O-CB 3.45Å; D475-L478 PolarHBondContact O-N 3.46Å; Q476-L478 VanDerWaalsContact C-N 3.34Å; L478-E480 VanDerWaalsContact C-N 3.3Å; L478-E480 PolarHBondContact O-N 2.92Å; L478-K481 CarbonylContact O-C 2.77Å; L478-K481 WeakPolarHBondContact O-CA 3.44Å; L478-K481 WeakPolarHBondContact O-CB 3.32Å; L478-K481 PolarHBondContact O-N 3.31Å; L478-D482 PolarHBondContact O-N 2.92Å |
| 479 | Q | 92.5 | Very high | 84.5 | Confident | 139 Ų | 139 | 101.9 Ų | 101.9 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.4 | -40.3 | 177.3 | -168.9 | 178.3 | 46.7 | 0 | 0 | 112.5 | D475 Q476 D482 K483 | D475-Q479 WeakPolarHBondContact O-CB 3.42Å; D475-Q479 PolarHBondContact O-N 2.95Å; Q476-Q479 PolarHBondContact O-N 3.43Å; Q479-D482 PolarHBondContact O-N 2.9Å; Q479-K483 VanDerWaalsContact O-CB 3.23Å; Q479-K483 WeakPolarHBondContact O-CB 3.34Å; Q479-K483 PolarHBondContact O-N 3.28Å |
| 480 | E | 93.6 | Very high | 86.7 | Confident | 89 Ų | 89 | 100.4 Ų | 100.4 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74 | -29.1 | 175.7 | -167 | 59.7 | -138.4 | 0 | 0 | 112.5 | Q476 M477 L478 K483 Q484 | Q476-E480 PolarHBondContact O-N 3.32Å; M477-E480 PolarHBondContact O-N 2.96Å; L478-E480 VanDerWaalsContact C-N 3.3Å; L478-E480 PolarHBondContact O-N 2.92Å; E480-K483 IonicContact OE1-NZ 3.95Å; E480-K483 PolarHBondContact OE1-NZ 2.78Å; E480-K483 IonicContact OE2-NZ 3.15Å; E480-K483 PolarHBondContact OE2-NZ 2.91Å; E480-Q484 WeakPolarHBondContact O-CB 3.45Å; E480-Q484 PolarHBondContact O-N 3.4Å |
| 481 | K | 94.8 | Very high | 88.9 | Confident | 102 Ų | 102 | 98.5 Ų | 98.5 | 44% | 0.443 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 168.9 | -67.7 | -80 | 65.5 | 50.9 | 0 | 111.1 | M477 L478 Q484 I485 | M477-K481 WeakPolarHBondContact O-CG 3.19Å; M477-K481 PolarHBondContact O-N 2.91Å; L478-K481 CarbonylContact O-C 2.77Å; L478-K481 WeakPolarHBondContact O-CA 3.44Å; L478-K481 WeakPolarHBondContact O-CB 3.32Å; L478-K481 PolarHBondContact O-N 3.31Å; K481-Q484 CarbonylContact O-C 3.58Å; K481-Q484 WeakPolarHBondContact O-CB 3.29Å; K481-Q484 PolarHBondContact O-N 2.94Å; K481-I485 VanDerWaalsContact O-CG1 3.29Å; K481-I485 WeakPolarHBondContact O-CG1 3.28Å; K481-I485 PolarHBondContact O-N 3.33Å |
| 482 | D | 94.1 | Very high | 91 | Very high | 86 Ų | 86 | 102.2 Ų | 102.2 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 179.2 | -70.5 | -27.3 | 0 | 0 | 0 | 111.9 | L478 Q479 Q484 I485 E486 | L478-D482 PolarHBondContact O-N 2.92Å; Q479-D482 PolarHBondContact O-N 2.9Å; D482-Q484 VanDerWaalsContact C-N 3.28Å; D482-Q484 PolarHBondContact O-N 2.89Å; D482-I485 CarbonylContact O-C 3.6Å; D482-I485 WeakPolarHBondContact O-CB 3.49Å; D482-I485 PolarHBondContact O-N 3.27Å; D482-I485 VanDerWaalsContact O-N 3.15Å; D482-E486 WeakPolarHBondContact O-CB 3.1Å; D482-E486 PolarHBondContact O-N 3.26Å |
| 483 | K | 97.1 | Very high | 92.7 | Very high | 115 Ų | 115 | 102.9 Ų | 102.9 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.6 | -38.4 | 170.5 | 172.8 | 165 | 160.4 | -94.3 | 0 | 112.5 | Q479 E480 E486 A487 | Q479-K483 VanDerWaalsContact O-CB 3.23Å; Q479-K483 WeakPolarHBondContact O-CB 3.34Å; Q479-K483 PolarHBondContact O-N 3.28Å; E480-K483 IonicContact OE1-NZ 3.95Å; E480-K483 PolarHBondContact OE1-NZ 2.78Å; E480-K483 IonicContact OE2-NZ 3.15Å; E480-K483 PolarHBondContact OE2-NZ 2.91Å; K483-E486 PolarHBondContact O-N 3.39Å; K483-A487 WeakPolarHBondContact O-CB 3.22Å; K483-A487 PolarHBondContact O-N 3.07Å |
| 484 | Q | 96.2 | Very high | 94 | Very high | 99 Ų | 99 | 104.6 Ų | 104.6 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.9 | -36.8 | 175.2 | -169.5 | 166.5 | 37.8 | 0 | 0 | 112.6 | E480 K481 D482 L488 | E480-Q484 WeakPolarHBondContact O-CB 3.45Å; E480-Q484 PolarHBondContact O-N 3.4Å; K481-Q484 CarbonylContact O-C 3.58Å; K481-Q484 WeakPolarHBondContact O-CB 3.29Å; K481-Q484 PolarHBondContact O-N 2.94Å; D482-Q484 VanDerWaalsContact C-N 3.28Å; D482-Q484 PolarHBondContact O-N 2.89Å; Q484-L488 HydrophobicContact CG-CD1 4.4Å; Q484-L488 WeakPolarHBondContact O-CB 3.37Å; Q484-L488 WeakPolarHBondContact O-CG 3.17Å; Q484-L488 PolarHBondContact O-N 3.28Å |
| 485 | I | 96.6 | Very high | 95 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 171.7 | -70.7 | 161.9 | 0 | 0 | 0 | 110.6 | K481 D482 L488 T489 | K481-I485 VanDerWaalsContact O-CG1 3.29Å; K481-I485 WeakPolarHBondContact O-CG1 3.28Å; K481-I485 PolarHBondContact O-N 3.33Å; D482-I485 CarbonylContact O-C 3.6Å; D482-I485 WeakPolarHBondContact O-CB 3.49Å; D482-I485 PolarHBondContact O-N 3.27Å; D482-I485 VanDerWaalsContact O-N 3.15Å; I485-L488 PolarHBondContact O-N 3.17Å; I485-T489 VanDerWaalsContact O-CB 3.27Å; I485-T489 WeakPolarHBondContact O-CB 3.34Å; I485-T489 PolarHBondContact O-N 2.82Å; I485-T489 PolarHBondContact O-OG1 3.16Å |
| 486 | E | 97.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 105.9 Ų | 105.9 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 178.2 | -154.6 | -129.1 | 148.3 | 0 | 0 | 111.2 | D482 K483 T489 R490 | D482-E486 WeakPolarHBondContact O-CB 3.1Å; D482-E486 PolarHBondContact O-N 3.26Å; K483-E486 PolarHBondContact O-N 3.39Å; E486-T489 PolarHBondContact O-N 3.29Å; E486-R490 WeakPolarHBondContact O-CB 3.19Å; E486-R490 PolarHBondContact O-N 3.4Å; E486-R490 IonicContact OE1-CZ 3Å; E486-R490 IonicContact OE1-NE 3.19Å; E486-R490 IonicContact OE1-NH2 2.69Å; E486-R490 PolarHBondContact OE1-NH2 2.96Å; E486-R490 IonicContact OE2-CZ 2.69Å; E486-R490 IonicContact OE2-NH2 3.75Å; E486-R490 PolarHBondContact OE2-NH2 2.92Å |
| 487 | A | 96.8 | Very high | 95.7 | Very high | 45 Ų | 45 | 105.6 Ų | 105.6 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K483 R490 M491 | K483-A487 WeakPolarHBondContact O-CB 3.22Å; K483-A487 PolarHBondContact O-N 3.07Å; A487-R490 PolarHBondContact O-N 3.11Å; A487-M491 PolarHBondContact O-N 2.77Å |
| 488 | L | 96.3 | Very high | 95.9 | Very high | 108 Ų | 108 | 104.7 Ų | 104.7 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 173.6 | -80.1 | 164.3 | 0 | 0 | 0 | 111.7 | Q484 I485 R490 M491 L492 | Q484-L488 HydrophobicContact CG-CD1 4.4Å; Q484-L488 WeakPolarHBondContact O-CB 3.37Å; Q484-L488 WeakPolarHBondContact O-CG 3.17Å; Q484-L488 PolarHBondContact O-N 3.28Å; I485-L488 PolarHBondContact O-N 3.17Å; L488-R490 VanDerWaalsContact C-N 3.34Å; L488-R490 PolarHBondContact O-N 2.87Å; L488-M491 PolarHBondContact O-N 3.47Å; L488-L492 WeakPolarHBondContact O-CB 3.33Å; L488-L492 PolarHBondContact O-N 3.37Å |
| 489 | T | 96.6 | Very high | 96.1 | Very high | 52 Ų | 52 | 104.3 Ų | 104.3 | 32% | 0.319 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | I485 E486 L492 R493 | I485-T489 VanDerWaalsContact O-CB 3.27Å; I485-T489 WeakPolarHBondContact O-CB 3.34Å; I485-T489 PolarHBondContact O-N 2.82Å; I485-T489 PolarHBondContact O-OG1 3.16Å; E486-T489 PolarHBondContact O-N 3.29Å; T489-L492 PolarHBondContact O-N 2.75Å; T489-R493 WeakPolarHBondContact O-CG 3.45Å; T489-R493 PolarHBondContact O-N 2.86Å |
| 490 | R | 98.1 | Very high | 96.3 | Very high | 117 Ų | 117 | 103.9 Ų | 103.9 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.7 | -163.5 | -177.6 | -59.6 | 124.3 | -2.8 | 111.3 | E486 A487 L488 L492 R493 Q494 | E486-R490 WeakPolarHBondContact O-CB 3.19Å; E486-R490 PolarHBondContact O-N 3.4Å; E486-R490 IonicContact OE1-CZ 3Å; E486-R490 IonicContact OE1-NE 3.19Å; E486-R490 IonicContact OE1-NH2 2.69Å; E486-R490 PolarHBondContact OE1-NH2 2.96Å; E486-R490 IonicContact OE2-CZ 2.69Å; E486-R490 IonicContact OE2-NH2 3.75Å; E486-R490 PolarHBondContact OE2-NH2 2.92Å; A487-R490 PolarHBondContact O-N 3.11Å; L488-R490 VanDerWaalsContact C-N 3.34Å; L488-R490 PolarHBondContact O-N 2.87Å; R490-L492 PolarHBondContact O-N 3.01Å; R490-R493 PolarHBondContact O-N 3.44Å; R490-Q494 WeakPolarHBondContact O-CG 3.43Å; R490-Q494 PolarHBondContact O-N 2.81Å |
| 491 | M | 97.4 | Very high | 96.4 | Very high | 93 Ų | 93 | 107.7 Ų | 107.7 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 174.8 | -170.4 | -167.5 | -64.7 | 0 | 0 | 112.1 | A487 L488 Q494 K495 | A487-M491 PolarHBondContact O-N 2.77Å; L488-M491 PolarHBondContact O-N 3.47Å; M491-Q494 PolarHBondContact O-N 3.41Å; M491-K495 HydrophobicContact CG-CD 4.5Å; M491-K495 WeakPolarHBondContact O-CG 3.16Å; M491-K495 PolarHBondContact O-N 3.32Å |
| 492 | L | 97.5 | Very high | 96.4 | Very high | 117 Ų | 117 | 106.8 Ų | 106.8 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 176.7 | -176.3 | 61.6 | 0 | 0 | 0 | 111.5 | L488 T489 R490 K495 Q496 | L488-L492 WeakPolarHBondContact O-CB 3.33Å; L488-L492 PolarHBondContact O-N 3.37Å; T489-L492 PolarHBondContact O-N 2.75Å; R490-L492 PolarHBondContact O-N 3.01Å; L492-K495 PolarHBondContact O-N 3.49Å; L492-Q496 WeakPolarHBondContact O-CB 3.29Å; L492-Q496 PolarHBondContact O-N 3.24Å |
| 493 | R | 95.8 | Very high | 96.5 | Very high | 172 Ų | 172 | 109.4 Ų | 109.4 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 173 | -73.4 | 173.1 | -177 | 167 | 2.4 | 111.9 | T489 R490 K495 Q496 Q497 | T489-R493 WeakPolarHBondContact O-CG 3.45Å; T489-R493 PolarHBondContact O-N 2.86Å; R490-R493 PolarHBondContact O-N 3.44Å; R493-K495 PolarHBondContact O-N 2.94Å; R493-Q496 PolarHBondContact O-N 3.47Å; R493-Q497 WeakPolarHBondContact O-CG 3.41Å; R493-Q497 PolarHBondContact O-N 3.37Å |
| 494 | Q | 97 | Very high | 96.4 | Very high | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 175.1 | -74.5 | 174.7 | -25.2 | 0 | 0 | 112.2 | R490 M491 Q496 Q497 L498 | R490-Q494 WeakPolarHBondContact O-CG 3.43Å; R490-Q494 PolarHBondContact O-N 2.81Å; M491-Q494 PolarHBondContact O-N 3.41Å; Q494-Q496 VanDerWaalsContact C-N 3.34Å; Q494-Q496 PolarHBondContact O-N 2.83Å; Q494-Q497 PolarHBondContact O-N 2.74Å; Q494-L498 PolarHBondContact O-N 3.48Å |
| 495 | K | 95.4 | Very high | 96.2 | Very high | 124 Ų | 124 | 109.9 Ų | 109.9 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 174.7 | -75 | 178.3 | 177 | 176.5 | 0 | 111.8 | M491 L492 R493 L498 V499 | M491-K495 HydrophobicContact CG-CD 4.5Å; M491-K495 WeakPolarHBondContact O-CG 3.16Å; M491-K495 PolarHBondContact O-N 3.32Å; L492-K495 PolarHBondContact O-N 3.49Å; R493-K495 PolarHBondContact O-N 2.94Å; K495-L498 PolarHBondContact O-N 2.89Å; K495-V499 WeakPolarHBondContact O-CG2 3.26Å; K495-V499 PolarHBondContact O-N 3.06Å |
| 496 | Q | 96.2 | Very high | 95.9 | Very high | 116 Ų | 116 | 110.7 Ų | 110.7 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 177.5 | -172.4 | 57.8 | 83.6 | 0 | 0 | 112.3 | L492 R493 Q494 V499 E500 | L492-Q496 WeakPolarHBondContact O-CB 3.29Å; L492-Q496 PolarHBondContact O-N 3.24Å; R493-Q496 PolarHBondContact O-N 3.47Å; Q494-Q496 VanDerWaalsContact C-N 3.34Å; Q494-Q496 PolarHBondContact O-N 2.83Å; Q496-V499 PolarHBondContact O-N 2.95Å; Q496-E500 WeakPolarHBondContact O-CB 3.3Å; Q496-E500 PolarHBondContact O-N 3.38Å |
| 497 | Q | 95.7 | Very high | 95.6 | Very high | 125 Ų | 125 | 111.1 Ų | 111.1 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.3 | -36.3 | 173.8 | -73.1 | 175.6 | -27.3 | 0 | 0 | 112.6 | R493 Q494 E500 R501 | R493-Q497 WeakPolarHBondContact O-CG 3.41Å; R493-Q497 PolarHBondContact O-N 3.37Å; Q494-Q497 PolarHBondContact O-N 2.74Å; Q497-E500 PolarHBondContact O-N 2.84Å; Q497-R501 WeakPolarHBondContact O-CB 3.46Å; Q497-R501 PolarHBondContact O-N 3.1Å |
| 498 | L | 95.8 | Very high | 95.1 | Very high | 84 Ų | 84 | 115.7 Ų | 115.7 | 44% | 0.44 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -43.9 | 174.3 | -179.7 | 60.6 | 0 | 0 | 0 | 111.4 | Q494 K495 E500 R501 L502 | Q494-L498 PolarHBondContact O-N 3.48Å; K495-L498 PolarHBondContact O-N 2.89Å; L498-E500 VanDerWaalsContact C-N 3.31Å; L498-E500 PolarHBondContact O-N 3.3Å; L498-R501 PolarHBondContact O-N 3.23Å; L498-L502 HydrophobicContact CD1-CD1 4.21Å; L498-L502 HydrophobicContact CD1-CG 4.31Å; L498-L502 HydrophobicContact CG-CD1 4.05Å; L498-L502 WeakPolarHBondContact O-CB 3.25Å; L498-L502 VanDerWaalsContact O-CG 3.28Å; L498-L502 WeakPolarHBondContact O-CG 3.47Å; L498-L502 PolarHBondContact O-N 2.67Å |
| 499 | V | 97.3 | Very high | 94.3 | Very high | 87 Ų | 87 | 115.5 Ų | 115.5 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 174.3 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | K495 Q496 L502 K503 | K495-V499 WeakPolarHBondContact O-CG2 3.26Å; K495-V499 PolarHBondContact O-N 3.06Å; Q496-V499 PolarHBondContact O-N 2.95Å; V499-L502 PolarHBondContact O-N 3.5Å; V499-K503 VanDerWaalsContact O-CB 3.31Å; V499-K503 WeakPolarHBondContact O-CB 3.4Å; V499-K503 PolarHBondContact O-N 3.49Å |
| 500 | E | 96.7 | Very high | 93.6 | Very high | 129 Ų | 129 | 120.7 Ų | 120.7 | 60% | 0.603 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.5 | -46.6 | 175.5 | -174.3 | 174.4 | -167.4 | 0 | 0 | 112.1 | Q496 Q497 L498 L502 K503 L504 | Q496-E500 WeakPolarHBondContact O-CB 3.3Å; Q496-E500 PolarHBondContact O-N 3.38Å; Q497-E500 PolarHBondContact O-N 2.84Å; L498-E500 VanDerWaalsContact C-N 3.31Å; L498-E500 PolarHBondContact O-N 3.3Å; E500-L502 PolarHBondContact O-N 3.42Å; E500-K503 PolarHBondContact O-N 3.18Å; E500-L504 PolarHBondContact O-N 3.27Å |
| 501 | R | 95.2 | Very high | 92.2 | Very high | 169 Ų | 169 | 125.2 Ų | 125.2 | 64% | 0.638 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.8 | -47 | 173.9 | -174 | -166.6 | -63.1 | 162.9 | -1.5 | 111.8 | Q497 L498 K503 L504 Q505 | Q497-R501 WeakPolarHBondContact O-CB 3.46Å; Q497-R501 PolarHBondContact O-N 3.1Å; L498-R501 PolarHBondContact O-N 3.23Å; R501-K503 VanDerWaalsContact C-N 3.33Å; R501-K503 PolarHBondContact O-N 2.95Å; R501-L504 PolarHBondContact O-N 3.45Å; R501-Q505 WeakPolarHBondContact O-CB 3.33Å; R501-Q505 PolarHBondContact O-N 3.5Å |
| 502 | L | 95.9 | Very high | 90.7 | Very high | 84 Ų | 84 | 124.9 Ų | 124.9 | 44% | 0.44 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.3 | -36.8 | 179.2 | -71.3 | 170.2 | 0 | 0 | 0 | 111.8 | L498 V499 E500 Q505 L506 | L498-L502 HydrophobicContact CD1-CD1 4.21Å; L498-L502 HydrophobicContact CD1-CG 4.31Å; L498-L502 HydrophobicContact CG-CD1 4.05Å; L498-L502 WeakPolarHBondContact O-CB 3.25Å; L498-L502 VanDerWaalsContact O-CG 3.28Å; L498-L502 WeakPolarHBondContact O-CG 3.47Å; L498-L502 PolarHBondContact O-N 2.67Å; V499-L502 PolarHBondContact O-N 3.5Å; E500-L502 PolarHBondContact O-N 3.42Å; L502-Q505 PolarHBondContact O-N 3.34Å; L502-L506 WeakPolarHBondContact O-CB 3.24Å; L502-L506 WeakPolarHBondContact O-CG 3.19Å; L502-L506 PolarHBondContact O-N 2.94Å |
| 503 | K | 94.9 | Very high | 88.7 | Confident | 141 Ų | 141 | 125.8 Ų | 125.8 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -45.1 | 172.7 | -174.6 | -167.5 | 171.1 | -159.8 | 0 | 111.4 | V499 E500 R501 Q505 L506 E507 | V499-K503 VanDerWaalsContact O-CB 3.31Å; V499-K503 WeakPolarHBondContact O-CB 3.4Å; V499-K503 PolarHBondContact O-N 3.49Å; E500-K503 PolarHBondContact O-N 3.18Å; R501-K503 VanDerWaalsContact C-N 3.33Å; R501-K503 PolarHBondContact O-N 2.95Å; K503-Q505 VanDerWaalsContact C-N 3.34Å; K503-L506 PolarHBondContact O-N 3.05Å; K503-E507 WeakPolarHBondContact O-CB 3.31Å; K503-E507 PolarHBondContact O-N 2.9Å |
| 504 | L | 95.3 | Very high | 86.2 | Confident | 115 Ų | 115 | 125.2 Ų | 125.2 | 60% | 0.602 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.9 | -40.3 | 176.5 | -179.1 | 63.5 | 0 | 0 | 0 | 111.7 | E500 R501 E507 Q508 | E500-L504 PolarHBondContact O-N 3.27Å; R501-L504 PolarHBondContact O-N 3.45Å; L504-E507 PolarHBondContact O-N 2.86Å; L504-Q508 WeakPolarHBondContact O-CB 3.45Å; L504-Q508 PolarHBondContact O-N 2.95Å |
| 505 | Q | 92.3 | Very high | 83.8 | Confident | 108 Ų | 108 | 125.4 Ų | 125.4 | 51% | 0.505 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.9 | -43.7 | 176.7 | -172.9 | 173.7 | -18 | 0 | 0 | 111.9 | R501 L502 K503 E507 Q508 E509 | R501-Q505 WeakPolarHBondContact O-CB 3.33Å; R501-Q505 PolarHBondContact O-N 3.5Å; L502-Q505 PolarHBondContact O-N 3.34Å; K503-Q505 VanDerWaalsContact C-N 3.34Å; Q505-E507 VanDerWaalsContact C-N 3.33Å; Q505-E507 PolarHBondContact O-N 2.94Å; Q505-Q508 PolarHBondContact O-N 2.95Å; Q505-E509 WeakPolarHBondContact O-CB 3.5Å; Q505-E509 PolarHBondContact O-N 3.4Å |
| 506 | L | 91.1 | Very high | 81.1 | Confident | 112 Ų | 112 | 124 Ų | 124 | 59% | 0.586 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.8 | -33 | 173 | -73.5 | 168.2 | 0 | 0 | 0 | 112.7 | L502 K503 K510 | L502-L506 WeakPolarHBondContact O-CB 3.24Å; L502-L506 WeakPolarHBondContact O-CG 3.19Å; L502-L506 PolarHBondContact O-N 2.94Å; K503-L506 PolarHBondContact O-N 3.05Å; L506-K510 WeakPolarHBondContact O-CB 3.49Å; L506-K510 PolarHBondContact O-N 2.72Å |
| 507 | E | 90.8 | Very high | 78.6 | Confident | 116 Ų | 116 | 124.9 Ų | 124.9 | 54% | 0.542 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71 | -38.1 | 174.8 | -169.2 | 169.5 | 101.2 | 0 | 0 | 111.9 | K503 L504 Q505 K510 R511 | K503-E507 WeakPolarHBondContact O-CB 3.31Å; K503-E507 PolarHBondContact O-N 2.9Å; L504-E507 PolarHBondContact O-N 2.86Å; Q505-E507 VanDerWaalsContact C-N 3.33Å; Q505-E507 PolarHBondContact O-N 2.94Å; E507-K510 PolarHBondContact O-N 3.4Å; E507-R511 WeakPolarHBondContact O-CB 3.43Å; E507-R511 PolarHBondContact O-N 3.5Å |
| 508 | Q | 85 | Confident | 75.7 | Confident | 141 Ų | 141 | 123.6 Ų | 123.6 | 66% | 0.659 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.3 | -45.4 | 171.7 | -173.5 | -179 | 40.1 | 0 | 0 | 111.4 | L504 Q505 R511 A512 | L504-Q508 WeakPolarHBondContact O-CB 3.45Å; L504-Q508 PolarHBondContact O-N 2.95Å; Q505-Q508 PolarHBondContact O-N 2.95Å; Q508-R511 WeakPolarHBondContact O-CB 3.32Å; Q508-R511 PolarHBondContact O-N 3.18Å; Q508-A512 PolarHBondContact O-N 2.91Å |
| 509 | E | 79.9 | Confident | 73.1 | Confident | 103 Ų | 103 | 125.8 Ų | 125.8 | 48% | 0.481 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -62.2 | -46.4 | 176.1 | -165.4 | -167.4 | 114.5 | 0 | 0 | 111.4 | Q505 R511 A512 Q513 | Q505-E509 WeakPolarHBondContact O-CB 3.5Å; Q505-E509 PolarHBondContact O-N 3.4Å; E509-R511 PolarHBondContact O-N 3.41Å; E509-A512 WeakPolarHBondContact O-CB 3.45Å; E509-A512 PolarHBondContact O-N 3.16Å; E509-Q513 WeakPolarHBondContact O-CG 3.22Å; E509-Q513 PolarHBondContact O-N 3.18Å; E509-Q513 PolarHBondContact OE1-NE2 3.34Å |
| 510 | K | 81.9 | Confident | 70.2 | Confident | 162 Ų | 162 | 126 Ų | 126 | 70% | 0.704 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -58.8 | -34.1 | 174 | -178.3 | -176.8 | 175.5 | -172.7 | 0 | 112.5 | L506 E507 | L506-K510 WeakPolarHBondContact O-CB 3.49Å; L506-K510 PolarHBondContact O-N 2.72Å; E507-K510 PolarHBondContact O-N 3.4Å |
| 511 | R | 68.4 | Low | 68.1 | Low | 212 Ų | 212 | 125.2 Ų | 125.2 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.8 | -34.8 | 174.6 | -169.8 | 179.5 | -178.1 | 112.1 | 3.4 | 112.2 | E507 Q508 E509 Q513 | E507-R511 WeakPolarHBondContact O-CB 3.43Å; E507-R511 PolarHBondContact O-N 3.5Å; Q508-R511 WeakPolarHBondContact O-CB 3.32Å; Q508-R511 PolarHBondContact O-N 3.18Å; E509-R511 PolarHBondContact O-N 3.41Å; R511-Q513 VanDerWaalsContact C-N 3.33Å |
| 512 | A | 66.9 | Low | 65 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.8 | -25.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q508 E509 Q514 | Q508-A512 PolarHBondContact O-N 2.91Å; E509-A512 WeakPolarHBondContact O-CB 3.45Å; E509-A512 PolarHBondContact O-N 3.16Å; A512-Q514 VanDerWaalsContact C-N 3.33Å; A512-Q514 PolarHBondContact O-N 3.26Å |
| 513 | Q | 55.7 | Low | 61.9 | Low | 136 Ų | 136 | 125 Ų | 125 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 16.5 | 178.5 | -65.9 | -172.6 | 50.1 | 0 | 0 | 114.8 | E509 R511 P515 | E509-Q513 WeakPolarHBondContact O-CG 3.22Å; E509-Q513 PolarHBondContact O-N 3.18Å; E509-Q513 PolarHBondContact OE1-NE2 3.34Å; R511-Q513 VanDerWaalsContact C-N 3.33Å; Q513-P515 WeakPolarHBondContact O-CD 3.02Å |
| 514 | Q | 42.7 | Very low | 58.9 | Low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -91.8 | 112.5 | 172.6 | -81.9 | -89.3 | -60.2 | 0 | 0 | 111.1 | A512 | A512-Q514 VanDerWaalsContact C-N 3.33Å; A512-Q514 PolarHBondContact O-N 3.26Å | ||
| 515 | P | 46.6 | Very low | 56.9 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 139.9 | -178.3 | 32.3 | -34.6 | 0 | 0 | 0 | 113.1 | Q513 | Q513-P515 WeakPolarHBondContact O-CD 3.02Š|
| 516 | A | 39.6 | Very low | 53.8 | Low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 150.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 517 | P | 43.7 | Very low | 50.8 | Low | 134 Ų | 134 | 130 Ų | 130 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 138.2 | -171.7 | 34.2 | -34.7 | 0 | 0 | 0 | 114.6 | ||
| 518 | A | 34.2 | Very low | 48.1 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -151.7 | 158 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 519 | P | 41.4 | Very low | 45.4 | Very low | 130 Ų | 130 | 135 Ų | 135 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -95.8 | 164.1 | -161.6 | 36.8 | -37 | 0 | 0 | 0 | 116.7 | ||||
| 520 | A | 35.9 | Very low | 42.9 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -89.6 | 173.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 521 | P | 51.9 | Low | 40.4 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -159.9 | -177.1 | 84.5 | 45.4 | -25.8 | 0 | 0 | 0 | 118.4 | |||||
| 522 | L | 31.2 | Very low | 39 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 70.7 | 130.4 | 153.6 | -72.3 | 167.5 | 0 | 0 | 0 | 122.4 | ||||
| 523 | G | 31 | Very low | 37.2 | Very low | 72 Ų | 72 | 134.5 Ų | 134.5 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 139.8 | 116.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 524 | T | 31.1 | Very low | 36.7 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -147.2 | 177.3 | 171.8 | 67.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 525 | P | 53.2 | Low | 35.8 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | cis | -130.6 | 175.5 | -7 | 40.4 | -24.7 | 0 | 0 | 0 | 114.6 | ||||
| 526 | V | 27.1 | Very low | 35.3 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | 172 | 115.8 | 128.5 | 152.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 527 | K | 28.5 | Very low | 34.8 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | trans | 43.8 | 94.8 | 143.1 | -164.3 | -178.9 | -177.9 | 178.3 | 0 | 120 | ||||
| 528 | Q | 33.8 | Very low | 34.2 | Very low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | -157.7 | 142.1 | 105.1 | -166.8 | 155 | -4.5 | 0 | 0 | 112 | |||||
| 529 | E | 28.6 | Very low | 34 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -71.4 | 154.3 | 172 | -99.1 | 173.7 | 83.5 | 0 | 0 | 112.4 | ||||
| 530 | N | 28.5 | Very low | 33.4 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -143.9 | 156.9 | -5.4 | -161.8 | 0.7 | 0 | 0 | 0 | 108.9 | ||||
| 531 | S | 27.9 | Very low | 33.4 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -138.6 | 163.7 | -172.8 | -83.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 532 | F | 38.6 | Very low | 32.2 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -40.1 | 151 | 175.1 | -41.4 | -97.4 | 0 | 0 | 0 | 115 | ||||
| 533 | S | 30.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | -178.7 | 163.7 | 112.7 | -83.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 534 | S | 44.5 | Very low | 32.1 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -84.7 | 146.9 | 173.1 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 535 | C | 24.1 | Very low | 31.8 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -151.1 | 130.1 | 159.6 | -93.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 536 | Q | 35 | Very low | 30.7 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | 86.5 | 106.4 | 55 | -75.7 | -83.9 | 35.4 | 0 | 0 | 113.8 | |||||
| 537 | L | 29.3 | Very low | 31.1 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | 151.5 | 154.3 | 150.3 | -104.5 | 61.6 | 0 | 0 | 0 | 110 | ||||
| 538 | S | 31.1 | Very low | 31 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | -179.1 | 138.4 | -36.4 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 539 | Q | 29.6 | Very low | 31.1 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | -174.2 | 171.8 | 128.3 | -104.5 | 176.9 | 115 | 0 | 0 | 114.6 | |||||
| 540 | Q | 30.2 | Very low | 31.7 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -85.5 | 172.8 | -162.1 | -134.9 | 175.1 | 10.5 | 0 | 0 | 113.3 | L542 | Q540-L542 VanDerWaalsContact CD-CD1 3.49Å; Q540-L542 HydrophobicContact CG-CD1 4.42Å; Q540-L542 VanDerWaalsContact OE1-CD1 3.29Å | ||
| 541 | P | 34.4 | Very low | 31.5 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 50% | 0.5 | 77% | 0.767 | S | S | . | * | -136.8 | 162.1 | 84 | 37.5 | -24.7 | 0 | 0 | 0 | 115.2 | |||||
| 542 | L | 27.9 | Very low | 31.8 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -72.8 | 151.9 | 176.8 | -67.2 | 89.9 | 0 | 0 | 0 | 112.7 | Q540 | Q540-L542 VanDerWaalsContact CD-CD1 3.49Å; Q540-L542 HydrophobicContact CG-CD1 4.42Å; Q540-L542 VanDerWaalsContact OE1-CD1 3.29Å | ||
| 543 | G | 24.5 | Very low | 31.3 | Very low | 63 Ų | 63 | 130.1 Ų | 130.1 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -126.6 | 147 | 150 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 544 | P | 34.8 | Very low | 31.2 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -80.9 | 136.9 | -165.6 | -11.1 | 28.2 | 0 | 0 | 0 | 113.1 | ||||
| 545 | A | 26.1 | Very low | 31.1 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | -104.7 | 111.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 546 | H | 30.3 | Very low | 31.2 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -145 | 101.8 | 162.8 | -105.8 | -54.8 | 0 | 0 | 0 | 110.8 | F548 | H546-F548 AromaticContact CE1-CE2 3.29Å; H546-F548 WeakPolarHBondContact CE1-CE2 3.34Å; H546-F548 AromaticContact CE1-CZ 3.78Å; H546-F548 AromaticContact ND1-CD2 3.64Å; H546-F548 AromaticContact ND1-CE2 3.4Å; H546-F548 WeakPolarHBondContact ND1-CE2 3.31Å | ||
| 547 | P | 33.8 | Very low | 30.9 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -109.9 | 113.5 | 145.5 | 32.1 | -22.9 | 0 | 0 | 0 | 108.8 | ||||
| 548 | F | 27.8 | Very low | 30.8 | Very low | 174 Ų | 174 | 124.4 Ų | 124.4 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | -77.8 | 124.3 | 167.1 | -91.3 | -85.9 | 0 | 0 | 0 | 109.4 | H546 | H546-F548 AromaticContact CE1-CE2 3.29Å; H546-F548 WeakPolarHBondContact CE1-CE2 3.34Å; H546-F548 AromaticContact CE1-CZ 3.78Å; H546-F548 AromaticContact ND1-CD2 3.64Å; H546-F548 AromaticContact ND1-CE2 3.4Å; H546-F548 WeakPolarHBondContact ND1-CE2 3.31Å | ||
| 549 | N | 34.8 | Very low | 30.6 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -69.7 | 149.2 | 162 | -72 | -48 | 0 | 0 | 0 | 109.9 | ||||
| 550 | P | 41.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | -136.5 | 129.9 | 133.2 | 35.1 | -23.2 | 0 | 0 | 0 | 112.9 | ||||
| 551 | S | 25.5 | Very low | 30.6 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -154.1 | 160.4 | 143.9 | -160.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 552 | L | 32.2 | Very low | 31.4 | Very low | 167 Ų | 167 | 125.8 Ų | 125.8 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -92.4 | 172.8 | -163.1 | -93.6 | 71.8 | 0 | 0 | 0 | 114.4 | ||||
| 553 | A | 28.6 | Very low | 31.3 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -67.4 | 157.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 554 | A | 28.3 | Very low | 31.4 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | 1 | 156.1 | 138 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 555 | P | 43.5 | Very low | 31.1 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | cis | -148 | 165.8 | 35.6 | 41.6 | -20.7 | 0 | 0 | 0 | 121 | ||||
| 556 | A | 27.1 | Very low | 31.1 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | 4.2 | 145.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 557 | T | 28.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | -172.5 | 149.6 | 101.7 | 22.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 558 | N | 26.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 20.8 | 128.3 | 153.9 | -46.5 | -30.3 | 0 | 0 | 0 | 120.4 | ||||
| 559 | H | 26.2 | Very low | 32.5 | Very low | 158 Ų | 158 | 120.4 Ų | 120.4 | 73% | 0.731 | 77% | 0.774 | S | S | * | * | cis | 90.1 | 115.3 | 35.9 | -170.9 | -66.6 | 0 | 0 | 0 | 115.8 | ||||
| 560 | I | 30.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 170.2 | 108.2 | 145.2 | -88.2 | 152.7 | 0 | 0 | 0 | 106.5 | ||||
| 561 | D | 29 | Very low | 31.9 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | 67.1 | 152.5 | 72 | -132 | 36.3 | 0 | 0 | 0 | 113.5 | |||||
| 562 | P | 51.3 | Low | 31.9 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | cis | -144.2 | -179.9 | 21.3 | 44.7 | -24.9 | 0 | 0 | 0 | 120.3 | ||||
| 563 | C | 27.5 | Very low | 31.6 | Very low | 120 Ų | 120 | 116.8 Ų | 116.8 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 87.4 | 135.3 | 157.1 | -65.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 564 | A | 26.2 | Very low | 31.5 | Very low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | cis | -164.7 | 146.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 565 | V | 27.5 | Very low | 31.4 | Very low | 149 Ų | 149 | 122 Ų | 122 | 90% | 0.903 | 76% | 0.762 | S | S | * | * | trans | 71.8 | 145.4 | 150.2 | 171.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 566 | A | 27.2 | Very low | 30.5 | Very low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | trans | -108.5 | -159.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 567 | P | 39.3 | Very low | 30.3 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | cis | -140.5 | 174.9 | -3.1 | 43.4 | -25.4 | 0 | 0 | 0 | 117.2 | ||||
| 568 | G | 26.5 | Very low | 30 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 95.4 | 135.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 569 | P | 54.8 | Low | 29.7 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -97.4 | 171.1 | 174.2 | 40.2 | -35.9 | 0 | 0 | 0 | 112.9 | ||||
| 570 | P | 37.9 | Very low | 29.5 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -154.8 | 179.9 | 103.1 | 41.6 | -24.6 | 0 | 0 | 0 | 116.7 | |||||
| 571 | S | 25.1 | Very low | 29.8 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 67.3 | 125.3 | 156.7 | -71 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 572 | V | 25.4 | Very low | 29.5 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | 77.5 | 109 | 60.2 | 173.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 573 | V | 27 | Very low | 28.4 | Very low | 133 Ų | 133 | 125 Ų | 125 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | -169.2 | 135.3 | 118.1 | 149.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 574 | V | 25.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | -117.4 | 157.3 | 160.7 | 172.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 575 | K | 26.7 | Very low | 28.6 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 67% | 0.665 | 75% | 0.753 | S | S | * | * | trans | 108 | 100.6 | 155.9 | -160.6 | 170.2 | -175.1 | -172.4 | 0 | 117.7 | ||||
| 576 | Q | 25.6 | Very low | 28.3 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | 53.9 | 145.9 | 107.9 | -150.2 | -174.4 | -19.2 | 0 | 0 | 120.8 | |||||
| 577 | E | 21.5 | Very low | 28.7 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | 99.1 | 104.4 | 140.9 | -140 | 134.4 | 91.9 | 0 | 0 | 121.4 | ||||
| 578 | A | 21.9 | Very low | 27.9 | Very low | 84 Ų | 84 | 125.2 Ų | 125.2 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | 72.1 | 144.1 | 126.7 | 0 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 579 | L | 20.9 | Very low | 28.5 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | 58.6 | 109.8 | 146.6 | -96.9 | 74.3 | 0 | 0 | 0 | 122.4 | ||||
| 580 | Q | 22.7 | Very low | 27.1 | Very low | 176 Ų | 176 | 129 Ų | 129 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | 58.7 | 170.4 | 131.3 | -72 | -120.7 | -40.2 | 0 | 0 | 120.2 | ||||
| 581 | P | 35.4 | Very low | 26.5 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -125.1 | -161.8 | -11.6 | 34.5 | -13.2 | 0 | 0 | 0 | 114.1 | ||||
| 582 | E | 23.7 | Very low | 26.4 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -11.8 | 159.2 | 154 | -112.6 | -132.3 | 114.4 | 0 | 0 | 120.1 | E584 | E582-E584 PolarHBondContact OE1-N 3.26Å; E582-E584 VanDerWaalsContact OE1-N 3.15Å | ||
| 583 | P | 27.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | cis | -148.6 | 175.3 | 40.4 | 42.3 | -21 | 0 | 0 | 0 | 121.7 | ||||
| 584 | E | 21.5 | Very low | 26.2 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | trans | -79 | 167.8 | 166.7 | -141.8 | -148.3 | 128.4 | 0 | 0 | 113.1 | E582 V586 | E582-E584 PolarHBondContact OE1-N 3.26Å; E582-E584 VanDerWaalsContact OE1-N 3.15Å; E584-V586 WeakPolarHBondContact OE1-CG2 3.25Å; E584-V586 PolarHBondContact OE1-N 2.98Å | ||
| 585 | P | 36.1 | Very low | 27.2 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | -159.3 | 148.2 | 79.4 | 40.2 | -18 | 0 | 0 | 0 | 120.8 | |||||
| 586 | V | 20.9 | Very low | 27.2 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 66% | 0.655 | 73% | 0.731 | S | S | * | * | 42.2 | 130.8 | 120.2 | -164.2 | 0 | 0 | 0 | 0 | 118.7 | E584 | E584-V586 WeakPolarHBondContact OE1-CG2 3.25Å; E584-V586 PolarHBondContact OE1-N 2.98Å | |||
| 587 | P | 36 | Very low | 27.3 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | cis | -147 | 167 | 49 | 41.2 | -21.3 | 0 | 0 | 0 | 120.2 | ||||
| 588 | A | 23.5 | Very low | 28.5 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | trans | -96.5 | 170 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 589 | P | 38.6 | Very low | 28.8 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | -150.5 | 133.4 | 104.7 | 38.8 | -21.3 | 0 | 0 | 0 | 114.7 | |||||
| 590 | Q | 25.9 | Very low | 29.4 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | 100 | 140.6 | 77.2 | -81.9 | -166.2 | 79.6 | 0 | 0 | 117.6 | |||||
| 591 | L | 24.6 | Very low | 30 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | trans | 79.2 | 110.9 | 144.1 | -70.1 | 165.5 | 0 | 0 | 0 | 124.1 | ||||
| 592 | L | 23.4 | Very low | 29.8 | Very low | 144 Ų | 144 | 128 Ų | 128 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | 67.1 | 118.9 | 105.7 | -157.3 | 84.7 | 0 | 0 | 0 | 121.9 | |||||
| 593 | L | 25.8 | Very low | 30 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | -178.1 | 155.7 | 118.1 | -121.8 | 79.4 | 0 | 0 | 0 | 114 | |||||
| 594 | G | 21.3 | Very low | 30.1 | Very low | 57 Ų | 57 | 125.6 Ų | 125.6 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | trans | -116.4 | -150.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 595 | P | 46.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | cis | -135.1 | -142 | -6.9 | 43.1 | -24.1 | 0 | 0 | 0 | 112 | ||||
| 596 | Q | 26.7 | Very low | 30.8 | Very low | 179 Ų | 179 | 123.4 Ų | 123.4 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | 103.3 | 139 | 164.4 | -54.2 | -67.6 | 29.1 | 0 | 0 | 119 | ||||
| 597 | G | 28.9 | Very low | 32 | Very low | 65 Ų | 65 | 124.3 Ų | 124.3 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | trans | -128.2 | -150 | 161 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 598 | P | 45.5 | Very low | 32.1 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | cis | -140.1 | -176.2 | 3.2 | 42.2 | -24 | 0 | 0 | 0 | 116.1 | ||||
| 599 | S | 29.3 | Very low | 33 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | 99.9 | 127.2 | 136.8 | 80.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 600 | L | 33.1 | Very low | 33.4 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | 95.6 | 123.2 | 139 | -72.4 | 161 | 0 | 0 | 0 | 123.7 | ||||
| 601 | I | 35.6 | Very low | 34.5 | Very low | 147 Ų | 147 | 121.3 Ų | 121.3 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 76.3 | 101.2 | 147 | 63.8 | 170.9 | 0 | 0 | 0 | 124.3 | ||||
| 602 | K | 30.2 | Very low | 36 | Very low | 206 Ų | 206 | 119 Ų | 119 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | 78 | 120.5 | 115.2 | -166.2 | 179.2 | -175.1 | 179.1 | 0 | 118.4 | |||||
| 603 | G | 28 | Very low | 37.2 | Very low | 67 Ų | 67 | 118.1 Ų | 118.1 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | cis | 130.9 | 113.4 | -7.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 604 | V | 29.9 | Very low | 38.8 | Very low | 152 Ų | 152 | 115.9 Ų | 115.9 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -143.1 | 146.5 | 167.1 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 605 | A | 37.4 | Very low | 40.7 | Very low | 86 Ų | 86 | 115.7 Ų | 115.7 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 158.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 606 | P | 35.9 | Very low | 41.3 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 159.8 | 171.9 | 30.4 | -36.3 | 0 | 0 | 0 | 112.6 | ||
| 607 | P | 45 | Very low | 42.3 | Very low | 128 Ų | 128 | 110.9 Ų | 110.9 | 83% | 0.831 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 140.7 | -174.8 | 29.6 | -35.5 | 0 | 0 | 0 | 113.6 | ||
| 608 | T | 39 | Very low | 43.4 | Very low | 128 Ų | 128 | 113.9 Ų | 113.9 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 131.6 | 178.2 | -44.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 609 | L | 42.6 | Very low | 43.4 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 55% | 0.55 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 133 | 164.6 | -67 | 173.9 | 0 | 0 | 0 | 110 | V619 | L609-V619 HydrophobicContact CD2-CG2 3.92Š|
| 610 | I | 47.1 | Very low | 44 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 62% | 0.621 | 69% | 0.686 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 132.7 | 167.8 | -58.4 | 178.1 | 0 | 0 | 0 | 107.7 | L618 | I610-L618 PolarHBondContact O-N 3.26Å |
| 611 | T | 48.1 | Very low | 44.3 | Very low | 68 Ų | 68 | 114.2 Ų | 114.2 | 42% | 0.417 | 68% | 0.683 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.4 | 177.9 | -30.5 | 0 | 0 | 0 | 0 | 109 | T616 H617 | T611-T616 WeakPolarHBondContact CA-O 3.45Å; T611-H617 PolarHBondContact OG1-CE1 3.4Å; T611-H617 PolarHBondContact OG1-ND1 3.32Å |
| 612 | D | 56.7 | Low | 44.3 | Very low | 86 Ų | 86 | 112.7 Ų | 112.7 | 46% | 0.46 | 68% | 0.681 | S | S | . | * | trans | -70.8 | 159.5 | 167.3 | -172.9 | -87.2 | 0 | 0 | 0 | 110.6 | T614 G615 T616 | D612-T614 PolarHBondContact O-N 3.09Å; D612-T614 VanDerWaalsContact O-N 3.09Å; D612-T614 WeakPolarHBondContact OD1-CB 3.43Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.31Å; D612-T614 PolarHBondContact OD1-N 3.32Å; D612-T614 PolarHBondContact OD1-OG1 2.98Å; D612-G615 PolarHBondContact O-N 3.22Å; D612-T616 PolarHBondContact N-O 2.93Å | ||
| 613 | S | 47.6 | Very low | 44.6 | Very low | 126 Ų | 126 | 109 Ų | 109 | 88% | 0.881 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -15.6 | 173 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 614 | T | 60.3 | Low | 44.8 | Very low | 112 Ų | 112 | 112.8 Ų | 112.8 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 5.1 | 172.1 | 58 | 0 | 0 | 0 | 0 | 114.5 | D612 | D612-T614 PolarHBondContact O-N 3.09Å; D612-T614 VanDerWaalsContact O-N 3.09Å; D612-T614 WeakPolarHBondContact OD1-CB 3.43Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.31Å; D612-T614 PolarHBondContact OD1-N 3.32Å; D612-T614 PolarHBondContact OD1-OG1 2.98Å |
| 615 | G | 60.4 | Low | 45.1 | Very low | 52 Ų | 52 | 115 Ų | 115 | 54% | 0.536 | 68% | 0.677 | S | S | . | * | S | Bend | trans | 82.8 | 9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116 | D612 | D612-G615 PolarHBondContact O-N 3.22Š|
| 616 | T | 59.5 | Low | 44.8 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 49% | 0.491 | 68% | 0.684 | S | S | . | * | trans | -87.8 | 126.9 | 173.3 | 32.4 | 0 | 0 | 0 | 0 | 111.5 | T611 D612 | T611-T616 WeakPolarHBondContact CA-O 3.45Å; D612-T616 PolarHBondContact N-O 2.93Å | ||
| 617 | H | 48.6 | Very low | 44.7 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 54% | 0.537 | 69% | 0.685 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 122.9 | 171.1 | -63.9 | -77.5 | 0 | 0 | 0 | 110 | T611 | T611-H617 PolarHBondContact OG1-CE1 3.4Å; T611-H617 PolarHBondContact OG1-ND1 3.32Å |
| 618 | L | 51.6 | Low | 44.1 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 67% | 0.665 | 69% | 0.685 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.5 | 177.8 | -67.8 | 173.7 | 0 | 0 | 0 | 110.9 | I610 L620 | I610-L618 PolarHBondContact O-N 3.26Å; L618-L620 PolarHBondContact O-N 3.25Å |
| 619 | V | 44.9 | Very low | 44 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 66% | 0.655 | 68% | 0.679 | S | S | * | * | trans | -89.7 | 103.8 | 176.4 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | L609 T621 | L609-V619 HydrophobicContact CD2-CG2 3.92Å; V619-T621 HydrophobicContact CG1-CG2 4.39Å; V619-T621 PolarHBondContact O-N 3.21Å | ||
| 620 | L | 41.6 | Very low | 44.1 | Very low | 152 Ų | 152 | 118 Ų | 118 | 80% | 0.796 | 69% | 0.691 | S | S | * | * | trans | -81.6 | 90.3 | 179.5 | -80.5 | 157.7 | 0 | 0 | 0 | 112 | L618 V622 | L618-L620 PolarHBondContact O-N 3.25Å; L620-V622 PolarHBondContact O-N 3.35Å; L620-V622 VanDerWaalsContact O-N 3.14Å | ||
| 621 | T | 40.6 | Very low | 43.1 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -79.7 | 85.3 | 172.6 | 40.2 | 0 | 0 | 0 | 0 | 112.1 | V619 T623 | V619-T621 HydrophobicContact CG1-CG2 4.39Å; V619-T621 PolarHBondContact O-N 3.21Å; T621-T623 PolarHBondContact O-N 2.97Å; T621-T623 VanDerWaalsContact O-N 3.1Å | ||
| 622 | V | 36 | Very low | 42.2 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | trans | -67.7 | 106.8 | 175 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | L620 N624 | L620-V622 PolarHBondContact O-N 3.35Å; L620-V622 VanDerWaalsContact O-N 3.14Å; V622-N624 WeakPolarHBondContact CG1-OD1 3.5Å | ||
| 623 | T | 36.8 | Very low | 40.9 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -102.3 | 88.3 | 172.8 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | T621 K625 | T621-T623 PolarHBondContact O-N 2.97Å; T621-T623 VanDerWaalsContact O-N 3.1Å; T623-K625 PolarHBondContact O-N 2.8Å | ||
| 624 | N | 32.1 | Very low | 39.9 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | -68.2 | 124.2 | 174.9 | -78 | -11.4 | 0 | 0 | 0 | 111.4 | V622 | V622-N624 WeakPolarHBondContact CG1-OD1 3.5Š| ||
| 625 | K | 36.2 | Very low | 38.4 | Very low | 197 Ų | 197 | 120.2 Ų | 120.2 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | -145.4 | 128.2 | 153.5 | 52.5 | -177.1 | 174.7 | -178.4 | 0 | 111 | T623 | T623-K625 PolarHBondContact O-N 2.8Š| ||
| 626 | N | 29.8 | Very low | 36.9 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -66.3 | 129.4 | 179.4 | -63.5 | -24.7 | 0 | 0 | 0 | 109 | ||||
| 627 | A | 34 | Very low | 36.2 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | 92.1 | 111.6 | 71 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 628 | D | 31.7 | Very low | 35.3 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | -146 | -169.8 | 127 | -144.5 | -49.9 | 0 | 0 | 0 | 108.3 | |||||
| 629 | S | 38 | Very low | 34.2 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | -138.1 | -169.9 | -144.8 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 630 | P | 43.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -128.2 | 176.9 | -53.9 | 32.1 | -15.6 | 0 | 0 | 0 | 113.4 | |||||
| 631 | G | 27 | Very low | 33 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 133.3 | 97.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 632 | L | 29.3 | Very low | 32.5 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | cis | 99 | 137.3 | 46.5 | -73.9 | 179.1 | 0 | 0 | 0 | 113.9 | ||||
| 633 | S | 28.4 | Very low | 32.3 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 64.6 | 123.4 | -179.9 | -72.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 634 | S | 26.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | cis | 87.9 | 129.2 | 38.9 | -170.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 635 | G | 29.3 | Very low | 32.4 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 151.7 | 104.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 636 | S | 28.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -157.9 | 155 | 166.9 | -175.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 637 | P | 46.7 | Very low | 33 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -126.7 | -158.8 | -5 | 23.7 | 1.7 | 0 | 0 | 0 | 112.6 | ||||
| 638 | Q | 28 | Very low | 32.8 | Very low | 190 Ų | 190 | 122.5 Ų | 122.5 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 111 | 148.7 | 148.4 | -64.3 | -164.6 | -22.2 | 0 | 0 | 121.1 | ||||
| 639 | Q | 28.8 | Very low | 33.5 | Very low | 180 Ų | 180 | 121.2 Ų | 121.2 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -89.7 | 167 | 175.4 | -129.9 | -179.6 | -3.9 | 0 | 0 | 109.9 | ||||
| 640 | P | 36.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -153.4 | -164.5 | 76.2 | 40.7 | -18.6 | 0 | 0 | 0 | 116.5 | |||||
| 641 | S | 25.6 | Very low | 33.4 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -85.2 | 157.1 | -171 | 165.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 642 | S | 29.8 | Very low | 33.6 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 160.5 | 128.6 | 111.1 | -66.3 | 0 | 0 | 0 | 0 | 118 | |||||
| 643 | Q | 31.1 | Very low | 33.8 | Very low | 182 Ų | 182 | 119.5 Ų | 119.5 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 57.7 | 177.9 | 146.7 | -97.7 | -169 | -28.4 | 0 | 0 | 120.3 | ||||
| 644 | P | 43.9 | Very low | 33.9 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | cis | -100.5 | -157.8 | 2.1 | 44.5 | -36.8 | 0 | 0 | 0 | 113 | ||||
| 645 | G | 26.6 | Very low | 34.1 | Very low | 61 Ų | 61 | 124.1 Ų | 124.1 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | cis | -175.8 | -168.5 | 4.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 646 | S | 31.6 | Very low | 33.9 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -150.2 | 166.8 | 177.1 | -46.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 647 | P | 47.3 | Very low | 34.1 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | -147.5 | -177.7 | 76 | 39.2 | -19.2 | 0 | 0 | 0 | 116.5 | |||||
| 648 | A | 30.4 | Very low | 33.2 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -111.3 | -162.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 649 | P | 46.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | cis | -139.7 | -162.1 | 23.7 | 42.8 | -20.1 | 0 | 0 | 0 | 116.8 | ||||
| 650 | A | 29.2 | Very low | 34.1 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -101.6 | -152.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 651 | P | 50.6 | Low | 33.6 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | cis | -144.3 | 170.3 | 13.1 | 44.4 | -23.4 | 0 | 0 | 0 | 120.6 | ||||
| 652 | S | 31.2 | Very low | 33.6 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 33.7 | 134.6 | 143.9 | -50.9 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 653 | A | 33.8 | Very low | 34.8 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 164.4 | 130.1 | 93.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 654 | Q | 30.1 | Very low | 34.6 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | 57.5 | 135.5 | 138.8 | -167.5 | 177.6 | -29.2 | 0 | 0 | 123.7 | ||||
| 655 | M | 30.3 | Very low | 33.8 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | 168.4 | 169.6 | 128.7 | -84.4 | -52.8 | 175.7 | 0 | 0 | 111.5 | |||||
| 656 | D | 26.3 | Very low | 33.8 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -128.6 | 172.2 | -163.9 | 175.9 | 46.6 | 0 | 0 | 0 | 114.1 | ||||
| 657 | L | 32.7 | Very low | 33.7 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | trans | 121.2 | 120.6 | 143.2 | -156.6 | 69.8 | 0 | 0 | 0 | 120.4 | ||||
| 658 | E | 27.4 | Very low | 33.5 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | 58.7 | 123.5 | 150.3 | -71.1 | -79.2 | 71.7 | 0 | 0 | 125.8 | ||||
| 659 | H | 28.6 | Very low | 33.4 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | 13.8 | 171.7 | 122.5 | -78.7 | -24.4 | 0 | 0 | 0 | 124.4 | |||||
| 660 | P | 46.8 | Very low | 32.8 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | cis | -134.8 | -179.4 | -7.4 | 35.4 | -16.1 | 0 | 0 | 0 | 115.8 | ||||
| 661 | L | 26.6 | Very low | 33 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | 179.9 | 160.3 | 118.1 | -95.9 | 173.8 | 0 | 0 | 0 | 114.2 | |||||
| 662 | Q | 26.1 | Very low | 32.2 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -142.8 | 170 | -172.4 | -93.3 | -91.5 | -39.4 | 0 | 0 | 111.6 | ||||
| 663 | P | 54.4 | Low | 32.3 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -103 | 176.1 | -154.1 | 40.4 | -37.8 | 0 | 0 | 0 | 116.7 | ||||
| 664 | L | 25.9 | Very low | 32.5 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -151.7 | 121.3 | 173.6 | -151.9 | 76.5 | 0 | 0 | 0 | 115.9 | ||||
| 665 | F | 27.2 | Very low | 32.8 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | 25.6 | 143.8 | 148 | -67.1 | -108.4 | 0 | 0 | 0 | 124.3 | ||||
| 666 | G | 26.6 | Very low | 33.3 | Very low | 80 Ų | 80 | 147.6 Ų | 147.6 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 174.5 | 116.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 667 | T | 30.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -105.7 | 175.5 | 167.9 | 25.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 668 | P | 42.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | cis | -154.9 | -171.6 | 35.6 | 45.9 | -22.3 | 0 | 0 | 0 | 120.4 | ||||
| 669 | T | 28.9 | Very low | 35.4 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -22.6 | 152.1 | 165 | 57.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 670 | S | 34.1 | Very low | 36.5 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | -170.9 | 159.3 | 111.7 | -157.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 671 | L | 33.3 | Very low | 36.8 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 149.8 | -173.8 | -119.2 | 160.2 | 0 | 0 | 0 | 116.5 | ||||
| 672 | L | 31.8 | Very low | 37.7 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -164.8 | 166.5 | 134.6 | -114.8 | 171.7 | 0 | 0 | 0 | 113.2 | ||||
| 673 | K | 34.8 | Very low | 38.5 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -120.5 | 143.6 | -176.5 | -67.1 | 179.8 | 176.3 | -179.1 | 0 | 112.7 | ||||
| 674 | K | 36.6 | Very low | 38.3 | Very low | 211 Ų | 211 | 140.6 Ų | 140.6 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -154.8 | 166.3 | 152.4 | -154.2 | 77.1 | -177.1 | -168.7 | 0 | 110.2 | ||||
| 675 | E | 36.5 | Very low | 38.9 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 154.6 | -169.3 | -174.4 | 178.2 | -176.3 | 0 | 0 | 112 | ||
| 676 | P | 40.7 | Very low | 39.2 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 159.8 | 174 | 30.7 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 677 | P | 48.8 | Very low | 39.9 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 158.2 | -173.5 | -20.7 | 34.3 | 0 | 0 | 0 | 115.7 | ||
| 678 | G | 45 | Very low | 39.7 | Very low | 57 Ų | 57 | 145.5 Ų | 145.5 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 161.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | E680 E681 | G678-E680 VanDerWaalsContact C-N 3.29Å; G678-E680 PolarHBondContact O-N 2.76Å; G678-E680 VanDerWaalsContact O-N 3.12Å; G678-E681 PolarHBondContact O-N 3.32Å |
| 679 | Y | 37.3 | Very low | 39.6 | Very low | 210 Ų | 210 | 149.7 Ų | 149.7 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -60.1 | -20.9 | -169.5 | 179.2 | -101.8 | 0 | 0 | 0 | 116.5 | E681 | Y679-E681 PolarHBondContact O-N 2.73Š|
| 680 | E | 51.8 | Low | 39.7 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -72 | -25 | -179.4 | -67.6 | -162.6 | 133.4 | 0 | 0 | 114.2 | G678 A682 M683 | G678-E680 VanDerWaalsContact C-N 3.29Å; G678-E680 PolarHBondContact O-N 2.76Å; G678-E680 VanDerWaalsContact O-N 3.12Å; E680-A682 PolarHBondContact O-N 3.09Å; E680-A682 VanDerWaalsContact O-N 3.14Å; E680-M683 WeakPolarHBondContact O-CG 3.17Å; E680-M683 PolarHBondContact O-N 2.59Å |
| 681 | E | 52.5 | Low | 39.8 | Very low | 152 Ų | 152 | 153 Ų | 153 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -69.6 | -14.8 | -174.6 | -161.7 | 164.7 | -158.8 | 0 | 0 | 112.9 | G678 Y679 | G678-E681 PolarHBondContact O-N 3.32Å; Y679-E681 PolarHBondContact O-N 2.73Å |
| 682 | A | 47 | Very low | 40 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -81.7 | -11.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E680 | E680-A682 PolarHBondContact O-N 3.09Å; E680-A682 VanDerWaalsContact O-N 3.14Å |
| 683 | M | 42.1 | Very low | 40.8 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -112.8 | 20.2 | -169.3 | 72.4 | 177.7 | -156.8 | 0 | 0 | 115.6 | E680 | E680-M683 WeakPolarHBondContact O-CG 3.17Å; E680-M683 PolarHBondContact O-N 2.59Å |
| 684 | S | 49.9 | Very low | 41.7 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -151.6 | 61.6 | 176.3 | -77.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 685 | Q | 39.8 | Very low | 42.5 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | -135.5 | 103.5 | 168.1 | -76.1 | -69.2 | 0.9 | 0 | 0 | 112 | ||||
| 686 | Q | 33.1 | Very low | 43.6 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | trans | -155.7 | 151.1 | 166.2 | -131.9 | -160 | -9.3 | 0 | 0 | 107.7 | ||||
| 687 | P | 40.4 | Very low | 45.1 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | cis | -125.7 | 165.5 | -10.4 | 40.4 | -27.5 | 0 | 0 | 0 | 113.9 | ||||
| 688 | K | 28.1 | Very low | 46.3 | Very low | 210 Ų | 210 | 134.7 Ų | 134.7 | 91% | 0.913 | 72% | 0.72 | S | S | * | * | trans | -166.6 | 130.1 | 140.4 | -111.1 | 167.9 | -175.3 | -179.5 | 0 | 110.6 | ||||
| 689 | Q | 38.2 | Very low | 47.9 | Very low | 203 Ų | 203 | 137 Ų | 137 | 95% | 0.949 | 72% | 0.717 | S | S | * | * | trans | -98.8 | 114.4 | 176.5 | -75 | 175.9 | -44.7 | 0 | 0 | 110.5 | ||||
| 690 | Q | 32 | Very low | 49.9 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -168.6 | 132.1 | 160.8 | -160.6 | 171.2 | -6.3 | 0 | 0 | 106.2 | ||||
| 691 | E | 36.7 | Very low | 51.6 | Low | 156 Ų | 156 | 126.5 Ų | 126.5 | 73% | 0.729 | 68% | 0.68 | S | S | * | * | cis | -159.9 | 135.5 | -5.6 | 159.1 | -179 | 159.1 | 0 | 0 | 107.6 | ||||
| 692 | N | 36.5 | Very low | 53.2 | Low | 150 Ų | 150 | 123.2 Ų | 123.2 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | trans | -157.8 | 56.1 | 176.1 | -138.8 | 4 | 0 | 0 | 0 | 110.6 | S694 | N692-S694 VanDerWaalsContact C-N 3.27Å; N692-S694 PolarHBondContact O-N 3.23Å; N692-S694 VanDerWaalsContact O-N 3.15Å | ||
| 693 | G | 49.3 | Very low | 54.6 | Low | 48 Ų | 48 | 124.2 Ų | 124.2 | 50% | 0.495 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -24.9 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S695 S696 Q697 | G693-S695 PolarHBondContact O-N 3.29Å; G693-S696 PolarHBondContact O-N 3.05Å; G693-Q697 PolarHBondContact O-N 3.06Å; G693-Q697 VanDerWaalsContact O-N 3.16Å |
| 694 | S | 53.5 | Low | 56.6 | Low | 101 Ų | 101 | 122.6 Ų | 122.6 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.1 | -21.2 | -169.2 | -46.4 | 0 | 0 | 0 | 0 | 115.3 | N692 | N692-S694 VanDerWaalsContact C-N 3.27Å; N692-S694 PolarHBondContact O-N 3.23Å; N692-S694 VanDerWaalsContact O-N 3.15Å |
| 695 | S | 52.4 | Low | 58.4 | Low | 100 Ų | 100 | 122.6 Ų | 122.6 | 70% | 0.699 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -93.9 | -18.1 | -178.4 | -168.2 | 0 | 0 | 0 | 0 | 114.6 | G693 | G693-S695 PolarHBondContact O-N 3.29Å |
| 696 | S | 60.8 | Low | 60.5 | Low | 70 Ų | 70 | 117 Ų | 117 | 49% | 0.49 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -85.2 | -49 | 169.3 | -163.5 | 0 | 0 | 0 | 0 | 108.9 | G693 Q698 M699 D700 | G693-S696 PolarHBondContact O-N 3.05Å; S696-Q698 PolarHBondContact O-N 3.27Å; S696-Q698 VanDerWaalsContact O-N 3.08Å; S696-M699 WeakPolarHBondContact O-CA 3.36Å; S696-M699 WeakPolarHBondContact O-CB 3.3Å; S696-M699 PolarHBondContact O-N 3.46Å; S696-D700 WeakPolarHBondContact CB-OD2 3.25Å; S696-D700 PolarHBondContact O-N 2.96Å; S696-D700 PolarHBondContact OG-OD2 2.92Å |
| 697 | Q | 71.3 | Confident | 63 | Low | 106 Ų | 106 | 111.5 Ų | 111.5 | 50% | 0.495 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -51.7 | -41.4 | -175.6 | -163.7 | 66 | 59 | 0 | 0 | 112.3 | G693 M699 D700 D701 | G693-Q697 PolarHBondContact O-N 3.06Å; G693-Q697 VanDerWaalsContact O-N 3.16Å; Q697-M699 VanDerWaalsContact C-N 3.26Å; Q697-M699 PolarHBondContact O-N 3.38Å; Q697-D700 PolarHBondContact O-N 3.15Å; Q697-D701 PolarHBondContact NE2-OD1 3.35Å; Q697-D701 VanDerWaalsContact O-CB 3.22Å; Q697-D701 WeakPolarHBondContact O-CB 3.32Å; Q697-D701 PolarHBondContact O-N 3.19Å |
| 698 | Q | 73.6 | Confident | 64.6 | Low | 138 Ų | 138 | 114.9 Ų | 114.9 | 65% | 0.645 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.4 | -26.8 | 177.5 | -168.2 | -175.3 | -30.2 | 0 | 0 | 114.2 | S696 L702 | S696-Q698 PolarHBondContact O-N 3.27Å; S696-Q698 VanDerWaalsContact O-N 3.08Å; Q698-L702 WeakPolarHBondContact O-CD1 3.46Å; Q698-L702 VanDerWaalsContact O-CG 3.27Å; Q698-L702 WeakPolarHBondContact O-CG 3.39Å |
| 699 | M | 79.7 | Confident | 66.8 | Low | 105 Ų | 105 | 108.3 Ų | 108.3 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -84.9 | -39.5 | 173.3 | -69.2 | -63.9 | -57.8 | 0 | 0 | 111.6 | S696 Q697 L702 F703 | S696-M699 WeakPolarHBondContact O-CA 3.36Å; S696-M699 WeakPolarHBondContact O-CB 3.3Å; S696-M699 PolarHBondContact O-N 3.46Å; Q697-M699 VanDerWaalsContact C-N 3.26Å; Q697-M699 PolarHBondContact O-N 3.38Å; M699-L702 WeakPolarHBondContact O-CB 3.31Å; M699-L702 PolarHBondContact O-N 3.2Å; M699-L702 HydrophobicContact SD-CD1 4.37Å; M699-F703 VanDerWaalsContact O-CD2 3.23Å; M699-F703 WeakPolarHBondContact O-CD2 3.3Å; M699-F703 PolarHBondContact O-N 3.28Å |
| 700 | D | 80 | Confident | 68.3 | Low | 71 Ų | 71 | 101.6 Ų | 101.6 | 38% | 0.38 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.6 | -44.8 | 177.5 | -60.1 | -53.6 | 0 | 0 | 0 | 110.6 | S696 Q697 L702 F703 D704 | S696-D700 WeakPolarHBondContact CB-OD2 3.25Å; S696-D700 PolarHBondContact O-N 2.96Å; S696-D700 PolarHBondContact OG-OD2 2.92Å; Q697-D700 PolarHBondContact O-N 3.15Å; D700-L702 PolarHBondContact O-N 3.41Å; D700-F703 PolarHBondContact O-N 3.4Å; D700-D704 PolarHBondContact O-N 2.87Å |
| 701 | D | 86.1 | Confident | 70.1 | Confident | 72 Ų | 72 | 100.5 Ų | 100.5 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -56.5 | -35.3 | 172.1 | -67.1 | -8.8 | 0 | 0 | 0 | 112.1 | Q697 I705 | Q697-D701 PolarHBondContact NE2-OD1 3.35Å; Q697-D701 VanDerWaalsContact O-CB 3.22Å; Q697-D701 WeakPolarHBondContact O-CB 3.32Å; Q697-D701 PolarHBondContact O-N 3.19Å; D701-I705 WeakPolarHBondContact O-CB 3.33Å; D701-I705 WeakPolarHBondContact O-CD1 3.47Å; D701-I705 WeakPolarHBondContact O-CG1 3.39Å; D701-I705 PolarHBondContact O-N 2.74Å |
| 702 | L | 86.6 | Confident | 71.4 | Confident | 83 Ų | 83 | 96.4 Ų | 96.4 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.7 | -35.2 | 176.6 | -77.2 | 169.3 | 0 | 0 | 0 | 112.1 | Q698 M699 D700 L706 | Q698-L702 WeakPolarHBondContact O-CD1 3.46Å; Q698-L702 VanDerWaalsContact O-CG 3.27Å; Q698-L702 WeakPolarHBondContact O-CG 3.39Å; M699-L702 WeakPolarHBondContact O-CB 3.31Å; M699-L702 PolarHBondContact O-N 3.2Å; M699-L702 HydrophobicContact SD-CD1 4.37Å; D700-L702 PolarHBondContact O-N 3.41Å; L702-L706 WeakPolarHBondContact O-CD1 3.32Å; L702-L706 PolarHBondContact O-N 2.8Å; L702-L706 VanDerWaalsContact O-N 3.11Å |
| 703 | F | 75.8 | Confident | 72.4 | Confident | 117 Ų | 117 | 94.2 Ų | 94.2 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 172.3 | -75.8 | -69.1 | 0 | 0 | 0 | 111.5 | M699 D700 I705 L706 I707 I712 | M699-F703 VanDerWaalsContact O-CD2 3.23Å; M699-F703 WeakPolarHBondContact O-CD2 3.3Å; M699-F703 PolarHBondContact O-N 3.28Å; D700-F703 PolarHBondContact O-N 3.4Å; F703-I705 VanDerWaalsContact C-N 3.32Å; F703-I705 PolarHBondContact O-N 2.99Å; F703-L706 PolarHBondContact O-N 2.87Å; F703-L706 VanDerWaalsContact O-N 3.11Å; F703-I707 VanDerWaalsContact O-CG1 3.31Å; F703-I707 WeakPolarHBondContact O-CG1 3.48Å; F703-I707 PolarHBondContact O-N 3.14Å; F703-I712 HydrophobicContact CD1-CD1 4.33Å |
| 704 | D | 84 | Confident | 72.5 | Confident | 98 Ų | 98 | 95.7 Ų | 95.7 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 175.3 | -81.5 | -17.2 | 0 | 0 | 0 | 111.9 | D700 I707 Q708 | D700-D704 PolarHBondContact O-N 2.87Å; D704-I707 PolarHBondContact O-N 3.1Å; D704-Q708 VanDerWaalsContact O-CB 3.23Å; D704-Q708 WeakPolarHBondContact O-CB 3.25Å; D704-Q708 PolarHBondContact O-N 3.32Å |
| 705 | I | 88.1 | Confident | 72.5 | Confident | 102 Ų | 102 | 98 Ų | 98 | 52% | 0.523 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 171.9 | -73.5 | 163.5 | 0 | 0 | 0 | 111.7 | D701 F703 Q708 S709 | D701-I705 WeakPolarHBondContact O-CB 3.33Å; D701-I705 WeakPolarHBondContact O-CD1 3.47Å; D701-I705 WeakPolarHBondContact O-CG1 3.39Å; D701-I705 PolarHBondContact O-N 2.74Å; F703-I705 VanDerWaalsContact C-N 3.32Å; F703-I705 PolarHBondContact O-N 2.99Å; I705-Q708 PolarHBondContact O-N 2.86Å; I705-S709 WeakPolarHBondContact O-CB 3.3Å; I705-S709 PolarHBondContact O-N 3.34Å; I705-S709 PolarHBondContact O-OG 3.2Å |
| 706 | L | 84.6 | Confident | 72.1 | Confident | 62 Ų | 62 | 103.4 Ų | 103.4 | 33% | 0.325 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.9 | -30.5 | 176.9 | -100.5 | 71 | 0 | 0 | 0 | 113.4 | L702 F703 S709 E711 I712 | L702-L706 WeakPolarHBondContact O-CD1 3.32Å; L702-L706 PolarHBondContact O-N 2.8Å; L702-L706 VanDerWaalsContact O-N 3.11Å; F703-L706 PolarHBondContact O-N 2.87Å; F703-L706 VanDerWaalsContact O-N 3.11Å; L706-S709 WeakPolarHBondContact CA-OG 3.2Å; L706-S709 PolarHBondContact O-OG 3.02Å; L706-S709 VanDerWaalsContact O-OG 3.07Å; L706-E711 PolarHBondContact O-N 3.13Å; L706-E711 VanDerWaalsContact O-N 3.07Å; L706-I712 HydrophobicContact CB-CD1 3.98Å; L706-I712 HydrophobicContact CB-CG1 4.1Å; L706-I712 HydrophobicContact CD2-CG2 4.46Å; L706-I712 PolarHBondContact O-N 3.33Å |
| 707 | I | 86.2 | Confident | 71.1 | Confident | 71 Ų | 71 | 108.7 Ų | 108.7 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.9 | -44.1 | 171.9 | -67.2 | 163.2 | 0 | 0 | 0 | 109.4 | F703 D704 G710 I712 | F703-I707 VanDerWaalsContact O-CG1 3.31Å; F703-I707 WeakPolarHBondContact O-CG1 3.48Å; F703-I707 PolarHBondContact O-N 3.14Å; D704-I707 PolarHBondContact O-N 3.1Å; I707-G710 PolarHBondContact O-N 3.35Å; I707-G710 VanDerWaalsContact O-N 3.08Å; I707-I712 HydrophobicContact CG1-CD1 3.93Å; I707-I712 HydrophobicContact CG1-CG1 3.75Å |
| 708 | Q | 74.1 | Confident | 69.3 | Low | 177 Ų | 177 | 110.9 Ų | 110.9 | 83% | 0.827 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.7 | -21.1 | -176.4 | -167.5 | 153.9 | 22.6 | 0 | 0 | 113.8 | D704 I705 | D704-Q708 VanDerWaalsContact O-CB 3.23Å; D704-Q708 WeakPolarHBondContact O-CB 3.25Å; D704-Q708 PolarHBondContact O-N 3.32Å; I705-Q708 PolarHBondContact O-N 2.86Å |
| 709 | S | 73.9 | Confident | 67.6 | Low | 72 Ų | 72 | 110 Ų | 110 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.3 | -13 | 164.6 | 69.9 | 0 | 0 | 0 | 0 | 113 | I705 L706 E711 | I705-S709 WeakPolarHBondContact O-CB 3.3Å; I705-S709 PolarHBondContact O-N 3.34Å; I705-S709 PolarHBondContact O-OG 3.2Å; L706-S709 WeakPolarHBondContact CA-OG 3.2Å; L706-S709 PolarHBondContact O-OG 3.02Å; L706-S709 VanDerWaalsContact O-OG 3.07Å; S709-E711 VanDerWaalsContact C-N 3.28Å; S709-E711 VanDerWaalsContact OG-CB 3.3Å; S709-E711 WeakPolarHBondContact OG-CB 3.36Å; S709-E711 PolarHBondContact OG-N 2.87Å |
| 710 | G | 68.5 | Low | 65.6 | Low | 62 Ų | 62 | 111.2 Ų | 111.2 | 64% | 0.639 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.5 | 14.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | I707 | I707-G710 PolarHBondContact O-N 3.35Å; I707-G710 VanDerWaalsContact O-N 3.08Å |
| 711 | E | 70.3 | Confident | 63.1 | Low | 149 Ų | 149 | 113.3 Ų | 113.3 | 70% | 0.696 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -80.2 | -23.4 | -177.7 | -166.9 | 166 | -173.4 | 0 | 0 | 112.5 | L706 S709 | L706-E711 PolarHBondContact O-N 3.13Å; L706-E711 VanDerWaalsContact O-N 3.07Å; S709-E711 VanDerWaalsContact C-N 3.28Å; S709-E711 VanDerWaalsContact OG-CB 3.3Å; S709-E711 WeakPolarHBondContact OG-CB 3.36Å; S709-E711 PolarHBondContact OG-N 2.87Å |
| 712 | I | 65.1 | Low | 60.5 | Low | 70 Ų | 70 | 118.2 Ų | 118.2 | 36% | 0.359 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -128.8 | 141 | 167.9 | 66.3 | -177.9 | 0 | 0 | 0 | 112.3 | F703 L706 I707 | F703-I712 HydrophobicContact CD1-CD1 4.33Å; L706-I712 HydrophobicContact CB-CD1 3.98Å; L706-I712 HydrophobicContact CB-CG1 4.1Å; L706-I712 HydrophobicContact CD2-CG2 4.46Å; L706-I712 PolarHBondContact O-N 3.33Å; I707-I712 HydrophobicContact CG1-CD1 3.93Å; I707-I712 HydrophobicContact CG1-CG1 3.75Å |
| 713 | S | 55.7 | Low | 58 | Low | 104 Ų | 104 | 120.1 Ų | 120.1 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -78.3 | 140.6 | 171.5 | -59.4 | 0 | 0 | 0 | 0 | 111 | D715 | S713-D715 PolarHBondContact O-N 3.04Š| ||
| 714 | A | 52.7 | Low | 55.7 | Low | 79 Ų | 79 | 118 Ų | 118 | 65% | 0.653 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -70 | 7.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 715 | D | 53.1 | Low | 53.3 | Low | 151 Ų | 151 | 122 Ų | 122 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | -102 | 38.2 | -172.1 | -77.3 | -68.7 | 0 | 0 | 0 | 114.1 | S713 | S713-D715 PolarHBondContact O-N 3.04Š| ||
| 716 | F | 43.7 | Very low | 50.5 | Low | 212 Ų | 212 | 124.4 Ų | 124.4 | 93% | 0.93 | 70% | 0.702 | S | S | * | * | trans | -100.2 | 79.8 | 172.1 | -109.6 | -87.4 | 0 | 0 | 0 | 112.7 | ||||
| 717 | K | 40.1 | Very low | 47.9 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -97.6 | 106.2 | 178.7 | -165.7 | 75.3 | 175 | 179.8 | 0 | 111.7 | ||||
| 718 | E | 34.7 | Very low | 45.8 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | trans | 29.8 | 120 | 144.5 | -166.8 | 174.3 | -165.1 | 0 | 0 | 119.8 | ||||
| 719 | P | 36.2 | Very low | 43.6 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 134.9 | 176.2 | 32 | -34 | 0 | 0 | 0 | 112.7 | ||
| 720 | P | 38 | Very low | 42.2 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -78 | 136.9 | -178.1 | 30.8 | -34.8 | 0 | 0 | 0 | 112.9 | ||
| 721 | S | 28.7 | Very low | 40.3 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 157.7 | 168.7 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | P723 | S721-P723 WeakPolarHBondContact O-CD 3.23Š|
| 722 | L | 30.1 | Very low | 38.2 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 131.3 | -164.3 | -64.7 | 165.6 | 0 | 0 | 0 | 114.6 | ||
| 723 | P | 35.2 | Very low | 36.4 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 145.4 | 146.6 | 35 | -29.8 | 0 | 0 | 0 | 110.8 | S721 | S721-P723 WeakPolarHBondContact O-CD 3.23Š|
| 724 | G | 27.6 | Very low | 34.9 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 168.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 725 | K | 32.9 | Very low | 33.7 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | 84.8 | 134.3 | 168.9 | -74.2 | 178.8 | 151.5 | -120.6 | 0 | 120.3 | ||||
| 726 | E | 28.9 | Very low | 32.6 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | trans | 78.1 | 75.5 | 141.8 | -70.8 | 155.3 | -150.9 | 0 | 0 | 121.3 | ||||
| 727 | K | 31.3 | Very low | 32.7 | Very low | 198 Ų | 198 | 135 Ų | 135 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | 27.7 | 139.5 | 113.3 | -179.8 | 177.9 | -178.6 | -179.9 | 0 | 118.6 | |||||
| 728 | P | 40.7 | Very low | 32 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -133.5 | -171.7 | 19.1 | 30.4 | -6.5 | 0 | 0 | 0 | 116.6 | ||||
| 729 | S | 28.9 | Very low | 31.7 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -85 | 170.1 | 173.4 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 730 | P | 43.8 | Very low | 31.2 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | -151.9 | 154 | 83.9 | 39.4 | -20.6 | 0 | 0 | 0 | 119 | |||||
| 731 | K | 28.5 | Very low | 30.8 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | 21.2 | 145.7 | 139.7 | -46.7 | 172.7 | -176.5 | 177.8 | 0 | 121.4 | ||||
| 732 | T | 26.8 | Very low | 31.2 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | 156.4 | 109.4 | 111 | -67.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 733 | V | 26.4 | Very low | 31.1 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | 75.1 | 150.7 | 136.4 | 173.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 734 | C | 25.6 | Very low | 31.9 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -50.9 | 169.4 | -176.8 | -43.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 735 | G | 27.4 | Very low | 31.8 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 160.6 | 112 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 736 | S | 30.2 | Very low | 31.7 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -83.3 | 161.6 | 159 | -47.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 737 | P | 44.3 | Very low | 31.6 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -153.1 | 169.1 | 99.3 | 39 | -20.5 | 0 | 0 | 0 | 118.8 | |||||
| 738 | L | 26.8 | Very low | 31.5 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -39.2 | 148.5 | 171.4 | -108 | 64.3 | 0 | 0 | 0 | 122.7 | ||||
| 739 | A | 28.1 | Very low | 31.9 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | 95.5 | 152.6 | 117.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 740 | A | 26 | Very low | 31.8 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | 113.1 | 94 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 741 | Q | 29.2 | Very low | 31 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 170.5 | 159.8 | -78.9 | -82 | -27.9 | 0 | 0 | 114.4 | ||||
| 742 | P | 37.3 | Very low | 31.1 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | -150.9 | 162 | 91.6 | 38.9 | -20.2 | 0 | 0 | 0 | 119.1 | |||||
| 743 | S | 28.3 | Very low | 32.3 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -96.8 | -175.3 | 171.7 | -39.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 744 | P | 51.8 | Low | 32.9 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | -147.6 | -170.2 | 77.9 | 41.7 | -20.9 | 0 | 0 | 0 | 113.9 | |||||
| 745 | S | 25.9 | Very low | 33.8 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | cis | -161.9 | 167.4 | 19 | -149.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 746 | A | 30.5 | Very low | 34.8 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | 66.1 | 124 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 747 | E | 25.8 | Very low | 34.6 | Very low | 174 Ų | 174 | 123.3 Ų | 123.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | cis | 87.5 | 120 | 20.3 | -145.7 | -174.7 | 129.8 | 0 | 0 | 113.8 | ||||
| 748 | L | 29.3 | Very low | 33.8 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | -141 | -177.9 | 52.8 | -108.2 | 94.7 | 0 | 0 | 0 | 114.6 | |||||
| 749 | P | 48.1 | Very low | 34.3 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | trans | -132.7 | -170 | -140.3 | 47.8 | -36.1 | 0 | 0 | 0 | 120.5 | ||||
| 750 | Q | 27.4 | Very low | 34.3 | Very low | 198 Ų | 198 | 122.6 Ų | 122.6 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | 102.4 | 151.6 | 161.8 | -71.9 | -176 | -11.2 | 0 | 0 | 119.9 | ||||
| 751 | A | 27.6 | Very low | 34.8 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -116.1 | 169 | -161.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 752 | A | 29.6 | Very low | 35.5 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | cis | -157.3 | -174.9 | 45.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 753 | P | 51.8 | Low | 35.4 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -92.7 | 162.8 | -159 | 40.2 | -39.7 | 0 | 0 | 0 | 116 | ||||
| 754 | P | 39.1 | Very low | 36.3 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | -148.8 | -172.1 | 87 | 40.6 | -20 | 0 | 0 | 0 | 114.8 | |||||
| 755 | P | 45.8 | Very low | 36.1 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -106.2 | -170.2 | -170.8 | 41.4 | -34.1 | 0 | 0 | 0 | 114.6 | ||||
| 756 | P | 48.6 | Very low | 37.6 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -128.4 | 168.5 | -52.9 | 37.7 | -23.2 | 0 | 0 | 0 | 113.7 | |||||
| 757 | G | 26.2 | Very low | 38.7 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -176.9 | 125.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 758 | S | 25.7 | Very low | 40 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 41.6 | 123.5 | 155.7 | 62.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 759 | P | 37.2 | Very low | 41.1 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -99.2 | 156.6 | 146.4 | 36.9 | -29.9 | 0 | 0 | 0 | 112.1 | ||||
| 760 | S | 28.4 | Very low | 41.5 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -121.4 | 152 | 172.9 | 55.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 761 | L | 37.1 | Very low | 42.8 | Very low | 171 Ų | 171 | 123 Ų | 123 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | trans | -117.1 | 144 | -174.9 | -67 | 170.4 | 0 | 0 | 0 | 111.5 | ||||
| 762 | P | 44 | Very low | 43.6 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 84% | 0.844 | 75% | 0.749 | S | S | * | * | trans | -87.9 | 144.3 | 163.6 | 35.1 | -31.3 | 0 | 0 | 0 | 111.3 | ||||
| 763 | G | 35.3 | Very low | 44.8 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | trans | 153.2 | 81.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 764 | R | 48.2 | Very low | 44.5 | Very low | 186 Ų | 186 | 121 Ų | 121 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | trans | -105 | 147.2 | -169.5 | -161.3 | 168.6 | 149.4 | -137.6 | -3.2 | 110.9 | E766 | R764-E766 HydrophobicContact CB-CG 4.07Å; R764-E766 WeakPolarHBondContact CD-OE1 3.43Å; R764-E766 HydrophobicContact CG-CG 3.71Å; R764-E766 IonicContact CZ-OE1 3.93Å; R764-E766 IonicContact CZ-OE2 3.95Å; R764-E766 VanDerWaalsContact NE-CD 3.35Å; R764-E766 IonicContact NE-OE1 2.66Å; R764-E766 PolarHBondContact NE-OE1 3.36Å; R764-E766 IonicContact NE-OE2 4Å; R764-E766 PolarHBondContact NE-OE2 3.15Å; R764-E766 IonicContact NH1-OE1 2.69Å; R764-E766 PolarHBondContact NH1-OE1 3.37Å; R764-E766 IonicContact NH1-OE2 2.67Å; R764-E766 PolarHBondContact NH1-OE2 3.26Å; R764-E766 IonicContact NH2-OE1 2.65Å; R764-E766 IonicContact NH2-OE2 3.66Å; R764-E766 PolarHBondContact NH2-OE2 3.29Å; R764-E766 PolarHBondContact O-N 3.4Å | ||
| 765 | L | 46.6 | Very low | 44.6 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -75.4 | 21.6 | -166.9 | -161.1 | 66.5 | 0 | 0 | 0 | 114.7 | ||
| 766 | E | 57.1 | Low | 44.3 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 37% | 0.369 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -84.6 | -58.2 | -165.3 | -42.5 | -173 | -109.9 | 0 | 0 | 110.8 | R764 F768 L769 | R764-E766 HydrophobicContact CB-CG 4.07Å; R764-E766 WeakPolarHBondContact CD-OE1 3.43Å; R764-E766 HydrophobicContact CG-CG 3.71Å; R764-E766 IonicContact CZ-OE1 3.93Å; R764-E766 IonicContact CZ-OE2 3.95Å; R764-E766 VanDerWaalsContact NE-CD 3.35Å; R764-E766 IonicContact NE-OE1 2.66Å; R764-E766 PolarHBondContact NE-OE1 3.36Å; R764-E766 IonicContact NE-OE2 4Å; R764-E766 PolarHBondContact NE-OE2 3.15Å; R764-E766 IonicContact NH1-OE1 2.69Å; R764-E766 PolarHBondContact NH1-OE1 3.37Å; R764-E766 IonicContact NH1-OE2 2.67Å; R764-E766 PolarHBondContact NH1-OE2 3.26Å; R764-E766 IonicContact NH2-OE1 2.65Å; R764-E766 IonicContact NH2-OE2 3.66Å; R764-E766 PolarHBondContact NH2-OE2 3.29Å; R764-E766 PolarHBondContact O-N 3.4Å; E766-F768 PolarHBondContact O-N 3.3Å; E766-L769 PolarHBondContact O-N 3.26Å |
| 767 | D | 53.6 | Low | 43.7 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -54.9 | -26.9 | -174.7 | -42.9 | -18.9 | 0 | 0 | 0 | 113.4 | S771 | D767-S771 PolarHBondContact O-OG 3.13Å |
| 768 | F | 53.5 | Low | 44.4 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 74% | 0.737 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -77.3 | -27 | 179.3 | -163.4 | -95.9 | 0 | 0 | 0 | 113.4 | E766 | E766-F768 PolarHBondContact O-N 3.3Å |
| 769 | L | 53.3 | Low | 44.6 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 60% | 0.602 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -79.8 | -39.2 | -178.6 | -74 | 167.3 | 0 | 0 | 0 | 112 | E766 S771 S772 | E766-L769 PolarHBondContact O-N 3.26Å; L769-S771 VanDerWaalsContact C-N 3.26Å; L769-S771 PolarHBondContact O-N 3.35Å; L769-S772 PolarHBondContact O-OG 3.11Å |
| 770 | E | 55.9 | Low | 44.4 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -67.5 | -27.3 | 179.4 | -57.6 | -170 | 151.8 | 0 | 0 | 112.7 | S772 | E770-S772 VanDerWaalsContact C-N 3.26Å; E770-S772 PolarHBondContact O-N 3.26Å |
| 771 | S | 53.3 | Low | 44.4 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -7.6 | -176.5 | -64.8 | 0 | 0 | 0 | 0 | 115.3 | D767 L769 | D767-S771 PolarHBondContact O-OG 3.13Å; L769-S771 VanDerWaalsContact C-N 3.26Å; L769-S771 PolarHBondContact O-N 3.35Å |
| 772 | S | 45.6 | Very low | 44.3 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -12.7 | -169.8 | 69.7 | 0 | 0 | 0 | 0 | 116.2 | L769 E770 | L769-S772 PolarHBondContact O-OG 3.11Å; E770-S772 VanDerWaalsContact C-N 3.26Å; E770-S772 PolarHBondContact O-N 3.26Å |
| 773 | T | 54.2 | Low | 43.9 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -16.5 | -169.7 | 49.9 | 0 | 0 | 0 | 0 | 115.3 | L775 | T773-L775 PolarHBondContact O-N 3.12Š|
| 774 | G | 46.6 | Very low | 43.9 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 72.3 | 10.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 775 | L | 41.6 | Very low | 43.9 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | -137 | 135.3 | 169.3 | -76 | 176.6 | 0 | 0 | 0 | 111 | T773 | T773-L775 PolarHBondContact O-N 3.12Š| ||
| 776 | P | 39.4 | Very low | 43.5 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -82.1 | 140.7 | -177.4 | 32.8 | -34.4 | 0 | 0 | 0 | 112.3 | ||||
| 777 | L | 35.9 | Very low | 43.2 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 90% | 0.895 | 73% | 0.733 | S | S | * | * | trans | -119.7 | 86.7 | 169.7 | -167.7 | 74.3 | 0 | 0 | 0 | 111.4 | ||||
| 778 | L | 39.8 | Very low | 42.8 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | trans | -123.6 | 148.1 | 163.1 | -65.9 | -180 | 0 | 0 | 0 | 106.1 | ||||
| 779 | T | 30.7 | Very low | 42.7 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | cis | -161.2 | 156.3 | 10.8 | 161.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 780 | S | 31.5 | Very low | 42.8 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | 51 | 130.6 | 149.3 | 60.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 781 | G | 30 | Very low | 43 | Very low | 76 Ų | 76 | 116.2 Ų | 116.2 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | trans | 135.6 | 106.4 | 131.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 782 | H | 33.8 | Very low | 43.2 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | 55 | 103.9 | 137.7 | -167.6 | -69.6 | 0 | 0 | 0 | 121 | ||||
| 783 | D | 36.9 | Very low | 43.8 | Very low | 155 Ų | 155 | 116.8 Ų | 116.8 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | trans | 52.5 | 128.9 | 138.8 | -139.9 | -100.7 | 0 | 0 | 0 | 121.9 | ||||
| 784 | G | 35.4 | Very low | 44.4 | Very low | 61 Ų | 61 | 116.3 Ų | 116.3 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | trans | 144.9 | 130.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 785 | P | 47.3 | Very low | 44.7 | Very low | 129 Ų | 129 | 117.8 Ų | 117.8 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | trans | -97.5 | 113.4 | -171.1 | 34.6 | -32.3 | 0 | 0 | 0 | 114.4 | ||||
| 786 | E | 39.2 | Very low | 45.2 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 55% | 0.547 | 66% | 0.66 | S | S | . | * | trans | 176.5 | 109.2 | 132.2 | -111.6 | -60.1 | 119.5 | 0 | 0 | 112.7 | L788 S789 | E786-L788 WeakPolarHBondContact OE1-CG 3.43Å; E786-L788 WeakPolarHBondContact OE2-CA 3.44Å; E786-L788 WeakPolarHBondContact OE2-CB 3.3Å; E786-L788 PolarHBondContact OE2-N 3.15Å; E786-S789 PolarHBondContact OE2-N 3.05Å | ||
| 787 | P | 49.1 | Very low | 45.7 | Very low | 97 Ų | 97 | 113 Ų | 113 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | trans | -112 | 0.4 | 163.3 | 38.6 | -31.3 | 0 | 0 | 0 | 113.3 | ||||
| 788 | L | 46.3 | Very low | 46.4 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 55% | 0.55 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -76.8 | -31.8 | -175.9 | -55.4 | -179.4 | 0 | 0 | 0 | 111.5 | E786 L790 I791 D792 | E786-L788 WeakPolarHBondContact OE1-CG 3.43Å; E786-L788 WeakPolarHBondContact OE2-CA 3.44Å; E786-L788 WeakPolarHBondContact OE2-CB 3.3Å; E786-L788 PolarHBondContact OE2-N 3.15Å; L788-L790 PolarHBondContact O-N 3.37Å; L788-L790 VanDerWaalsContact O-N 3.12Å; L788-I791 HydrophobicContact CD2-CD1 4.24Å; L788-I791 WeakPolarHBondContact O-CA 3.48Å; L788-I791 WeakPolarHBondContact O-CB 3.46Å; L788-I791 PolarHBondContact O-N 2.92Å; L788-D792 PolarHBondContact O-N 3.31Å |
| 789 | S | 50.3 | Low | 47.2 | Very low | 83 Ų | 83 | 111 Ų | 111 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -53.8 | -30.8 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 113.9 | E786 D793 | E786-S789 PolarHBondContact OE2-N 3.05Å; S789-D793 WeakPolarHBondContact O-CB 3.39Å; S789-D793 PolarHBondContact O-N 3.46Å |
| 790 | L | 55.2 | Low | 47.7 | Very low | 138 Ų | 138 | 109.7 Ų | 109.7 | 72% | 0.723 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.3 | -28.8 | 177 | -167.3 | 71.3 | 0 | 0 | 0 | 112.2 | L788 L794 | L788-L790 PolarHBondContact O-N 3.37Å; L788-L790 VanDerWaalsContact O-N 3.12Å; L790-L794 WeakPolarHBondContact O-CB 3.45Å; L790-L794 PolarHBondContact O-N 2.99Å |
| 791 | I | 61.6 | Low | 48 | Very low | 91 Ų | 91 | 108.3 Ų | 108.3 | 47% | 0.467 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -77.7 | -43.4 | 176.6 | -48.5 | 175.5 | 0 | 0 | 0 | 109.4 | L788 L794 H795 | L788-I791 HydrophobicContact CD2-CD1 4.24Å; L788-I791 WeakPolarHBondContact O-CA 3.48Å; L788-I791 WeakPolarHBondContact O-CB 3.46Å; L788-I791 PolarHBondContact O-N 2.92Å; I791-L794 PolarHBondContact O-N 3.37Å; I791-H795 WeakPolarHBondContact O-CB 3.2Å; I791-H795 PolarHBondContact O-CD2 3.19Å; I791-H795 PolarHBondContact O-N 3.21Å |
| 792 | D | 56.2 | Low | 49 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 60% | 0.599 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.1 | -38 | 179.7 | -162.8 | 63.1 | 0 | 0 | 0 | 112.6 | L788 H795 S796 | L788-D792 PolarHBondContact O-N 3.31Å; D792-H795 PolarHBondContact O-N 2.88Å; D792-S796 VanDerWaalsContact O-CB 3.26Å; D792-S796 WeakPolarHBondContact O-CB 3.1Å; D792-S796 PolarHBondContact O-N 2.97Å; D792-S796 PolarHBondContact O-OG 3.09Å |
| 793 | D | 58.3 | Low | 49.6 | Very low | 100 Ų | 100 | 106.6 Ų | 106.6 | 54% | 0.535 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.6 | -40.4 | 172.9 | -168.8 | 45.8 | 0 | 0 | 0 | 111.5 | S789 H795 S796 Q797 | S789-D793 WeakPolarHBondContact O-CB 3.39Å; S789-D793 PolarHBondContact O-N 3.46Å; D793-H795 VanDerWaalsContact C-N 3.34Å; D793-H795 PolarHBondContact O-N 2.99Å; D793-S796 CarbonylContact O-C 3.6Å; D793-S796 PolarHBondContact O-N 3.24Å; D793-Q797 VanDerWaalsContact O-CB 3.29Å; D793-Q797 WeakPolarHBondContact O-CB 3.42Å; D793-Q797 PolarHBondContact O-N 3.44Å |
| 794 | L | 68.3 | Low | 50 | Low | 99 Ų | 99 | 107 Ų | 107 | 52% | 0.518 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.6 | -39.9 | 172.8 | -179.9 | 62.9 | 0 | 0 | 0 | 112.2 | L790 I791 M798 | L790-L794 WeakPolarHBondContact O-CB 3.45Å; L790-L794 PolarHBondContact O-N 2.99Å; I791-L794 PolarHBondContact O-N 3.37Å; L794-M798 WeakPolarHBondContact O-CG 3.39Å; L794-M798 PolarHBondContact O-N 2.99Å |
| 795 | H | 53 | Low | 50.6 | Low | 101 Ų | 101 | 110.7 Ų | 110.7 | 47% | 0.468 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66 | -43.8 | 173.7 | -80.9 | -143.9 | 0 | 0 | 0 | 111.2 | I791 D792 D793 Q797 M798 L799 | I791-H795 WeakPolarHBondContact O-CB 3.2Å; I791-H795 PolarHBondContact O-CD2 3.19Å; I791-H795 PolarHBondContact O-N 3.21Å; D792-H795 PolarHBondContact O-N 2.88Å; D793-H795 VanDerWaalsContact C-N 3.34Å; D793-H795 PolarHBondContact O-N 2.99Å; H795-Q797 VanDerWaalsContact C-N 3.34Å; H795-Q797 PolarHBondContact O-N 3.06Å; H795-M798 PolarHBondContact O-N 2.93Å; H795-L799 WeakPolarHBondContact O-CB 3.27Å; H795-L799 VanDerWaalsContact O-CG 3.25Å; H795-L799 WeakPolarHBondContact O-CG 3.48Å; H795-L799 PolarHBondContact O-N 2.69Å |
| 796 | S | 50.4 | Low | 50.2 | Low | 49 Ų | 49 | 111.3 Ų | 111.3 | 34% | 0.343 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.1 | -38.4 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | D792 D793 L799 S800 | D792-S796 VanDerWaalsContact O-CB 3.26Å; D792-S796 WeakPolarHBondContact O-CB 3.1Å; D792-S796 PolarHBondContact O-N 2.97Å; D792-S796 PolarHBondContact O-OG 3.09Å; D793-S796 CarbonylContact O-C 3.6Å; D793-S796 PolarHBondContact O-N 3.24Å; S796-L799 PolarHBondContact O-N 3.37Å; S796-S800 WeakPolarHBondContact O-CB 3.07Å; S796-S800 PolarHBondContact O-N 3.27Å; S796-S800 PolarHBondContact O-OG 3.13Å |
| 797 | Q | 50.7 | Low | 50.6 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 58% | 0.584 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.4 | -38.3 | 177.3 | -167.9 | 173.4 | 44.4 | 0 | 0 | 112.2 | D793 H795 S800 S801 | D793-Q797 VanDerWaalsContact O-CB 3.29Å; D793-Q797 WeakPolarHBondContact O-CB 3.42Å; D793-Q797 PolarHBondContact O-N 3.44Å; H795-Q797 VanDerWaalsContact C-N 3.34Å; H795-Q797 PolarHBondContact O-N 3.06Å; Q797-S800 PolarHBondContact O-N 2.85Å; Q797-S801 PolarHBondContact O-N 3.11Å; Q797-S801 PolarHBondContact O-OG 3.24Å |
| 798 | M | 51.4 | Low | 50.4 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.3 | -44.9 | 169.5 | -75.9 | -133.8 | -57.5 | 0 | 0 | 111.8 | L794 H795 S800 S801 | L794-M798 WeakPolarHBondContact O-CG 3.39Å; L794-M798 PolarHBondContact O-N 2.99Å; H795-M798 PolarHBondContact O-N 2.93Å; M798-S800 VanDerWaalsContact C-N 3.32Å; M798-S800 PolarHBondContact O-N 3Å; M798-S801 PolarHBondContact O-N 3.31Å |
| 799 | L | 56.3 | Low | 50.3 | Low | 149 Ų | 149 | 114 Ų | 114 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.3 | -26.2 | -179.1 | -69.4 | 169.2 | 0 | 0 | 0 | 113.1 | H795 S796 | H795-L799 WeakPolarHBondContact O-CB 3.27Å; H795-L799 VanDerWaalsContact O-CG 3.25Å; H795-L799 WeakPolarHBondContact O-CG 3.48Å; H795-L799 PolarHBondContact O-N 2.69Å; S796-L799 PolarHBondContact O-N 3.37Å |
| 800 | S | 41.3 | Very low | 49.7 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -0.3 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 114 | S796 Q797 M798 T802 | S796-S800 WeakPolarHBondContact O-CB 3.07Å; S796-S800 PolarHBondContact O-N 3.27Å; S796-S800 PolarHBondContact O-OG 3.13Å; Q797-S800 PolarHBondContact O-N 2.85Å; M798-S800 VanDerWaalsContact C-N 3.32Å; M798-S800 PolarHBondContact O-N 3Å; S800-T802 PolarHBondContact O-N 2.96Å; S800-T802 PolarHBondContact O-OG1 2.74Å |
| 801 | S | 37.9 | Very low | 49.3 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 56% | 0.559 | 65% | 0.652 | S | S | * | * | trans | -81.5 | 58.8 | -177.6 | -70.3 | 0 | 0 | 0 | 0 | 113.1 | Q797 M798 A803 | Q797-S801 PolarHBondContact O-N 3.11Å; Q797-S801 PolarHBondContact O-OG 3.24Å; M798-S801 PolarHBondContact O-N 3.31Å; S801-A803 PolarHBondContact O-N 2.68Å | ||
| 802 | T | 50.1 | Low | 48.5 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | trans | -73.3 | 63.8 | 175.7 | 34.6 | 0 | 0 | 0 | 0 | 112.8 | S800 | S800-T802 PolarHBondContact O-N 2.96Å; S800-T802 PolarHBondContact O-OG1 2.74Å | ||
| 803 | A | 46 | Very low | 47.7 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | trans | -126.2 | 6.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S801 | S801-A803 PolarHBondContact O-N 2.68Š| ||
| 804 | I | 46.8 | Very low | 46.8 | Very low | 164 Ų | 164 | 119.8 Ų | 119.8 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | trans | -131.9 | 49.1 | 168.4 | -39.7 | 179.7 | 0 | 0 | 0 | 110.1 | ||||
| 805 | L | 46.5 | Very low | 45.4 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | trans | -104.8 | 66.1 | 167.9 | -171.8 | 67.4 | 0 | 0 | 0 | 109.6 | ||||
| 806 | D | 39.3 | Very low | 44.5 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | trans | -123.6 | 103.6 | 161.9 | -173.9 | 41.2 | 0 | 0 | 0 | 108.6 | ||||
| 807 | H | 47.6 | Very low | 43.7 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -108.9 | 115.9 | 173.2 | -70.9 | -49.1 | 0 | 0 | 0 | 108.2 | ||||
| 808 | P | 46 | Very low | 42.7 | Very low | 105 Ų | 105 | 129 Ų | 129 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | -59.3 | 132.2 | 165.7 | 26 | -33 | 0 | 0 | 0 | 108.3 | S810 | P808-S810 PolarHBondContact O-N 2.58Å; P808-S810 VanDerWaalsContact O-N 3.09Å | ||
| 809 | P | 42.4 | Very low | 41.6 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -68.4 | 113.7 | -166.1 | 24.6 | -34.3 | 0 | 0 | 0 | 111.7 | P811 | P809-P811 VanDerWaalsContact O-CD 3.31Å; P809-P811 WeakPolarHBondContact O-CD 3.48Å | ||
| 810 | S | 38.4 | Very low | 40.2 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 116.3 | 162.6 | -76.1 | 0 | 0 | 0 | 0 | 108.7 | P808 M812 | P808-S810 PolarHBondContact O-N 2.58Å; P808-S810 VanDerWaalsContact O-N 3.09Å; S810-M812 PolarHBondContact O-N 2.88Å |
| 811 | P | 46.2 | Very low | 40 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 120.9 | -177.3 | 26.4 | -33.2 | 0 | 0 | 0 | 110.1 | P809 | P809-P811 VanDerWaalsContact O-CD 3.31Å; P809-P811 WeakPolarHBondContact O-CD 3.48Å |
| 812 | M | 45.7 | Very low | 39.6 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 158.6 | -173.7 | -166.9 | 170.5 | 65.2 | 0 | 0 | 113.1 | S810 | S810-M812 PolarHBondContact O-N 2.88Š|
| 813 | D | 38.9 | Very low | 39.4 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 140.4 | 167.7 | -158.4 | -36.9 | 0 | 0 | 0 | 110.6 | ||
| 814 | T | 40.6 | Very low | 38.5 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -139.8 | 98.9 | 169.8 | 58.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 815 | S | 37.1 | Very low | 37.6 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -73.6 | 167.8 | 159.5 | -68.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 816 | E | 35.7 | Very low | 36.8 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | 71.4 | 106.5 | 174.5 | -52.6 | -166.1 | 153.4 | 0 | 0 | 117.3 | ||||
| 817 | L | 32.3 | Very low | 36.6 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | -142.1 | 115.4 | 137.9 | -131.4 | 176.8 | 0 | 0 | 0 | 108.9 | ||||
| 818 | H | 30.2 | Very low | 35.6 | Very low | 141 Ų | 141 | 129 Ų | 129 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | trans | -75.1 | 136.9 | 174.8 | -70.6 | -106.6 | 0 | 0 | 0 | 110.3 | ||||
| 819 | F | 27.8 | Very low | 35.1 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -109.5 | 104.9 | 152.4 | -82.6 | -80.2 | 0 | 0 | 0 | 108.6 | P821 | F819-P821 WeakPolarHBondContact O-CD 3.45Š| ||
| 820 | V | 28.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -81.7 | 121.6 | 166.5 | 174.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 821 | P | 37.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | -83.9 | 149.7 | 165.6 | 34.9 | -32.5 | 0 | 0 | 0 | 110.6 | F819 | F819-P821 WeakPolarHBondContact O-CD 3.45Š| ||
| 822 | E | 27.7 | Very low | 33.5 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 146.5 | 159.7 | 158.1 | -87.4 | -73.6 | 76.9 | 0 | 0 | 110.4 | ||||
| 823 | P | 47.8 | Very low | 32.8 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | cis | -130.2 | 165.3 | -23.3 | 37 | -23.1 | 0 | 0 | 0 | 113.6 | ||||
| 824 | S | 27.1 | Very low | 32.8 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | 166.8 | 157.1 | 129.6 | 48 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 825 | S | 27.9 | Very low | 32.6 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | 67.6 | 73.5 | 168.2 | -163.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 826 | T | 27.9 | Very low | 32.8 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | 42.5 | 97 | 82.4 | 72.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 827 | M | 35.4 | Very low | 33 | Very low | 178 Ų | 178 | 134 Ų | 134 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | -165.9 | 152.1 | 102.9 | -69.9 | -41.7 | 162.7 | 0 | 0 | 108.5 | |||||
| 828 | G | 27.8 | Very low | 33.2 | Very low | 66 Ų | 66 | 129.3 Ų | 129.3 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | cis | 139.3 | 42.5 | -4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 829 | L | 34.4 | Very low | 33.8 | Very low | 186 Ų | 186 | 130.9 Ų | 130.9 | 97% | 0.974 | 76% | 0.757 | S | S | * | * | trans | -142.9 | 159.5 | 163.9 | -83 | -173.5 | 0 | 0 | 0 | 111.7 | ||||
| 830 | D | 30.1 | Very low | 34.5 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -127.2 | 177 | -163.1 | 178.3 | 35.4 | 0 | 0 | 0 | 111.1 | ||||
| 831 | L | 30.1 | Very low | 35.1 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | trans | 76.3 | 85.5 | 158.3 | -161.6 | 74.3 | 0 | 0 | 0 | 118.1 | ||||
| 832 | A | 33.9 | Very low | 35.6 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -152.9 | 126.5 | 136.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 833 | D | 31.2 | Very low | 36 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -46.3 | 154.9 | -178.3 | -165.2 | 42.1 | 0 | 0 | 0 | 117.5 | ||||
| 834 | G | 39.4 | Very low | 35.7 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -117.9 | 117.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 835 | H | 36 | Very low | 36.1 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | trans | -137.4 | 117.6 | 174.2 | -156.4 | -86.1 | 0 | 0 | 0 | 107.5 | ||||
| 836 | L | 41.3 | Very low | 36.5 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | 59.6 | 134.6 | 77.4 | -71.9 | 176.7 | 0 | 0 | 0 | 111.9 | |||||
| 837 | D | 40.3 | Very low | 36.8 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | cis | -164.9 | -167.4 | 5 | -173.9 | 20.1 | 0 | 0 | 0 | 108.6 | ||||
| 838 | S | 35 | Very low | 36.6 | Very low | 56 Ų | 56 | 120.5 Ų | 120.5 | 39% | 0.392 | 69% | 0.691 | S | S | . | * | trans | 59.6 | 114.9 | 141.3 | -176.9 | 0 | 0 | 0 | 0 | 119 | D840 | S838-D840 WeakPolarHBondContact CB-OD2 3.34Å; S838-D840 PolarHBondContact OG-OD2 2.67Å | ||
| 839 | M | 44.2 | Very low | 37.5 | Very low | 173 Ų | 173 | 122.1 Ų | 122.1 | 85% | 0.852 | 69% | 0.689 | S | S | * | * | -160.9 | 70.8 | 114.6 | -139.1 | 73.2 | 67.1 | 0 | 0 | 112.4 | |||||
| 840 | D | 41.6 | Very low | 37.4 | Very low | 96 Ų | 96 | 118 Ų | 118 | 51% | 0.513 | 67% | 0.672 | S | S | . | * | 40.8 | 122.2 | 116.6 | -67.2 | -80.9 | 0 | 0 | 0 | 122.4 | S838 | S838-D840 WeakPolarHBondContact CB-OD2 3.34Å; S838-D840 PolarHBondContact OG-OD2 2.67Å | |||
| 841 | W | 41.7 | Very low | 37.8 | Very low | 215 Ų | 215 | 118.1 Ų | 118.1 | 81% | 0.814 | 67% | 0.672 | S | S | * | * | trans | 35.6 | 119.5 | 142.8 | -47.3 | 93.7 | 0 | 0 | 0 | 122 | ||||
| 842 | L | 46.5 | Very low | 37.7 | Very low | 157 Ų | 157 | 115.2 Ų | 115.2 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | 53.2 | 101.1 | 136.9 | -64 | 171.6 | 0 | 0 | 0 | 119.5 | ||||
| 843 | E | 35.8 | Very low | 37.4 | Very low | 182 Ų | 182 | 118.2 Ų | 118.2 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | trans | -142 | 152.5 | 143.8 | -129.7 | -158.7 | 167.2 | 0 | 0 | 114.7 | ||||
| 844 | L | 42.3 | Very low | 37.5 | Very low | 130 Ų | 130 | 115.2 Ų | 115.2 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | trans | -121.3 | 85.4 | -174.3 | -83.4 | 173.3 | 0 | 0 | 0 | 112.5 | K176 | K176-L844 PolarHBondContact NZ-O 2.75Š| ||
| 845 | S | 35 | Very low | 38.1 | Very low | 77 Ų | 77 | 117.2 Ų | 117.2 | 54% | 0.538 | 66% | 0.663 | S | S | . | * | trans | -142.5 | 102.3 | 179.6 | -118.8 | 0 | 0 | 0 | 0 | 118.2 | K176 | K176-S845 PolarHBondContact NZ-OG 3.33Š| ||
| 846 | S | 37.3 | Very low | 37.7 | Very low | 36 Ų | 36 | 116.9 Ų | 116.9 | 25% | 0.252 | 67% | 0.665 | S | S | . | * | 82.9 | 97.2 | 129.3 | -47.5 | 0 | 0 | 0 | 0 | 118.6 | K176 | K176-S846 WeakPolarHBondContact CD-OG 3.47Å; K176-S846 WeakPolarHBondContact CE-OG 3.24Å; K176-S846 PolarHBondContact NZ-OG 2.73Å | |||
| 847 | G | 33.5 | Very low | 37.1 | Very low | 55 Ų | 55 | 115.7 Ų | 115.7 | 57% | 0.567 | 67% | 0.668 | S | S | * | * | trans | -81 | -158.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.8 | K175 | K175-G847 WeakPolarHBondContact CA-O 3.48Å; K175-G847 PolarHBondContact N-O 2.86Å; K175-G847 VanDerWaalsContact N-O 3.11Å | ||
| 848 | G | 30.7 | Very low | 36.5 | Very low | 39 Ų | 39 | 115.2 Ų | 115.2 | 40% | 0.402 | 67% | 0.671 | S | S | . | * | trans | 138.8 | 128.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R173 | R173-G848 PolarHBondContact NE-O 3.24Å; R173-G848 VanDerWaalsContact NE-O 3.16Å; R173-G848 PolarHBondContact NH2-O 3.24Å | ||
| 849 | P | 46.8 | Very low | 36.2 | Very low | 99 Ų | 99 | 118.8 Ų | 118.8 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | trans | -109 | -178.9 | -154.9 | 42.6 | -37.9 | 0 | 0 | 0 | 116.2 | R173 | R173-P849 VanDerWaalsContact CD-O 3.3Å; R173-P849 WeakPolarHBondContact CD-O 3.47Å; R173-P849 VanDerWaalsContact CZ-C 3.44Å; R173-P849 PolarHBondContact NE-O 2.78Å | ||
| 850 | V | 33.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 114.5 Ų | 114.5 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | trans | 74.6 | 121.3 | 164 | -175.2 | 0 | 0 | 0 | 0 | 118.1 | R173 | R173-V850 PolarHBondContact NH1-O 3.08Š| ||
| 851 | L | 38.4 | Very low | 35.9 | Very low | 155 Ų | 155 | 116.3 Ų | 116.3 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | 21.2 | 159.7 | 140.6 | -43 | 174.5 | 0 | 0 | 0 | 119.8 | ||||
| 852 | S | 27.9 | Very low | 35.7 | Very low | 94 Ų | 94 | 110 Ų | 110 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | cis | -174.3 | 175.3 | 29.9 | -156.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 853 | L | 28.4 | Very low | 35.1 | Very low | 165 Ų | 165 | 111 Ų | 111 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | trans | 72.7 | 155.1 | 159.5 | -54.7 | -174.6 | 0 | 0 | 0 | 121.9 | ||||
| 854 | A | 33.1 | Very low | 35 | Very low | 93 Ų | 93 | 110.3 Ų | 110.3 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | trans | -116.2 | -152 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 855 | P | 50.8 | Low | 34.5 | Very low | 109 Ų | 109 | 109.8 Ų | 109.8 | 71% | 0.708 | 70% | 0.695 | S | S | * | * | cis | -138.6 | -155.7 | -6.9 | 33.2 | -6.7 | 0 | 0 | 0 | 114.1 | ||||
| 856 | L | 28.8 | Very low | 34.5 | Very low | 148 Ų | 148 | 110.9 Ų | 110.9 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | trans | 71.7 | 127.2 | 175.8 | -80.5 | 68.6 | 0 | 0 | 0 | 115.6 | ||||
| 857 | S | 27.1 | Very low | 34.4 | Very low | 108 Ų | 108 | 115.6 Ų | 115.6 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | 78.7 | 147.4 | 52.6 | -57.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 858 | T | 27.9 | Very low | 34.3 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | cis | -102.6 | -152.5 | 14.4 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 859 | T | 29.5 | Very low | 35 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | cis | -152.5 | 161.1 | 16.9 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 860 | A | 37.4 | Very low | 34.4 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | trans | -131.9 | 173 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 861 | P | 41.4 | Very low | 34.9 | Very low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -116.5 | 154.9 | 133.1 | 35.2 | -32.1 | 0 | 0 | 0 | 111.7 | ||||
| 862 | S | 37.2 | Very low | 34.8 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | trans | -122.8 | 147.5 | -176.2 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | F864 | S862-F864 WeakPolarHBondContact OG-CD2 3.47Š| ||
| 863 | L | 34.7 | Very low | 35.1 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | trans | -124.4 | 120.8 | 159.3 | -73 | 175.7 | 0 | 0 | 0 | 108.1 | ||||
| 864 | F | 33.4 | Very low | 35.9 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | trans | -88.7 | 141.4 | 178.7 | -97.2 | -110.4 | 0 | 0 | 0 | 111.1 | S862 T866 | S862-F864 WeakPolarHBondContact OG-CD2 3.47Å; F864-T866 VanDerWaalsContact CD1-OG1 3.27Å; F864-T866 WeakPolarHBondContact CD1-OG1 3.41Å; F864-T866 WeakPolarHBondContact CE1-OG1 3.49Å | ||
| 865 | S | 32.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -132.8 | 102.3 | 132.1 | -72.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 866 | T | 34.5 | Very low | 35.7 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 61% | 0.607 | 76% | 0.763 | S | S | * | * | trans | -105 | 118.6 | 164.9 | -69.5 | 0 | 0 | 0 | 0 | 106.4 | F864 | F864-T866 VanDerWaalsContact CD1-OG1 3.27Å; F864-T866 WeakPolarHBondContact CD1-OG1 3.41Å; F864-T866 WeakPolarHBondContact CE1-OG1 3.49Å | ||
| 867 | D | 36.1 | Very low | 35.9 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -124.9 | 105.2 | 164 | -83.3 | -65.1 | 0 | 0 | 0 | 109.1 | ||||
| 868 | F | 31 | Very low | 36.4 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 45.2 | 108.9 | 152.6 | -62.9 | -84.8 | 0 | 0 | 0 | 120 | D870 | F868-D870 PolarHBondContact O-N 2.96Š| ||
| 869 | L | 44.3 | Very low | 36.6 | Very low | 174 Ų | 174 | 142 Ų | 142 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | -54.5 | 114.1 | 119.7 | -71.6 | 167.4 | 0 | 0 | 0 | 107.8 | |||||
| 870 | D | 34.6 | Very low | 36.8 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | trans | -88.9 | 132.1 | 157.1 | -164.6 | -11.1 | 0 | 0 | 0 | 108.3 | F868 H872 | F868-D870 PolarHBondContact O-N 2.96Å; D870-H872 IonicContact OD1-CD2 3.45Å; D870-H872 PolarHBondContact OD1-CD2 3.22Å; D870-H872 IonicContact OD1-CG 2.98Å; D870-H872 PolarHBondContact OD1-N 2.7Å | ||
| 871 | G | 43.6 | Very low | 36.9 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -127.3 | 34.4 | -172 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 872 | H | 37.1 | Very low | 36.5 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -116.2 | 126.5 | 173.2 | -55.4 | -48.1 | 0 | 0 | 0 | 108 | D870 | D870-H872 IonicContact OD1-CD2 3.45Å; D870-H872 PolarHBondContact OD1-CD2 3.22Å; D870-H872 IonicContact OD1-CG 2.98Å; D870-H872 PolarHBondContact OD1-N 2.7Å | ||
| 873 | D | 32.8 | Very low | 36.5 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | cis | -145.5 | 164.8 | 39.5 | -160.4 | 3.8 | 0 | 0 | 0 | 114 | Q875 | D873-Q875 PolarHBondContact O-N 3.43Š| ||
| 874 | L | 46.5 | Very low | 36.6 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | -86.3 | 99.4 | 167.5 | -82.4 | 73.3 | 0 | 0 | 0 | 109.6 | ||||
| 875 | Q | 36.1 | Very low | 36.8 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | -127.1 | 105.5 | 164.1 | -150.9 | 69.3 | 75.9 | 0 | 0 | 113.4 | D873 | D873-Q875 PolarHBondContact O-N 3.43Š| ||
| 876 | L | 44.2 | Very low | 37 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -49.9 | 132.5 | 169.7 | -64.6 | 154.5 | 0 | 0 | 0 | 112.5 | ||||
| 877 | H | 33.1 | Very low | 37.2 | Very low | 162 Ų | 162 | 153 Ų | 153 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | -149.1 | 87 | 155.3 | 171.8 | -91.3 | 0 | 0 | 0 | 108.8 | ||||
| 878 | W | 37.6 | Very low | 37.2 | Very low | 251 Ų | 251 | 154.2 Ų | 154.2 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | trans | -120.7 | 95.4 | 160.9 | -92.1 | 113.6 | 0 | 0 | 0 | 107.1 | ||||
| 879 | D | 30.5 | Very low | 37.7 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 67% | 0.674 | 81% | 0.808 | S | S | * | * | trans | -167.5 | 146.4 | 168.5 | -105 | -35.1 | 0 | 0 | 0 | 106.8 | ||||
| 880 | S | 34.3 | Very low | 37.2 | Very low | 94 Ų | 94 | 151.5 Ų | 151.5 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | cis | -161.4 | -177.7 | -16.5 | -133.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 881 | C | 38.4 | Very low | 37.4 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | 72.8 | 115.6 | -178.1 | -50.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 882 | L | 34.4 | Very low | 36.8 | Very low | 246 Ų | 246 | 161.7 Ų | 161.7 | 100% | 1.288 | 82% | 0.822 | S | S | * | * | cis | -145.1 | 0 | 9.1 | -109.3 | 163.6 | 0 | 0 | 0 | 111 |
Retrieved 882 of 882 residues in 412.2 ms
(Link to these results)