| 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 | 48.3 | Very low | 68.2 | Low | 153 Ų | 153 | 94.7 Ų | 94.7 | 75% | 0.754 | 49% | 0.488 | S | S | * | . | 0 | 21.1 | 0 | -58.9 | -43.7 | -172 | 0 | 0 | 114.6 | P636 G637 F639 | M1-P636 CarbonylContact O-C 3.5Å; M1-G637 PolarHBondContact O-N 3.3Å; M1-F639 HydrophobicContact CE-CB 4.06Å; M1-F639 HydrophobicContact CE-CD2 3.54Å; M1-F639 HydrophobicContact CE-CE2 4.24Å; M1-F639 HydrophobicContact CE-CG 4.04Å; M1-F639 HydrophobicContact SD-CD2 4.23Å | |||
| 2 | S | 56.5 | Low | 68.5 | Low | 93 Ų | 93 | 97.8 Ų | 97.8 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | trans | -106.1 | 8.2 | 160.5 | -155.6 | 0 | 0 | 0 | 0 | 114.1 | D635 P636 | S2-D635 CarbonylContact O-C 3.58Å; S2-D635 VanDerWaalsContact O-C 3.24Å; S2-P636 VanDerWaalsContact C-CB 3.48Å; S2-P636 CarbonylContact C-O 3.54Å; S2-P636 VanDerWaalsContact CA-C 3.48Å; S2-P636 WeakPolarHBondContact CA-O 3.31Å; S2-P636 CarbonylContact O-C 3.44Å; S2-P636 WeakPolarHBondContact O-CA 3.35Å; S2-P636 WeakPolarHBondContact O-CD 3.09Å; S2-P636 VanDerWaalsContact O-O 3.09Å | ||
| 3 | I | 66.5 | Low | 68.6 | Low | 123 Ų | 123 | 94.9 Ų | 94.9 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -86.8 | 98.2 | 149.9 | -42.5 | 154.9 | 0 | 0 | 0 | 125.5 | P636 | I3-P636 HydrophobicContact CB-CB 3.37Å; I3-P636 HydrophobicContact CB-CG 2.68Å; I3-P636 HydrophobicContact CD1-CG 3.98Å; I3-P636 HydrophobicContact CG1-CB 4.46Å; I3-P636 HydrophobicContact CG1-CG 3.04Å; I3-P636 HydrophobicContact CG2-CG 4.24Å; I3-P636 PolarHBondContact N-O 3.14Å; I3-P636 VanDerWaalsContact O-CA 3.31Å; I3-P636 WeakPolarHBondContact O-CA 3.31Å; I3-P636 WeakPolarHBondContact O-CB 2.78Å |
| 4 | L | 66.6 | Low | 68.7 | Low | 105 Ų | 105 | 93.1 Ų | 93.1 | 55% | 0.55 | 49% | 0.485 | S | S | . | . | S | Bend | trans | 70.9 | 52.6 | -153.6 | -84 | 67.5 | 0 | 0 | 0 | 119.5 | L8 D635 G637 S638 | L4-L8 HydrophobicContact CB-CD1 4.43Å; L4-D635 VanDerWaalsContact CA-OD1 3.25Å; L4-D635 WeakPolarHBondContact CA-OD1 3.44Å; L4-D635 VanDerWaalsContact N-CG 3.31Å; L4-D635 PolarHBondContact N-OD1 2.88Å; L4-G637 VanDerWaalsContact C-CA 3.46Å; L4-G637 CarbonylContact O-C 3.47Å; L4-G637 WeakPolarHBondContact O-CA 3.42Å; L4-S638 WeakPolarHBondContact O-CB 3.32Å; L4-S638 PolarHBondContact O-N 2.84Å; L4-S638 PolarHBondContact O-OG 3.22Å |
| 5 | S | 65.5 | Low | 68.7 | Low | 53 Ų | 53 | 90.7 Ų | 90.7 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -153.4 | -31 | 153.5 | -155.8 | 0 | 0 | 0 | 0 | 118.1 | L8 S9 D635 P636 | S5-L8 VanDerWaalsContact CA-CB 3.48Å; S5-L8 CarbonylContact O-C 3.41Å; S5-L8 WeakPolarHBondContact O-CB 3.05Å; S5-S9 PolarHBondContact O-N 2.9Å; S5-D635 WeakPolarHBondContact CA-OD2 3.06Å; S5-D635 VanDerWaalsContact N-CG 3.34Å; S5-D635 PolarHBondContact N-OD2 3.34Å; S5-P636 VanDerWaalsContact CB-C 3.49Å; S5-P636 WeakPolarHBondContact CB-O 3.42Å; S5-P636 PolarHBondContact N-O 2.73Å |
| 6 | W | 69.9 | Low | 68.5 | Low | 113 Ų | 113 | 91.3 Ų | 91.3 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -88.6 | -41.9 | 173.1 | -159.1 | 86 | 0 | 0 | 0 | 118.4 | L8 S9 I10 D632 D635 P636 | W6-L8 PolarHBondContact O-N 2.73Å; W6-S9 CarbonylContact O-C 3.56Å; W6-S9 VanDerWaalsContact O-CA 3.23Å; W6-S9 WeakPolarHBondContact O-CA 2.88Å; W6-S9 WeakPolarHBondContact O-CB 2.96Å; W6-S9 PolarHBondContact O-N 2.79Å; W6-I10 HydrophobicContact CE3-CD1 4.06Å; W6-I10 HydrophobicContact CH2-CD1 3.94Å; W6-I10 HydrophobicContact CZ3-CD1 3.45Å; W6-I10 VanDerWaalsContact CZ3-CD1 3.45Å; W6-I10 HydrophobicContact CZ3-CG1 4.34Å; W6-I10 PolarHBondContact O-N 2.64Å; W6-D632 HydrophobicContact CH2-CB 4.32Å; W6-D632 HydrophobicContact CZ3-CB 4.03Å; W6-D635 VanDerWaalsContact C-OD2 3.3Å; W6-D635 WeakPolarHBondContact CA-OD2 3.19Å; W6-D635 PolarHBondContact N-OD2 3.44Å; W6-P636 PolarHBondContact N-O 2.88Å |
| 7 | F | 78.5 | Confident | 68 | Low | 103 Ų | 103 | 90.9 Ų | 90.9 | 45% | 0.452 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -16.2 | 157.5 | -65.6 | -42.6 | 0 | 0 | 0 | 110.6 | I10 F11 G634 D635 | F7-I10 HydrophobicContact CD1-CD1 3.65Å; F7-I10 HydrophobicContact CE1-CD1 4.25Å; F7-I10 CarbonylContact O-C 3.22Å; F7-I10 WeakPolarHBondContact O-CA 3.19Å; F7-I10 WeakPolarHBondContact O-CB 3.35Å; F7-I10 PolarHBondContact O-N 2.97Å; F7-F11 PolarHBondContact O-N 2.83Å; F7-G634 VanDerWaalsContact CZ-CA 3.42Å; F7-D635 VanDerWaalsContact CA-CG 3.43Å; F7-D635 WeakPolarHBondContact CA-OD2 3.17Å; F7-D635 HydrophobicContact CB-CB 3.54Å; F7-D635 WeakPolarHBondContact CB-OD1 3.3Å; F7-D635 HydrophobicContact CD2-CB 3.74Å; F7-D635 HydrophobicContact CG-CB 3.86Å; F7-D635 VanDerWaalsContact N-CA 3.29Å; F7-D635 PolarHBondContact N-OD2 2.73Å |
| 8 | L | 74.4 | Confident | 67.3 | Low | 53 Ų | 53 | 92.5 Ų | 92.5 | 28% | 0.277 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.8 | -28.1 | 166.2 | -135.3 | 172.8 | 0 | 0 | 0 | 110.9 | L4 S5 W6 I10 F11 F12 D635 | L4-L8 HydrophobicContact CB-CD1 4.43Å; S5-L8 VanDerWaalsContact CA-CB 3.48Å; S5-L8 CarbonylContact O-C 3.41Å; S5-L8 WeakPolarHBondContact O-CB 3.05Å; W6-L8 PolarHBondContact O-N 2.73Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-F11 HydrophobicContact CD2-CB 4.35Å; L8-F11 CarbonylContact O-C 3.51Å; L8-F11 PolarHBondContact O-N 3.42Å; L8-F12 HydrophobicContact CD2-CD2 4Å; L8-F12 HydrophobicContact CD2-CE2 4.29Å; L8-F12 PolarHBondContact O-N 2.83Å; L8-D635 PolarHBondContact N-OD1 2.85Å; L8-D635 PolarHBondContact N-OD2 3.12Å |
| 9 | S | 71.6 | Confident | 66.7 | Low | 54 Ų | 54 | 92.3 Ų | 92.3 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.4 | -31.8 | 160.3 | -162 | 0 | 0 | 0 | 0 | 111.3 | S5 W6 S13 | S5-S9 PolarHBondContact O-N 2.9Å; W6-S9 CarbonylContact O-C 3.56Å; W6-S9 VanDerWaalsContact O-CA 3.23Å; W6-S9 WeakPolarHBondContact O-CA 2.88Å; W6-S9 WeakPolarHBondContact O-CB 2.96Å; W6-S9 PolarHBondContact O-N 2.79Å; S9-S13 VanDerWaalsContact O-CB 3.27Å; S9-S13 WeakPolarHBondContact O-CB 3.38Å; S9-S13 PolarHBondContact O-N 3.32Å; S9-S13 PolarHBondContact O-OG 3.48Å |
| 10 | I | 74.8 | Confident | 66 | Low | 46 Ų | 46 | 90.6 Ų | 90.6 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -70.4 | -33.9 | 165.4 | -75 | 158.2 | 0 | 0 | 0 | 111.4 | W6 F7 L8 S13 V14 D632 | W6-I10 HydrophobicContact CE3-CD1 4.06Å; W6-I10 HydrophobicContact CH2-CD1 3.94Å; W6-I10 HydrophobicContact CZ3-CD1 3.45Å; W6-I10 VanDerWaalsContact CZ3-CD1 3.45Å; W6-I10 HydrophobicContact CZ3-CG1 4.34Å; W6-I10 PolarHBondContact O-N 2.64Å; F7-I10 HydrophobicContact CD1-CD1 3.65Å; F7-I10 HydrophobicContact CE1-CD1 4.25Å; F7-I10 CarbonylContact O-C 3.22Å; F7-I10 WeakPolarHBondContact O-CA 3.19Å; F7-I10 WeakPolarHBondContact O-CB 3.35Å; F7-I10 PolarHBondContact O-N 2.97Å; L8-I10 VanDerWaalsContact C-N 3.34Å; I10-S13 CarbonylContact O-C 3.24Å; I10-S13 PolarHBondContact O-N 2.61Å; I10-V14 HydrophobicContact CG2-CG2 3.93Å; I10-V14 WeakPolarHBondContact O-CB 3.42Å; I10-V14 VanDerWaalsContact O-CG2 3.22Å; I10-V14 WeakPolarHBondContact O-CG2 3.31Å; I10-V14 PolarHBondContact O-N 3.23Å; I10-D632 HydrophobicContact CD1-CB 4.07Å |
| 11 | F | 77.2 | Confident | 65.2 | Low | 146 Ų | 146 | 91.6 Ų | 91.6 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.7 | -38 | 175 | -134.3 | -84.5 | 0 | 0 | 0 | 110.4 | F7 L8 V15 | F7-F11 PolarHBondContact O-N 2.83Å; L8-F11 HydrophobicContact CD2-CB 4.35Å; L8-F11 CarbonylContact O-C 3.51Å; L8-F11 PolarHBondContact O-N 3.42Å; F11-V15 HydrophobicContact CD1-CG2 4.21Å; F11-V15 WeakPolarHBondContact O-CB 2.83Å; F11-V15 WeakPolarHBondContact O-CG2 3.34Å; F11-V15 PolarHBondContact O-N 2.94Å |
| 12 | F | 72.4 | Confident | 65 | Low | 132 Ų | 132 | 89.6 Ų | 89.6 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 168.2 | -99.2 | -89.5 | 0 | 0 | 0 | 112.5 | L8 V15 I16 | L8-F12 HydrophobicContact CD2-CD2 4Å; L8-F12 HydrophobicContact CD2-CE2 4.29Å; L8-F12 PolarHBondContact O-N 2.83Å; F12-V15 PolarHBondContact O-N 3.12Å; F12-I16 HydrophobicContact CD1-CD1 4.4Å; F12-I16 WeakPolarHBondContact O-CB 3.18Å; F12-I16 WeakPolarHBondContact O-CD1 3.26Å; F12-I16 WeakPolarHBondContact O-CG1 3.07Å; F12-I16 PolarHBondContact O-N 3.29Å |
| 13 | S | 69.6 | Low | 64.1 | Low | 60 Ų | 60 | 92.5 Ų | 92.5 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.4 | -36.6 | 176 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | S9 I10 V17 | S9-S13 VanDerWaalsContact O-CB 3.27Å; S9-S13 WeakPolarHBondContact O-CB 3.38Å; S9-S13 PolarHBondContact O-N 3.32Å; S9-S13 PolarHBondContact O-OG 3.48Å; I10-S13 CarbonylContact O-C 3.24Å; I10-S13 PolarHBondContact O-N 2.61Å; S13-V17 WeakPolarHBondContact O-CB 3.36Å; S13-V17 WeakPolarHBondContact O-CG2 3.35Å; S13-V17 PolarHBondContact O-N 3.03Å |
| 14 | V | 69.4 | Low | 62.8 | Low | 69 Ų | 69 | 94.6 Ų | 94.6 | 42% | 0.418 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.4 | -36.3 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | I10 Q18 | I10-V14 HydrophobicContact CG2-CG2 3.93Å; I10-V14 WeakPolarHBondContact O-CB 3.42Å; I10-V14 VanDerWaalsContact O-CG2 3.22Å; I10-V14 WeakPolarHBondContact O-CG2 3.31Å; I10-V14 PolarHBondContact O-N 3.23Å; V14-Q18 HydrophobicContact CG1-CG 4.49Å; V14-Q18 VanDerWaalsContact O-CB 3.24Å; V14-Q18 WeakPolarHBondContact O-CB 3.25Å; V14-Q18 VanDerWaalsContact O-CG 3.23Å; V14-Q18 WeakPolarHBondContact O-CG 3.46Å; V14-Q18 PolarHBondContact O-N 3.05Å |
| 15 | V | 69.1 | Low | 61.4 | Low | 57 Ų | 57 | 96.4 Ų | 96.4 | 35% | 0.345 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 170.4 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | F11 F12 Q18 I19 | F11-V15 HydrophobicContact CD1-CG2 4.21Å; F11-V15 WeakPolarHBondContact O-CB 2.83Å; F11-V15 WeakPolarHBondContact O-CG2 3.34Å; F11-V15 PolarHBondContact O-N 2.94Å; F12-V15 PolarHBondContact O-N 3.12Å; V15-Q18 CarbonylContact O-C 3.52Å; V15-Q18 PolarHBondContact O-N 3.37Å; V15-I19 HydrophobicContact CG1-CD1 3.7Å; V15-I19 HydrophobicContact CG1-CG1 4.4Å; V15-I19 VanDerWaalsContact O-CB 3.29Å; V15-I19 WeakPolarHBondContact O-CB 3.45Å; V15-I19 WeakPolarHBondContact O-CD1 3.42Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 3.11Å |
| 16 | I | 66.3 | Low | 60 | Low | 100 Ų | 100 | 100.8 Ų | 100.8 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 174.3 | -73.4 | 164.8 | 0 | 0 | 0 | 110.5 | F12 I19 A20 | F12-I16 HydrophobicContact CD1-CD1 4.4Å; F12-I16 WeakPolarHBondContact O-CB 3.18Å; F12-I16 WeakPolarHBondContact O-CD1 3.26Å; F12-I16 WeakPolarHBondContact O-CG1 3.07Å; F12-I16 PolarHBondContact O-N 3.29Å; I16-I19 CarbonylContact O-C 3.36Å; I16-I19 PolarHBondContact O-N 3.43Å; I16-A20 VanDerWaalsContact O-CB 3.29Å; I16-A20 WeakPolarHBondContact O-CB 3.49Å; I16-A20 PolarHBondContact O-N 3.12Å |
| 17 | V | 60.1 | Low | 58.5 | Low | 86 Ų | 86 | 101.8 Ų | 101.8 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 173 | 166.5 | 0 | 0 | 0 | 0 | 110.9 | S13 A20 V21 | S13-V17 WeakPolarHBondContact O-CB 3.36Å; S13-V17 WeakPolarHBondContact O-CG2 3.35Å; S13-V17 PolarHBondContact O-N 3.03Å; V17-A20 PolarHBondContact O-N 3.45Å; V17-V21 HydrophobicContact CG1-CG2 4.1Å; V17-V21 WeakPolarHBondContact O-CB 3.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.18Å; V17-V21 PolarHBondContact O-N 2.83Å |
| 18 | Q | 54 | Low | 56.5 | Low | 119 Ų | 119 | 104.1 Ų | 104.1 | 56% | 0.556 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.1 | -31.2 | 172.5 | -73.5 | -177.5 | -78.8 | 0 | 0 | 112.2 | V14 V15 T22 | V14-Q18 HydrophobicContact CG1-CG 4.49Å; V14-Q18 VanDerWaalsContact O-CB 3.24Å; V14-Q18 WeakPolarHBondContact O-CB 3.25Å; V14-Q18 VanDerWaalsContact O-CG 3.23Å; V14-Q18 WeakPolarHBondContact O-CG 3.46Å; V14-Q18 PolarHBondContact O-N 3.05Å; V15-Q18 CarbonylContact O-C 3.52Å; V15-Q18 PolarHBondContact O-N 3.37Å; Q18-T22 VanDerWaalsContact O-CB 3.3Å; Q18-T22 WeakPolarHBondContact O-CB 3.42Å; Q18-T22 VanDerWaalsContact O-CG2 3.24Å; Q18-T22 WeakPolarHBondContact O-CG2 3.4Å; Q18-T22 PolarHBondContact O-N 2.76Å; Q18-T22 PolarHBondContact O-OG1 2.6Å |
| 19 | I | 56.9 | Low | 55 | Low | 88 Ų | 88 | 105.4 Ų | 105.4 | 45% | 0.451 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69 | -34.1 | 169.2 | -72.5 | 165.4 | 0 | 0 | 0 | 111.1 | V15 I16 T22 Q23 | V15-I19 HydrophobicContact CG1-CD1 3.7Å; V15-I19 HydrophobicContact CG1-CG1 4.4Å; V15-I19 VanDerWaalsContact O-CB 3.29Å; V15-I19 WeakPolarHBondContact O-CB 3.45Å; V15-I19 WeakPolarHBondContact O-CD1 3.42Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 3.11Å; I16-I19 CarbonylContact O-C 3.36Å; I16-I19 PolarHBondContact O-N 3.43Å; I19-T22 WeakPolarHBondContact CA-OG1 3.2Å; I19-T22 PolarHBondContact O-OG1 2.72Å; I19-Q23 WeakPolarHBondContact O-CG 3.12Å; I19-Q23 PolarHBondContact O-N 3.19Å |
| 20 | A | 52 | Low | 53.6 | Low | 59 Ų | 59 | 108.4 Ų | 108.4 | 49% | 0.488 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76.1 | -39.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I16 V17 T22 Q23 | I16-A20 VanDerWaalsContact O-CB 3.29Å; I16-A20 WeakPolarHBondContact O-CB 3.49Å; I16-A20 PolarHBondContact O-N 3.12Å; V17-A20 PolarHBondContact O-N 3.45Å; A20-T22 VanDerWaalsContact C-N 3.35Å; A20-Q23 WeakPolarHBondContact O-CB 3.27Å; A20-Q23 PolarHBondContact O-N 2.69Å |
| 21 | V | 50.5 | Low | 52 | Low | 111 Ų | 111 | 116.1 Ų | 116.1 | 67% | 0.673 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -77.5 | -20.4 | 178.1 | 172 | 0 | 0 | 0 | 0 | 111.9 | V17 Q23 | V17-V21 HydrophobicContact CG1-CG2 4.1Å; V17-V21 WeakPolarHBondContact O-CB 3.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.18Å; V17-V21 PolarHBondContact O-N 2.83Å; V21-Q23 VanDerWaalsContact C-N 3.32Å |
| 22 | T | 43.1 | Very low | 50.6 | Low | 111 Ų | 111 | 119.4 Ų | 119.4 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 2.3 | 163.7 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | Q18 I19 A20 Q24 | Q18-T22 VanDerWaalsContact O-CB 3.3Å; Q18-T22 WeakPolarHBondContact O-CB 3.42Å; Q18-T22 VanDerWaalsContact O-CG2 3.24Å; Q18-T22 WeakPolarHBondContact O-CG2 3.4Å; Q18-T22 PolarHBondContact O-N 2.76Å; Q18-T22 PolarHBondContact O-OG1 2.6Å; I19-T22 WeakPolarHBondContact CA-OG1 3.2Å; I19-T22 PolarHBondContact O-OG1 2.72Å; A20-T22 VanDerWaalsContact C-N 3.35Å; T22-Q24 VanDerWaalsContact C-N 3.33Å |
| 23 | Q | 38 | Very low | 49.3 | Very low | 154 Ų | 154 | 115.7 Ų | 115.7 | 72% | 0.72 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 24.6 | 170.1 | -84.6 | -173.8 | 54.3 | 0 | 0 | 114.3 | I19 A20 V21 | I19-Q23 WeakPolarHBondContact O-CG 3.12Å; I19-Q23 PolarHBondContact O-N 3.19Å; A20-Q23 WeakPolarHBondContact O-CB 3.27Å; A20-Q23 PolarHBondContact O-N 2.69Å; V21-Q23 VanDerWaalsContact C-N 3.32Å |
| 24 | Q | 40 | Very low | 48.1 | Very low | 168 Ų | 168 | 119.8 Ų | 119.8 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -137.1 | 156.2 | 154.1 | -95.5 | -178.5 | 15.6 | 0 | 0 | 111.9 | T22 | T22-Q24 VanDerWaalsContact C-N 3.33Š|
| 25 | I | 35.5 | Very low | 47.2 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 73% | 0.728 | 63% | 0.633 | S | S | * | * | trans | 70.2 | 63.9 | -176.2 | -38.1 | 178.4 | 0 | 0 | 0 | 114.9 | I27 | I25-I27 HydrophobicContact CG2-CB 4.31Å; I25-I27 HydrophobicContact CG2-CD1 4.13Å; I25-I27 HydrophobicContact CG2-CG1 4.08Å | ||
| 26 | D | 36.5 | Very low | 46.4 | Very low | 146 Ų | 146 | 127.4 Ų | 127.4 | 78% | 0.781 | 64% | 0.641 | S | S | * | * | trans | -101.3 | 81.6 | 134 | -166.9 | -6.4 | 0 | 0 | 0 | 108.8 | ||||
| 27 | I | 38 | Very low | 45.5 | Very low | 134 Ų | 134 | 126 Ų | 126 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | trans | -104.2 | 70.9 | 175.3 | -56.7 | 173.5 | 0 | 0 | 0 | 107.7 | I25 | I25-I27 HydrophobicContact CG2-CB 4.31Å; I25-I27 HydrophobicContact CG2-CD1 4.13Å; I25-I27 HydrophobicContact CG2-CG1 4.08Å | ||
| 28 | N | 37.5 | Very low | 44.7 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | trans | -163 | 38.3 | 161.5 | -98.2 | -35.9 | 0 | 0 | 0 | 115.1 | P30 | N28-P30 WeakPolarHBondContact O-CD 3.23Š| ||
| 29 | D | 42.2 | Very low | 44.5 | Very low | 80 Ų | 80 | 126 Ų | 126 | 43% | 0.428 | 65% | 0.65 | S | S | . | * | trans | -92.7 | 114.5 | 166.8 | 178.9 | 3.5 | 0 | 0 | 0 | 111.3 | Y31 R32 | D29-Y31 PolarHBondContact O-N 3.27Å; D29-Y31 PolarHBondContact OD1-N 2.69Å; D29-R32 HydrophobicContact CB-CB 4.37Å; D29-R32 VanDerWaalsContact OD2-CG 3.24Å; D29-R32 WeakPolarHBondContact OD2-CG 3.18Å; D29-R32 PolarHBondContact OD2-N 3.34Å; D29-R32 IonicContact OD2-NE 3.74Å | ||
| 30 | P | 43 | Very low | 43.7 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -11.7 | 177.2 | -18.7 | 33.1 | 0 | 0 | 0 | 115.4 | N28 | N28-P30 WeakPolarHBondContact O-CD 3.23Š|
| 31 | Y | 41 | Very low | 43.4 | Very low | 208 Ų | 208 | 132.8 Ų | 132.8 | 82% | 0.816 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 0.4 | -170 | -69.9 | -80.6 | 0 | 0 | 0 | 114.9 | D29 C33 | D29-Y31 PolarHBondContact O-N 3.27Å; D29-Y31 PolarHBondContact OD1-N 2.69Å; Y31-C33 PolarHBondContact O-N 3.24Å |
| 32 | R | 46.9 | Very low | 43.7 | Very low | 216 Ų | 216 | 130.7 Ų | 130.7 | 82% | 0.815 | 66% | 0.657 | S | S | * | * | trans | -69.4 | 98.4 | 172.4 | -108 | 173.1 | -170.4 | -139.2 | 2.4 | 112 | D29 | D29-R32 HydrophobicContact CB-CB 4.37Å; D29-R32 VanDerWaalsContact OD2-CG 3.24Å; D29-R32 WeakPolarHBondContact OD2-CG 3.18Å; D29-R32 PolarHBondContact OD2-N 3.34Å; D29-R32 IonicContact OD2-NE 3.74Å | ||
| 33 | C | 46.5 | Very low | 44.1 | Very low | 54 Ų | 54 | 135 Ų | 135 | 37% | 0.365 | 66% | 0.661 | S | S | . | * | trans | -57.4 | 137.1 | 171.3 | 162.9 | 0 | 0 | 0 | 0 | 111.5 | Y31 R35 C44 I45 | Y31-C33 PolarHBondContact O-N 3.24Å; C33-R35 PolarHBondContact O-N 2.92Å; C33-R35 VanDerWaalsContact O-N 3.17Å; C33-C44 HydrophobicContact CB-CB 4.46Å; C33-C44 WeakPolarHBondContact CB-SG 3.35Å; C33-C44 PolarHBondContact O-SG 3.2Å; C33-C44 VanDerWaalsContact O-SG 3.33Å; C33-C44 VanDerWaalsContact SG-CA 3.58Å; C33-C44 WeakPolarHBondContact SG-CB 3.39Å; C33-C44 CovalentContact SG-SG 2.03Å; C33-C44 PolarHBondContact SG-SG 2.93Å; C33-I45 PolarHBondContact SG-N 3.34Å | ||
| 34 | Q | 44.3 | Very low | 44.9 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 68% | 0.682 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.8 | 102.9 | -170.5 | -167.8 | 169.8 | 2.1 | 0 | 0 | 110.5 | I36 I45 | Q34-I36 PolarHBondContact O-N 2.86Å; Q34-I45 PolarHBondContact N-O 2.99Å; Q34-I45 PolarHBondContact O-N 2.75Å |
| 35 | R | 48.9 | Very low | 45.4 | Very low | 185 Ų | 185 | 127 Ų | 127 | 70% | 0.698 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.5 | 120.6 | 170.5 | -72.1 | -175.4 | 176.5 | -170.8 | -0.4 | 109.9 | C33 C44 | C33-R35 PolarHBondContact O-N 2.92Å; C33-R35 VanDerWaalsContact O-N 3.17Å; R35-C44 HydrophobicContact CG-CB 4.28Å |
| 36 | I | 52.3 | Low | 45.9 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 51% | 0.513 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.5 | 158.1 | -59.1 | 179.9 | 0 | 0 | 0 | 105.9 | Q34 C42 R43 I45 | Q34-I36 PolarHBondContact O-N 2.86Å; I36-C42 CarbonylContact O-C 3.58Å; I36-C42 WeakPolarHBondContact O-CA 3.38Å; I36-R43 PolarHBondContact N-O 3.14Å; I36-R43 PolarHBondContact O-N 2.89Å; I36-I45 HydrophobicContact CD1-CD1 4.01Å |
| 37 | C | 47.4 | Very low | 46.1 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 47% | 0.473 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.3 | 177.4 | -52.4 | 0 | 0 | 0 | 0 | 109 | C42 | C37-C42 HydrophobicContact CB-CB 4.06Å; C37-C42 WeakPolarHBondContact CB-SG 3.15Å; C37-C42 WeakPolarHBondContact SG-CB 3.13Å; C37-C42 CovalentContact SG-SG 2.04Å; C37-C42 PolarHBondContact SG-SG 3.34Å |
| 38 | T | 44.8 | Very low | 46.2 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.1 | 167 | 150.3 | 56.4 | 0 | 0 | 0 | 0 | 107.8 | E40 K41 | T38-E40 PolarHBondContact O-N 3.25Å; T38-K41 PolarHBondContact N-O 2.78Å; T38-K41 PolarHBondContact O-N 3.29Å |
| 39 | P | 48.6 | Very low | 46.4 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -21.9 | -169.7 | -32.6 | 37.9 | 0 | 0 | 0 | 116.6 | ||
| 40 | E | 40.7 | Very low | 46.4 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 56% | 0.561 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -23.4 | -178.2 | -57 | -164.4 | 142.4 | 0 | 0 | 115.6 | T38 P1516 | T38-E40 PolarHBondContact O-N 3.25Å; E40-P1516 VanDerWaalsContact OE1-CG 3.23Å; E40-P1516 WeakPolarHBondContact OE1-CG 2.98Å; E40-P1516 WeakPolarHBondContact OE2-CD 3.23Å |
| 41 | K | 45 | Very low | 46.5 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 74% | 0.739 | 64% | 0.638 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -148.6 | 128.5 | -179.5 | -67.8 | -171.7 | -179.1 | 172.4 | 0 | 113.5 | T38 | T38-K41 PolarHBondContact N-O 2.78Å; T38-K41 PolarHBondContact O-N 3.29Å |
| 42 | C | 57.7 | Low | 46.9 | Very low | 67 Ų | 67 | 123.3 Ų | 123.3 | 45% | 0.453 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.7 | 166 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | I36 C37 | I36-C42 CarbonylContact O-C 3.58Å; I36-C42 WeakPolarHBondContact O-CA 3.38Å; C37-C42 HydrophobicContact CB-CB 4.06Å; C37-C42 WeakPolarHBondContact CB-SG 3.15Å; C37-C42 WeakPolarHBondContact SG-CB 3.13Å; C37-C42 CovalentContact SG-SG 2.04Å; C37-C42 PolarHBondContact SG-SG 3.34Å |
| 43 | R | 51.8 | Low | 47.1 | Very low | 201 Ų | 201 | 119.2 Ų | 119.2 | 76% | 0.758 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.5 | 168.2 | -167.5 | 171.9 | -172.4 | 165.1 | 4.2 | 110.1 | I36 | I36-R43 PolarHBondContact N-O 3.14Å; I36-R43 PolarHBondContact O-N 2.89Å |
| 44 | C | 54 | Low | 47.3 | Very low | 61 Ų | 61 | 126.7 Ų | 126.7 | 41% | 0.412 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 122.2 | 179.8 | -152.8 | 0 | 0 | 0 | 0 | 110.5 | C33 R35 | C33-C44 HydrophobicContact CB-CB 4.46Å; C33-C44 WeakPolarHBondContact CB-SG 3.35Å; C33-C44 PolarHBondContact O-SG 3.2Å; C33-C44 VanDerWaalsContact O-SG 3.33Å; C33-C44 VanDerWaalsContact SG-CA 3.58Å; C33-C44 WeakPolarHBondContact SG-CB 3.39Å; C33-C44 CovalentContact SG-SG 2.03Å; C33-C44 PolarHBondContact SG-SG 2.93Å; R35-C44 HydrophobicContact CG-CB 4.28Å |
| 45 | I | 49.9 | Very low | 47.9 | Very low | 92 Ų | 92 | 122.3 Ų | 122.3 | 47% | 0.472 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 107.9 | 177.9 | -55.2 | -178.7 | 0 | 0 | 0 | 108.4 | C33 Q34 I36 | C33-I45 PolarHBondContact SG-N 3.34Å; Q34-I45 PolarHBondContact N-O 2.99Å; Q34-I45 PolarHBondContact O-N 2.75Å; I36-I45 HydrophobicContact CD1-CD1 4.01Å |
| 46 | G | 47.3 | Very low | 48.1 | Very low | 48 Ų | 48 | 119.7 Ų | 119.7 | 50% | 0.495 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -72 | 151.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 47 | R | 40.5 | Very low | 48.2 | Very low | 248 Ų | 248 | 121.7 Ų | 121.7 | 94% | 0.936 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.5 | 167.6 | -70.1 | -176.4 | 175.5 | -175.3 | 1.5 | 109.2 | G49 | R47-G49 PolarHBondContact O-N 3.46Å; R47-G49 VanDerWaalsContact O-N 3.1Å |
| 48 | K | 39.1 | Very low | 48.3 | Very low | 174 Ų | 174 | 121.1 Ų | 121.1 | 76% | 0.757 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 123.4 | 163.7 | -172 | -168.5 | 174.5 | -161.2 | 0 | 106.6 | E51 | K48-E51 IonicContact NZ-OE1 3.47Å; K48-E51 PolarHBondContact NZ-OE1 3.01Å |
| 49 | G | 43 | Very low | 48.4 | Very low | 55 Ų | 55 | 121 Ų | 121 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 150 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | R47 E51 | R47-G49 PolarHBondContact O-N 3.46Å; R47-G49 VanDerWaalsContact O-N 3.1Å; G49-E51 PolarHBondContact O-N 2.99Å |
| 50 | I | 42.2 | Very low | 48.7 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 132.4 | 156.1 | -53.3 | 172.3 | 0 | 0 | 0 | 105.3 | G52 | I50-G52 PolarHBondContact O-N 3.05Å; I50-G52 VanDerWaalsContact O-N 3.15Å |
| 51 | E | 44.6 | Very low | 49.2 | Very low | 153 Ų | 153 | 119.2 Ų | 119.2 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122.9 | 176.5 | -80.2 | 161.2 | -170.9 | 0 | 0 | 108.5 | K48 G49 | K48-E51 IonicContact NZ-OE1 3.47Å; K48-E51 PolarHBondContact NZ-OE1 3.01Å; G49-E51 PolarHBondContact O-N 2.99Å |
| 52 | G | 50.3 | Low | 49.1 | Very low | 54 Ų | 54 | 120.4 Ų | 120.4 | 56% | 0.557 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 158.6 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | I50 F54 | I50-G52 PolarHBondContact O-N 3.05Å; I50-G52 VanDerWaalsContact O-N 3.15Å; G52-F54 PolarHBondContact O-N 3.13Å |
| 53 | P | 50.3 | Low | 48.5 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 84% | 0.844 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 138.6 | 166.4 | 26.4 | -34.1 | 0 | 0 | 0 | 108.5 | G55 | P53-G55 PolarHBondContact O-N 3.43Š|
| 54 | F | 50.8 | Low | 48.3 | Very low | 210 Ų | 210 | 118.2 Ų | 118.2 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 128.3 | 174.2 | -80.5 | -94.1 | 0 | 0 | 0 | 108.7 | G52 | G52-F54 PolarHBondContact O-N 3.13Š|
| 55 | G | 56.4 | Low | 47.8 | Very low | 55 Ų | 55 | 125.3 Ų | 125.3 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 152.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P53 V57 | P53-G55 PolarHBondContact O-N 3.43Å; G55-V57 PolarHBondContact O-N 2.8Å |
| 56 | P | 53.2 | Low | 47.5 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 132.3 | 173.4 | 24.3 | -33.8 | 0 | 0 | 0 | 108.4 | G58 | P56-G58 PolarHBondContact O-N 3.24Š|
| 57 | V | 53.9 | Low | 47.5 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 119.7 | 180 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | G55 A59 | G55-V57 PolarHBondContact O-N 2.8Å; V57-A59 PolarHBondContact O-N 2.69Å |
| 58 | G | 50.7 | Low | 47.8 | Very low | 59 Ų | 59 | 125 Ų | 125 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 139.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | P56 | P56-G58 PolarHBondContact O-N 3.24Š|
| 59 | A | 46.6 | Very low | 47.9 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -47 | 132.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | V57 G61 | V57-A59 PolarHBondContact O-N 2.69Å; A59-G61 PolarHBondContact O-N 2.81Å; A59-G61 VanDerWaalsContact O-N 3.13Å |
| 60 | P | 55.7 | Low | 48.5 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 126.7 | 178.7 | -27.8 | 34.8 | 0 | 0 | 0 | 109.3 | E62 | P60-E62 PolarHBondContact O-N 3.25Š|
| 61 | G | 49.4 | Very low | 48.9 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 138.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A59 I63 | A59-G61 PolarHBondContact O-N 2.81Å; A59-G61 VanDerWaalsContact O-N 3.13Å; G61-I63 PolarHBondContact O-N 3.47Å |
| 62 | E | 43.6 | Very low | 49 | Very low | 195 Ų | 195 | 121.4 Ų | 121.4 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 134.8 | -173.4 | -68 | -173.9 | 128.3 | 0 | 0 | 110.8 | P60 G64 | P60-E62 PolarHBondContact O-N 3.25Å; E62-G64 PolarHBondContact O-N 3.39Å |
| 63 | I | 44.2 | Very low | 48.7 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -58.1 | 110.9 | -174.4 | -62.9 | 172.2 | 0 | 0 | 0 | 107.8 | G61 F65 | G61-I63 PolarHBondContact O-N 3.47Å; I63-F65 PolarHBondContact O-N 2.74Å | ||
| 64 | G | 48.1 | Very low | 48.2 | Very low | 65 Ų | 65 | 123.8 Ų | 123.8 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 127.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E62 | E62-G64 PolarHBondContact O-N 3.39Š|
| 65 | F | 43.8 | Very low | 48.1 | Very low | 210 Ų | 210 | 120.1 Ų | 120.1 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 141.3 | -168.5 | -78.3 | -93.2 | 0 | 0 | 0 | 112.5 | I63 G67 | I63-F65 PolarHBondContact O-N 2.74Å; F65-G67 PolarHBondContact O-N 2.71Å; F65-G67 VanDerWaalsContact O-N 3.14Å |
| 66 | I | 43.2 | Very low | 47.3 | Very low | 154 Ų | 154 | 121 Ų | 121 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 117.2 | -178.3 | -63.7 | 168.1 | 0 | 0 | 0 | 109.3 | ||
| 67 | G | 48.8 | Very low | 46.7 | Very low | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 138.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110 | F65 | F65-G67 PolarHBondContact O-N 2.71Å; F65-G67 VanDerWaalsContact O-N 3.14Å |
| 68 | D | 46.2 | Very low | 46 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 150.5 | -162.4 | -66.8 | -70.3 | 0 | 0 | 0 | 115.9 | G70 | D68-G70 PolarHBondContact O-N 2.94Š|
| 69 | L | 40.5 | Very low | 45.5 | Very low | 169 Ų | 169 | 125.9 Ų | 125.9 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -71.9 | 106.3 | -175.5 | -158.6 | 83.2 | 0 | 0 | 0 | 111.4 | ||||
| 70 | G | 55.1 | Low | 45 | Very low | 62 Ų | 62 | 131.4 Ų | 131.4 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 131.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D68 | D68-G70 PolarHBondContact O-N 2.94Š|
| 71 | P | 51.8 | Low | 44.6 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 146.1 | -174.1 | 27.5 | -34.9 | 0 | 0 | 0 | 112.6 | ||
| 72 | P | 46.4 | Very low | 44.3 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 133.8 | -179.6 | 28 | -34.5 | 0 | 0 | 0 | 112.3 | ||
| 73 | G | 44.6 | Very low | 44 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | -105.6 | 143.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 74 | N | 38.5 | Very low | 44 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -68.5 | 150.6 | -165.5 | -60.2 | -29.8 | 0 | 0 | 0 | 115.2 | ||||
| 75 | P | 48.5 | Very low | 43.7 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -89.4 | 149.1 | 175.8 | 35.2 | -34.7 | 0 | 0 | 0 | 114.4 | ||||
| 76 | G | 41.3 | Very low | 43.4 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | 102.7 | 149.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 77 | T | 40.4 | Very low | 43.3 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 93% | 0.933 | 83% | 0.83 | S | S | * | * | cis | -130.2 | -164 | 11.5 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 78 | K | 38.7 | Very low | 43.1 | Very low | 213 Ų | 213 | 134.7 Ų | 134.7 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | trans | -129.8 | 131.3 | -171.7 | 176.3 | -170.7 | 173.9 | -170.4 | 0 | 111.7 | ||||
| 79 | G | 39.6 | Very low | 43 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | trans | 137.1 | 145.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 80 | E | 37.4 | Very low | 43.2 | Very low | 206 Ų | 206 | 136.8 Ų | 136.8 | 96% | 0.963 | 82% | 0.822 | S | S | * | * | cis | -134.3 | -165 | 2.4 | -62.6 | -176.4 | 122 | 0 | 0 | 110.6 | ||||
| 81 | K | 45.7 | Very low | 42.8 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | trans | -120.2 | 130.2 | -178.2 | 177.5 | -165.7 | 172.6 | -163.7 | 0 | 110.4 | ||||
| 82 | G | 44 | Very low | 42.3 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | -152.8 | 103.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 83 | D | 37.4 | Very low | 42 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | 56.3 | 175.3 | 147.1 | -57.7 | -16 | 0 | 0 | 0 | 122.8 | ||||
| 84 | T | 43.7 | Very low | 42.1 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | -112.9 | 137.5 | -145.9 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 85 | G | 42.5 | Very low | 42.2 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | -149.6 | 89.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 86 | Q | 37.4 | Very low | 42.1 | Very low | 207 Ų | 207 | 148 Ų | 148 | 97% | 0.967 | 82% | 0.819 | S | S | * | * | trans | 59 | 165.5 | 159.1 | -65.8 | -167.5 | -4.7 | 0 | 0 | 120.7 | ||||
| 87 | L | 41.7 | Very low | 42.4 | Very low | 178 Ų | 178 | 147 Ų | 147 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -111.1 | 123.1 | -158.5 | -177.7 | 69.9 | 0 | 0 | 0 | 113 | ||||
| 88 | G | 43.9 | Very low | 42.9 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 127.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 89 | R | 43.8 | Very low | 43.3 | Very low | 252 Ų | 252 | 144.8 Ų | 144.8 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 134.7 | -169.5 | -72.9 | 178.3 | 166.5 | -174 | -5.3 | 116.6 | ||
| 90 | Q | 44.3 | Very low | 43.5 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 57% | 0.57 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 126.7 | 166.7 | -179.5 | -162.2 | 54.7 | 0 | 0 | 112 | K397 | Q90-K397 PolarHBondContact O-NZ 3.21Š|
| 91 | G | 48 | Very low | 44 | Very low | 60 Ų | 60 | 139.9 Ų | 139.9 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 171.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 92 | F | 40.6 | Very low | 44.4 | Very low | 217 Ų | 217 | 135.8 Ų | 135.8 | 95% | 0.952 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 149.5 | -170.3 | -72.1 | -87.9 | 0 | 0 | 0 | 114.6 | ||
| 93 | K | 40.8 | Very low | 44.2 | Very low | 153 Ų | 153 | 136 Ų | 136 | 67% | 0.665 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 133.4 | 178.8 | -171.7 | 170.8 | -172.9 | 163.8 | 0 | 109.9 | D399 | K93-D399 WeakPolarHBondContact CE-OD2 3.22Å; K93-D399 IonicContact NZ-OD1 2.62Å; K93-D399 PolarHBondContact NZ-OD1 2.91Å; K93-D399 IonicContact NZ-OD2 3.66Å; K93-D399 PolarHBondContact NZ-OD2 3.06Å |
| 94 | G | 46.5 | Very low | 44.4 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 151.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 95 | E | 40.4 | Very low | 44.7 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 135.7 | -177.2 | -61.9 | 166.7 | 123 | 0 | 0 | 112.2 | G97 | E95-G97 PolarHBondContact O-N 2.9Š|
| 96 | R | 46.1 | Very low | 44.6 | Very low | 241 Ų | 241 | 137.9 Ų | 137.9 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -73 | 109.2 | 173.2 | -178.2 | -173.6 | -67.4 | 171.2 | -0 | 108.5 | ||||
| 97 | G | 48.4 | Very low | 44.9 | Very low | 52 Ų | 52 | 135.9 Ų | 135.9 | 54% | 0.536 | 77% | 0.77 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 152.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E95 Q99 | E95-G97 PolarHBondContact O-N 2.9Å; G97-Q99 PolarHBondContact O-N 3.22Å |
| 98 | P | 49.7 | Very low | 44.6 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.2 | -174.5 | 22.9 | -34 | 0 | 0 | 0 | 111.2 | G100 | P98-G100 PolarHBondContact O-N 3.07Å; P98-G100 VanDerWaalsContact O-N 3.15Å |
| 99 | Q | 47.6 | Very low | 44.5 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 119.3 | 179.2 | -176.1 | 171 | 1.1 | 0 | 0 | 109.2 | G97 | G97-Q99 PolarHBondContact O-N 3.22Š|
| 100 | G | 43.8 | Very low | 44.1 | Very low | 49 Ų | 49 | 134.1 Ų | 134.1 | 51% | 0.505 | 77% | 0.765 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 151.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P98 | P98-G100 PolarHBondContact O-N 3.07Å; P98-G100 VanDerWaalsContact O-N 3.15Å |
| 101 | P | 47.2 | Very low | 43.7 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 143.7 | 177 | 24.1 | -34 | 0 | 0 | 0 | 110.1 | G103 | P101-G103 PolarHBondContact O-N 3.47Å; P101-G103 VanDerWaalsContact O-N 3.12Å |
| 102 | P | 54.1 | Low | 43.1 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 121.4 | -178.8 | -27.8 | 35.4 | 0 | 0 | 0 | 111.3 | Y104 | P102-Y104 PolarHBondContact O-N 3.31Š|
| 103 | G | 39.8 | Very low | 42.8 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60 | 126.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P101 | P101-G103 PolarHBondContact O-N 3.47Å; P101-G103 VanDerWaalsContact O-N 3.12Å |
| 104 | Y | 43 | Very low | 42.9 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 140.4 | 174.6 | -66.9 | -84.5 | 0 | 0 | 0 | 110.6 | P102 G106 | P102-Y104 PolarHBondContact O-N 3.31Å; Y104-G106 PolarHBondContact O-N 2.9Å |
| 105 | P | 49.1 | Very low | 42.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 116.6 | 175.5 | -23.8 | 34 | 0 | 0 | 0 | 110.3 | Q107 | P105-Q107 PolarHBondContact O-N 2.99Å; P105-Q107 VanDerWaalsContact O-N 3.14Å |
| 106 | G | 41.4 | Very low | 42.2 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 117.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y104 | Y104-G106 PolarHBondContact O-N 2.9Š|
| 107 | Q | 41.7 | Very low | 41.9 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69 | 156.1 | 163.1 | -65.9 | -169.6 | 10.6 | 0 | 0 | 109.7 | P105 G109 | P105-Q107 PolarHBondContact O-N 2.99Å; P105-Q107 VanDerWaalsContact O-N 3.14Å; Q107-G109 PolarHBondContact O-N 2.98Å |
| 108 | H | 37.5 | Very low | 41.6 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122.5 | -169 | -67 | -84.4 | 0 | 0 | 0 | 112.5 | ||
| 109 | G | 39.8 | Very low | 41.2 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 135.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q107 | Q107-G109 PolarHBondContact O-N 2.98Š|
| 110 | F | 37 | Very low | 40.9 | Very low | 206 Ų | 206 | 135.2 Ų | 135.2 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 154.7 | 165.3 | -80.2 | -99.7 | 0 | 0 | 0 | 110.4 | G112 | F110-G112 PolarHBondContact O-N 2.95Š|
| 111 | D | 35 | Very low | 41 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 131.1 | -166.8 | -61.6 | -71.1 | 0 | 0 | 0 | 114.4 | ||
| 112 | G | 36.4 | Very low | 40.7 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 136.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F110 | F110-G112 PolarHBondContact O-N 2.95Š|
| 113 | Y | 33.9 | Very low | 40.1 | Very low | 228 Ų | 228 | 141.6 Ų | 141.6 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -57 | 142.4 | -176.8 | -72.9 | -99 | 0 | 0 | 0 | 113.5 | G115 | Y113-G115 PolarHBondContact O-N 2.88Š|
| 114 | P | 43.4 | Very low | 40.3 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 129.9 | 177 | 28.1 | -34.1 | 0 | 0 | 0 | 112 | ||
| 115 | G | 38.1 | Very low | 40 | Very low | 74 Ų | 74 | 138.7 Ų | 138.7 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77 | 160 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y113 | Y113-G115 PolarHBondContact O-N 2.88Š|
| 116 | F | 33.3 | Very low | 39.6 | Very low | 218 Ų | 218 | 137.6 Ų | 137.6 | 96% | 0.956 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 148.6 | -173.1 | -76.4 | -98.3 | 0 | 0 | 0 | 114 | ||
| 117 | M | 40.1 | Very low | 39.6 | Very low | 185 Ų | 185 | 137 Ų | 137 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 127.9 | 177.8 | -178.7 | 170.8 | 63.4 | 0 | 0 | 111.3 | ||
| 118 | G | 42.3 | Very low | 39.4 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71 | 155.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 119 | A | 41.8 | Very low | 39.6 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 149.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 120 | K | 40.5 | Very low | 39.4 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 129 | 175.6 | 177.5 | -168.2 | 171.2 | -156.9 | 0 | 109.6 | ||
| 121 | G | 45.5 | Very low | 39.4 | Very low | 62 Ų | 62 | 135.3 Ų | 135.3 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80 | 151.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 122 | D | 42 | Very low | 39.9 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 166.6 | -178.1 | -68 | -57.4 | 0 | 0 | 0 | 113.8 | ||
| 123 | K | 40.8 | Very low | 39.9 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 117.6 | -173.3 | -175 | -169.7 | 176.4 | -162.9 | 0 | 109.3 | ||
| 124 | G | 44.4 | Very low | 40.1 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | trans | -86 | -172.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 125 | D | 35.7 | Very low | 39.9 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -98.3 | 157.4 | -166.8 | -60.7 | -61.3 | 0 | 0 | 0 | 115.4 | ||||
| 126 | A | 40.2 | Very low | 39.8 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -86.5 | 163.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 127 | G | 41.8 | Very low | 39.9 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | 125 | 140 | 10.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 128 | C | 37.1 | Very low | 40.3 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 90% | 0.899 | 81% | 0.81 | S | S | * | * | trans | -136.3 | 147.5 | -178.1 | -68.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 129 | Y | 41.7 | Very low | 40.1 | Very low | 231 Ų | 231 | 129.9 Ų | 129.9 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -83.7 | 162.9 | 174 | -53.6 | -103.2 | 0 | 0 | 0 | 109.4 | ||||
| 130 | G | 36.6 | Very low | 39.9 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | 123.5 | 122.1 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 131 | D | 37.5 | Very low | 40.1 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -128 | 151 | -177.7 | -85.6 | -55.1 | 0 | 0 | 0 | 113.4 | ||||
| 132 | P | 44.1 | Very low | 39.6 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -95.4 | 171.5 | 175 | 22.3 | -3.8 | 0 | 0 | 0 | 112.3 | ||||
| 133 | G | 37.4 | Very low | 39.5 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | cis | 144.3 | 128.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 134 | E | 37.8 | Very low | 39.5 | Very low | 200 Ų | 200 | 125.5 Ų | 125.5 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | -130.8 | 158.1 | 176.4 | -146.7 | 173.5 | -136.8 | 0 | 0 | 111.4 | ||||
| 135 | N | 38.7 | Very low | 39.3 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -118.6 | 142.3 | -146.3 | -68.5 | -73 | 0 | 0 | 0 | 115.7 | ||||
| 136 | G | 35.7 | Very low | 39.4 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 99.9 | 153.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 137 | M | 36.6 | Very low | 39.5 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | cis | -103.4 | 159.2 | 0.7 | -79.3 | -169.5 | 168.7 | 0 | 0 | 113.5 | ||
| 138 | P | 47.8 | Very low | 39.6 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 140.8 | 177.8 | -17.5 | 31.9 | 0 | 0 | 0 | 112.5 | ||
| 139 | G | 38.4 | Very low | 39.8 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 170.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 140 | D | 37.2 | Very low | 40.2 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 127.4 | 170.8 | -133.5 | -29.1 | 0 | 0 | 0 | 110.4 | ||
| 141 | S | 44.8 | Very low | 40.5 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 132.8 | -164.4 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 142 | G | 36.4 | Very low | 40.2 | Very low | 56 Ų | 56 | 127.4 Ų | 127.4 | 58% | 0.577 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 150.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P144 | G142-P144 VanDerWaalsContact O-CD 3.27Å; G142-P144 WeakPolarHBondContact O-CD 3.2Å |
| 143 | R | 39.5 | Very low | 40 | Very low | 200 Ų | 200 | 126.4 Ų | 126.4 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -111.3 | 94.3 | 177.2 | -75.3 | -169 | 172.4 | -145.8 | -2.2 | 112 | ||||
| 144 | P | 39.4 | Very low | 40.6 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -54.2 | 147.5 | 168.2 | -25.4 | 34.9 | 0 | 0 | 0 | 112 | G142 | G142-P144 VanDerWaalsContact O-CD 3.27Å; G142-P144 WeakPolarHBondContact O-CD 3.2Å | ||
| 145 | G | 40.3 | Very low | 40.4 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -81.6 | -165.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 146 | I | 39.1 | Very low | 40 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 92% | 0.918 | 78% | 0.776 | S | S | * | * | trans | -145.3 | 149.5 | 169.5 | 33.2 | 172.9 | 0 | 0 | 0 | 110.1 | ||||
| 147 | K | 42.2 | Very low | 40.6 | Very low | 217 Ų | 217 | 127.2 Ų | 127.2 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | trans | -104.2 | 126.5 | 162.5 | -89.1 | -174.7 | 174 | -180 | 0 | 109 | ||||
| 148 | G | 42.9 | Very low | 40.6 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | -143.2 | 122.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 149 | L | 42.6 | Very low | 39.7 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | 75.2 | 129.3 | 76.4 | -75.1 | 169.5 | 0 | 0 | 0 | 112.3 | |||||
| 150 | P | 49.6 | Very low | 39.4 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -78.6 | 133.3 | -167.7 | -10.2 | 28.5 | 0 | 0 | 0 | 111.8 | ||||
| 151 | G | 43.3 | Very low | 39.5 | Very low | 62 Ų | 62 | 125.7 Ų | 125.7 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | -87.7 | 163.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 152 | F | 30.5 | Very low | 39.1 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | trans | -154 | 169.8 | 156 | -95.7 | -52.5 | 0 | 0 | 0 | 108.7 | I1067 | F152-I1067 HydrophobicContact CD1-CG2 3.9Å; F152-I1067 HydrophobicContact CE1-CB 4.47Å; F152-I1067 HydrophobicContact CE1-CD1 4.13Å; F152-I1067 HydrophobicContact CE1-CG1 4.15Å; F152-I1067 HydrophobicContact CE1-CG2 3.49Å; F152-I1067 VanDerWaalsContact CE1-CG2 3.49Å; F152-I1067 HydrophobicContact CZ-CG2 4.43Å | ||
| 153 | P | 40.3 | Very low | 39 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -74.8 | 154.4 | -132.3 | -20 | 33.7 | 0 | 0 | 0 | 117.5 | ||||
| 154 | G | 50.1 | Low | 38.7 | Very low | 71 Ų | 71 | 118.7 Ų | 118.7 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | -86.4 | -164.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 155 | N | 34.2 | Very low | 38.6 | Very low | 170 Ų | 170 | 115.8 Ų | 115.8 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | trans | -132.2 | 172.5 | -178.3 | -94.2 | -52.6 | 0 | 0 | 0 | 112.5 | ||||
| 156 | K | 28.4 | Very low | 38.5 | Very low | 205 Ų | 205 | 115.9 Ų | 115.9 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | -54.5 | 143.5 | 178.2 | -66.9 | 174.8 | 178.7 | 173.3 | 0 | 112.2 | ||||
| 157 | G | 49.1 | Very low | 38.3 | Very low | 75 Ų | 75 | 117 Ų | 117 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -87.4 | -177.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 158 | T | 35.9 | Very low | 38.3 | Very low | 136 Ų | 136 | 109.5 Ų | 109.5 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | trans | -119.6 | 137.9 | 172.3 | 50.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 159 | K | 28.9 | Very low | 38.2 | Very low | 204 Ų | 204 | 112.7 Ų | 112.7 | 89% | 0.887 | 68% | 0.677 | S | S | * | * | cis | 68.2 | 111.8 | 46.8 | -164.7 | -175.7 | -178.6 | -174.1 | 0 | 111 | ||||
| 160 | G | 33.1 | Very low | 37.8 | Very low | 58 Ų | 58 | 112.6 Ų | 112.6 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | cis | -148.1 | 178.7 | 7.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 161 | T | 38.4 | Very low | 37.2 | Very low | 128 Ų | 128 | 110 Ų | 110 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | 47.8 | 138.6 | 62.2 | 72 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 162 | P | 36.7 | Very low | 36.8 | Very low | 85 Ų | 85 | 116.2 Ų | 116.2 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | cis | -140.5 | -157.9 | -0.9 | 16.1 | 15.4 | 0 | 0 | 0 | 112.5 | P350 | P162-P350 VanDerWaalsContact CB-C 3.47Å; P162-P350 HydrophobicContact CB-CB 3.85Å; P162-P350 VanDerWaalsContact CB-N 3.33Å; P162-P350 WeakPolarHBondContact CB-O 3.46Å; P162-P350 HydrophobicContact CG-CB 4.38Å | ||
| 163 | G | 34.8 | Very low | 37.1 | Very low | 36 Ų | 36 | 115.5 Ų | 115.5 | 37% | 0.371 | 69% | 0.687 | S | S | . | * | cis | 153.2 | -176.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P350 R351 G352 | G163-P350 VanDerWaalsContact CA-C 3.4Å; G163-R351 VanDerWaalsContact CA-N 3.35Å; G163-G352 CarbonylContact C-O 3.59Å; G163-G352 WeakPolarHBondContact CA-O 3.41Å | ||
| 164 | W | 33.6 | Very low | 37 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 30% | 0.295 | 69% | 0.689 | S | S | . | * | cis | -119.1 | 163.8 | 11 | -164.1 | -122.9 | 0 | 0 | 0 | 110.7 | E166 R348 P350 R351 G352 Q353 | W164-E166 HydrophobicContact CZ2-CB 4.34Å; W164-E166 HydrophobicContact CZ2-CG 3.74Å; W164-R348 HydrophobicContact CE3-CB 4.06Å; W164-R348 HydrophobicContact CH2-CB 4.32Å; W164-R348 HydrophobicContact CH2-CG 4.05Å; W164-R348 VanDerWaalsContact CH2-NH1 3.34Å; W164-R348 HydrophobicContact CZ3-CB 3.64Å; W164-R348 HydrophobicContact CZ3-CG 3.76Å; W164-P350 HydrophobicContact CB-CB 3.87Å; W164-P350 HydrophobicContact CE3-CB 4.43Å; W164-R351 HydrophobicContact CD2-CB 4.11Å; W164-R351 HydrophobicContact CE3-CB 3.35Å; W164-R351 HydrophobicContact CH2-CB 3.77Å; W164-R351 HydrophobicContact CH2-CG 4.46Å; W164-R351 HydrophobicContact CZ3-CB 3.16Å; W164-R351 HydrophobicContact CZ3-CG 4.24Å; W164-G352 VanDerWaalsContact C-C 3.45Å; W164-G352 CarbonylContact C-O 3.49Å; W164-G352 PolarHBondContact N-O 2.86Å; W164-G352 CarbonylContact O-C 2.98Å; W164-G352 VanDerWaalsContact O-CA 3.28Å; W164-G352 WeakPolarHBondContact O-CA 3.15Å; W164-G352 VanDerWaalsContact O-O 3.04Å; W164-Q353 PolarHBondContact O-N 3.14Å | ||
| 165 | A | 37.8 | Very low | 36.4 | Very low | 52 Ų | 52 | 116.8 Ų | 116.8 | 43% | 0.43 | 70% | 0.696 | S | S | . | * | -161.8 | -162.8 | 57.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | R351 G352 | A165-R351 PolarHBondContact O-NE 2.87Å; A165-R351 PolarHBondContact O-NH2 2.85Å; A165-G352 VanDerWaalsContact N-N 3.11Å | |||
| 166 | E | 37.7 | Very low | 36.4 | Very low | 71 Ų | 71 | 120.1 Ų | 120.1 | 33% | 0.332 | 70% | 0.695 | S | S | . | * | trans | -75.8 | -171.8 | -160.5 | -105.3 | -47.6 | 36 | 0 | 0 | 116.3 | W164 R348 R351 | W164-E166 HydrophobicContact CZ2-CB 4.34Å; W164-E166 HydrophobicContact CZ2-CG 3.74Å; E166-R348 IonicContact OE1-CZ 3.81Å; E166-R348 IonicContact OE1-NH1 2.79Å; E166-R348 PolarHBondContact OE1-NH1 3.33Å; E166-R348 IonicContact OE1-NH2 3.02Å; E166-R348 IonicContact OE2-CZ 3.22Å; E166-R348 IonicContact OE2-NH1 2.69Å; E166-R348 PolarHBondContact OE2-NH1 2.82Å; E166-R348 IonicContact OE2-NH2 3.51Å; E166-R351 PolarHBondContact O-NH2 2.93Å; E166-R351 VanDerWaalsContact O-NH2 3.09Å; E166-R351 IonicContact OE1-CZ 3.6Å; E166-R351 IonicContact OE1-NH1 2.58Å; E166-R351 PolarHBondContact OE1-NH1 2.89Å; E166-R351 IonicContact OE1-NH2 3.57Å; E166-R351 PolarHBondContact OE1-NH2 3.3Å | ||
| 167 | R | 35.5 | Very low | 36.7 | Very low | 203 Ų | 203 | 113.3 Ų | 113.3 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | cis | -160 | 167.7 | -16.4 | 165.4 | 163.4 | -70.6 | -174.6 | 0.7 | 108.3 | ||||
| 168 | G | 41.2 | Very low | 36.5 | Very low | 60 Ų | 60 | 117.2 Ų | 117.2 | 62% | 0.619 | 69% | 0.686 | S | S | * | * | trans | 142.3 | 121.8 | 160 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 169 | T | 40.6 | Very low | 36.7 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 80% | 0.798 | 69% | 0.687 | S | S | * | * | trans | 39 | 105.4 | 158.5 | 49 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 170 | H | 35.1 | Very low | 37.5 | Very low | 170 Ų | 170 | 110.2 Ų | 110.2 | 79% | 0.787 | 68% | 0.676 | S | S | * | * | trans | 42.8 | 108.2 | 140.7 | -54.1 | -76.5 | 0 | 0 | 0 | 121.6 | ||||
| 171 | G | 36.2 | Very low | 37.8 | Very low | 74 Ų | 74 | 114 Ų | 114 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | trans | -136.8 | 122 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 172 | F | 34.7 | Very low | 37.4 | Very low | 193 Ų | 193 | 116.9 Ų | 116.9 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 137.5 | -168.1 | -78.7 | -89.4 | 0 | 0 | 0 | 113.6 | ||
| 173 | P | 37.6 | Very low | 37.5 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 140.3 | 164.3 | -14.6 | 29.8 | 0 | 0 | 0 | 111.7 | ||
| 174 | G | 37.8 | Very low | 37.7 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -101 | 147.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 175 | P | 36.3 | Very low | 38.1 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 172.9 | -152.8 | -17.4 | 34.6 | 0 | 0 | 0 | 117.4 | ||
| 176 | R | 35.8 | Very low | 38.1 | Very low | 239 Ų | 239 | 130.4 Ų | 130.4 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 147.6 | 163.1 | -177 | -179 | -171.8 | 164.9 | 0.6 | 110.9 | ||
| 177 | G | 34.2 | Very low | 38 | Very low | 62 Ų | 62 | 134.7 Ų | 134.7 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 152.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 178 | D | 44.2 | Very low | 38.6 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.4 | -163.9 | -42.5 | -84.9 | 0 | 0 | 0 | 114 | ||
| 179 | P | 40.7 | Very low | 38.7 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | -118.3 | 112 | 129 | -1.2 | 21.9 | 0 | 0 | 0 | 108.7 | |||||
| 180 | G | 44.8 | Very low | 38.4 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | -84.1 | 159.7 | -168 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 181 | P | 39.3 | Very low | 39.1 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -75.7 | 170 | 163.7 | 34.3 | -34.6 | 0 | 0 | 0 | 111.9 | ||||
| 182 | M | 30.7 | Very low | 39.1 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | trans | -104.4 | 141.8 | -175.4 | -177.3 | -168.4 | -55.1 | 0 | 0 | 111.1 | ||||
| 183 | G | 38.9 | Very low | 39.8 | Very low | 59 Ų | 59 | 127.8 Ų | 127.8 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | trans | 88.9 | 162.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 184 | D | 39.6 | Very low | 40.1 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | cis | -107.6 | 159.4 | 9 | -80.6 | -48.6 | 0 | 0 | 0 | 115.5 | ||||
| 185 | Y | 42.3 | Very low | 40 | Very low | 236 Ų | 236 | 130.9 Ų | 130.9 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -80.6 | 136.1 | 166.3 | -75 | -104.4 | 0 | 0 | 0 | 110.3 | ||||
| 186 | G | 36.3 | Very low | 40.6 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 155.8 | 126.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 187 | L | 37.1 | Very low | 40.4 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | cis | -133.1 | 157.7 | -15.7 | -90.2 | 169.7 | 0 | 0 | 0 | 107.5 | G189 | L187-G189 PolarHBondContact O-N 3.27Å; L187-G189 VanDerWaalsContact O-N 3.14Å | ||
| 188 | P | 48.3 | Very low | 40.3 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 66% | 0.662 | 81% | 0.806 | S | S | * | * | trans | -64.2 | 119.3 | -174.8 | 25.9 | -33.8 | 0 | 0 | 0 | 110.9 | Q190 | P188-Q190 PolarHBondContact O-N 3.33Š| ||
| 189 | G | 42.1 | Very low | 40 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -61 | 102 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | L187 | L187-G189 PolarHBondContact O-N 3.27Å; L187-G189 VanDerWaalsContact O-N 3.14Å | ||
| 190 | Q | 34 | Very low | 39.9 | Very low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -66.6 | 154.4 | -165.4 | -74.6 | 177.6 | -26.4 | 0 | 0 | 112.5 | P188 G192 | P188-Q190 PolarHBondContact O-N 3.33Å; Q190-G192 PolarHBondContact O-N 3.01Å | ||
| 191 | P | 50 | Low | 39.4 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | -65 | 124.9 | -179.9 | -17.5 | 30.9 | 0 | 0 | 0 | 111.6 | ||||
| 192 | G | 36.2 | Very low | 39.2 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | trans | 171.6 | 173.5 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q190 | Q190-G192 PolarHBondContact O-N 3.01Š| ||
| 193 | P | 48.7 | Very low | 39.7 | Very low | 133 Ų | 133 | 129 Ų | 129 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | cis | -85 | 150.1 | -11.2 | -6.1 | 25.8 | 0 | 0 | 0 | 111.7 | ||||
| 194 | M | 44.5 | Very low | 39.5 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 97% | 0.966 | 81% | 0.806 | S | S | * | * | trans | -89.4 | 111.8 | 159.8 | -179 | -176.8 | 73.6 | 0 | 0 | 107.9 | ||||
| 195 | G | 35.8 | Very low | 39.2 | Very low | 59 Ų | 59 | 129.7 Ų | 129.7 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | trans | 177.4 | 142.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 196 | D | 48.5 | Very low | 39 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | cis | -128.4 | 165.3 | -2.3 | -82.8 | -47.2 | 0 | 0 | 0 | 112.5 | ||||
| 197 | A | 31.9 | Very low | 38.9 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -109.3 | 159.7 | -165 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 198 | G | 32.4 | Very low | 38.6 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 117.4 | 136.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 199 | N | 37.8 | Very low | 38.1 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | cis | -137.3 | 163.7 | -0.6 | -101.1 | -33.5 | 0 | 0 | 0 | 113.9 | ||||
| 200 | R | 38.1 | Very low | 37.7 | Very low | 206 Ų | 206 | 133.7 Ų | 133.7 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -107.6 | 111.3 | -155.5 | 177.5 | -175.7 | -175 | 173.2 | 0 | 111.6 | ||||
| 201 | G | 34.6 | Very low | 37.7 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -74 | 125.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 202 | L | 35.5 | Very low | 37.3 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -62.1 | 143.1 | -163.2 | -78.5 | 162.6 | 0 | 0 | 0 | 116 | G204 | L202-G204 PolarHBondContact O-N 2.84Š| ||
| 203 | T | 40.2 | Very low | 37.2 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -76.7 | 114 | 172.4 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 204 | G | 34.8 | Very low | 36.5 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -70.7 | 126.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L202 | L202-G204 PolarHBondContact O-N 2.84Š| ||
| 205 | L | 34.8 | Very low | 36.6 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -68.9 | 144.8 | -163.2 | -80.7 | 161.7 | 0 | 0 | 0 | 115.7 | G207 | L205-G207 PolarHBondContact O-N 3.05Š| ||
| 206 | K | 38.1 | Very low | 36.8 | Very low | 191 Ų | 191 | 129.3 Ų | 129.3 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -62 | 109 | 172.4 | 172.9 | -172.9 | 174.9 | -174.3 | 0 | 111.9 | ||||
| 207 | G | 34.1 | Very low | 36.2 | Very low | 64 Ų | 64 | 129.4 Ų | 129.4 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 155.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L205 | L205-G207 PolarHBondContact O-N 3.05Š|
| 208 | F | 29.7 | Very low | 36.4 | Very low | 211 Ų | 211 | 130.2 Ų | 130.2 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 165.1 | -172.2 | -78.6 | -99.7 | 0 | 0 | 0 | 114.6 | ||
| 209 | K | 38.1 | Very low | 36.6 | Very low | 208 Ų | 208 | 130.9 Ų | 130.9 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 127.8 | -167.7 | 177.3 | -176.2 | 176.6 | -173.9 | 0 | 113.6 | ||
| 210 | G | 34.2 | Very low | 36.4 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 169.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 211 | A | 33.1 | Very low | 36.3 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 159.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1008 | A211-P1008 HydrophobicContact CB-CG 3.7Š|
| 212 | R | 41.5 | Very low | 36.1 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 59% | 0.585 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -92 | 132.7 | -178.8 | 174.3 | 175.2 | 171.5 | -164.1 | -7.4 | 112.4 | G1010 R1011 | R212-G1010 PolarHBondContact NH1-O 2.82Å; R212-R1011 PolarHBondContact NH1-O 3.46Å; R212-R1011 PolarHBondContact NH2-O 2.74Å |
| 213 | G | 34.6 | Very low | 35.8 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -83 | 169.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 214 | F | 34.9 | Very low | 35.4 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 158.7 | -176.7 | -71.1 | -84.6 | 0 | 0 | 0 | 113.9 | ||
| 215 | P | 45.8 | Very low | 35.2 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 153 | -173.4 | -1.5 | 22.6 | 0 | 0 | 0 | 114.4 | ||
| 216 | G | 40.1 | Very low | 35 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -90.2 | 178.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 217 | I | 36.6 | Very low | 34.8 | Very low | 177 Ų | 177 | 118 Ų | 118 | 91% | 0.908 | 70% | 0.704 | S | S | * | * | trans | -107 | 154.2 | -169.1 | -45 | 176 | 0 | 0 | 0 | 111.4 | ||||
| 218 | K | 34.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 53% | 0.526 | 70% | 0.696 | S | S | . | * | trans | -82.3 | 155.6 | -179.6 | -64 | -172 | 179.8 | -169.9 | 0 | 113.9 | G813 | K218-G813 PolarHBondContact NZ-O 3.17Š| ||
| 219 | G | 38 | Very low | 34.7 | Very low | 80 Ų | 80 | 113 Ų | 113 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | trans | -97 | -179.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 220 | R | 34 | Very low | 34.3 | Very low | 247 Ų | 247 | 111.7 Ų | 111.7 | 93% | 0.932 | 68% | 0.68 | S | S | * | * | trans | -114.8 | 165.1 | 177.8 | -105.1 | -173.9 | 173.2 | -176.1 | -2 | 111.5 | ||||
| 221 | P | 36 | Very low | 34 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | trans | -78.4 | 166.3 | -166.8 | 32.5 | -37 | 0 | 0 | 0 | 114.7 | ||||
| 222 | A | 29.4 | Very low | 34.1 | Very low | 102 Ų | 102 | 116 Ų | 116 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | trans | -93.4 | 160.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 223 | A | 30.3 | Very low | 33.5 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | trans | -115.3 | 174.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 224 | P | 31.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | -70 | 156.4 | -162.2 | 29 | -34.9 | 0 | 0 | 0 | 114.1 | ||||
| 225 | I | 29.9 | Very low | 33.7 | Very low | 130 Ų | 130 | 116.6 Ų | 116.6 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | trans | -78.3 | 125.4 | -172.9 | -37 | 175.7 | 0 | 0 | 0 | 110.3 | Q1712 | I225-Q1712 VanDerWaalsContact CG2-NE2 3.31Š| ||
| 226 | T | 29.7 | Very low | 32.9 | Very low | 53 Ų | 53 | 120.3 Ų | 120.3 | 33% | 0.325 | 70% | 0.697 | S | S | . | * | trans | -110.4 | 156.3 | 168.9 | 61.8 | 0 | 0 | 0 | 0 | 108.9 | E228 L1617 | T226-E228 PolarHBondContact O-N 3.23Å; T226-E228 VanDerWaalsContact O-N 3.12Å; T226-L1617 HydrophobicContact CG2-CB 3.84Å; T226-L1617 HydrophobicContact CG2-CD2 4.33Å | ||
| 227 | I | 34.6 | Very low | 32.7 | Very low | 24 Ų | 24 | 129 Ų | 129 | 12% | 0.123 | 71% | 0.708 | C | S | . | * | trans | -80.7 | 94.3 | 166.9 | -56.6 | -165.1 | 0 | 0 | 0 | 107.8 | Y1615 L1696 H1710 Q1712 | I227-Y1615 HydrophobicContact CB-CG 4.47Å; I227-Y1615 HydrophobicContact CG2-CD1 4Å; I227-Y1615 HydrophobicContact CG2-CD2 3.93Å; I227-Y1615 HydrophobicContact CG2-CG 3.64Å; I227-Y1615 WeakPolarHBondContact O-CB 3.25Å; I227-L1696 HydrophobicContact CD1-CD2 4.32Å; I227-H1710 HydrophobicContact CD1-CB 4.02Å; I227-H1710 WeakPolarHBondContact CD1-O 3.19Å; I227-Q1712 HydrophobicContact CD1-CB 4.48Å; I227-Q1712 HydrophobicContact CD1-CG 4.02Å; I227-Q1712 HydrophobicContact CG1-CG 3.91Å | ||
| 228 | E | 30.2 | Very low | 33 | Very low | 108 Ų | 108 | 123 Ų | 123 | 51% | 0.505 | 69% | 0.69 | S | S | . | * | trans | -110.3 | 143.2 | 153.1 | -65.9 | -159 | 121.4 | 0 | 0 | 108.3 | T226 Q230 Q1614 L1617 | T226-E228 PolarHBondContact O-N 3.23Å; T226-E228 VanDerWaalsContact O-N 3.12Å; E228-Q230 PolarHBondContact O-N 2.76Å; E228-Q1614 PolarHBondContact OE1-NE2 2.79Å; E228-L1617 HydrophobicContact CG-CD2 3.57Å | ||
| 229 | G | 31.9 | Very low | 32.9 | Very low | 61 Ų | 61 | 123.5 Ų | 123.5 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | -60.1 | 124.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | K231 | G229-K231 PolarHBondContact O-N 3.32Š| ||
| 230 | Q | 28.4 | Very low | 32.7 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | trans | -74.5 | 77.7 | -175.7 | -70.8 | -166.4 | -0.5 | 0 | 0 | 112.1 | E228 G232 | E228-Q230 PolarHBondContact O-N 2.76Å; Q230-G232 PolarHBondContact O-N 3.38Å; Q230-G232 VanDerWaalsContact O-N 3.16Å | ||
| 231 | K | 29.2 | Very low | 32.7 | Very low | 199 Ų | 199 | 122.9 Ų | 122.9 | 87% | 0.865 | 70% | 0.701 | S | S | * | * | trans | 9.9 | 94.1 | 143.9 | -176.3 | -179.4 | -177.2 | 172.7 | 0 | 113.8 | G229 | G229-K231 PolarHBondContact O-N 3.32Š| ||
| 232 | G | 35.2 | Very low | 32.8 | Very low | 35 Ų | 35 | 121.9 Ų | 121.9 | 36% | 0.361 | 70% | 0.698 | S | S | . | * | trans | -54.6 | 143.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q230 | Q230-G232 PolarHBondContact O-N 3.38Å; Q230-G232 VanDerWaalsContact O-N 3.16Å | ||
| 233 | D | 29.1 | Very low | 32.9 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | trans | -57.6 | 140.9 | 176.6 | -69.7 | -61.7 | 0 | 0 | 0 | 111.6 | G235 | D233-G235 PolarHBondContact O-N 2.77Š| ||
| 234 | K | 34 | Very low | 33 | Very low | 211 Ų | 211 | 122.2 Ų | 122.2 | 92% | 0.917 | 69% | 0.688 | S | S | * | * | trans | -64.6 | 110 | 173.5 | -84.7 | -170 | 172.3 | -175.1 | 0 | 109.6 | ||||
| 235 | G | 38.9 | Very low | 33 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | trans | -53.1 | 149.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D233 | D233-G235 PolarHBondContact O-N 2.77Š| ||
| 236 | Q | 29 | Very low | 33.4 | Very low | 196 Ų | 196 | 121.8 Ų | 121.8 | 92% | 0.916 | 68% | 0.675 | S | S | * | * | trans | -66.3 | 137.7 | 173.9 | -61.9 | -169.4 | 16.8 | 0 | 0 | 110 | G238 | Q236-G238 PolarHBondContact O-N 3.07Å; Q236-G238 VanDerWaalsContact O-N 3.09Å | ||
| 237 | R | 36.4 | Very low | 33.4 | Very low | 250 Ų | 250 | 124.7 Ų | 124.7 | 94% | 0.943 | 70% | 0.696 | S | S | * | * | trans | -66.5 | 108.4 | 177.8 | -174.3 | -175.9 | -170.5 | 179.3 | 5.7 | 109.6 | ||||
| 238 | G | 41.6 | Very low | 33.3 | Very low | 51 Ų | 51 | 130.1 Ų | 130.1 | 53% | 0.526 | 73% | 0.731 | S | S | . | * | trans | -60.3 | 166.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q236 | Q236-G238 PolarHBondContact O-N 3.07Å; Q236-G238 VanDerWaalsContact O-N 3.09Å | ||
| 239 | P | 33.2 | Very low | 33.3 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | trans | -61.4 | 158.3 | 178.7 | 27.1 | -34.5 | 0 | 0 | 0 | 112.2 | G241 | P239-G241 PolarHBondContact O-N 3.35Š| ||
| 240 | R | 34.3 | Very low | 33.2 | Very low | 241 Ų | 241 | 135.3 Ų | 135.3 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 84.3 | -172.5 | -175 | -172.8 | -175.4 | 176 | -0 | 111.6 | ||||
| 241 | G | 34.1 | Very low | 33.2 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110 | P239 | P239-G241 PolarHBondContact O-N 3.35Š|
| 242 | S | 37.3 | Very low | 33.4 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 144.6 | -178.5 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 243 | D | 32.6 | Very low | 33.2 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 153.7 | 159.8 | -57.1 | -91.7 | 0 | 0 | 0 | 111.1 | K719 | D243-K719 IonicContact OD1-NZ 3.96Å; D243-K719 PolarHBondContact OD1-NZ 3.17Å |
| 244 | G | 32.4 | Very low | 33.3 | Very low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | -175.6 | -144.2 | 4.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 245 | Y | 31.5 | Very low | 33.6 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 60% | 0.596 | 76% | 0.756 | S | S | * | * | trans | -38.9 | 146.2 | -169.3 | -74 | -76.1 | 0 | 0 | 0 | 118.9 | K719 G720 | Y245-K719 HydrophobicContact CE2-CG 4.24Å; Y245-K719 WeakPolarHBondContact OH-CG 3.11Å; Y245-G720 PolarHBondContact OH-O 3.2Å | ||
| 246 | P | 38 | Very low | 33.4 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 58% | 0.584 | 75% | 0.752 | S | S | * | * | trans | -94.9 | -175 | -179.7 | 40.5 | -38 | 0 | 0 | 0 | 114.6 | ||||
| 247 | C | 29.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 87.2 | 128.7 | -177.2 | -49.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 248 | T | 32.5 | Very low | 34 | Very low | 137 Ų | 137 | 129 Ų | 129 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | cis | -126 | -172.2 | 12.3 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 249 | L | 29.7 | Very low | 34.4 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -52.9 | 165.5 | 169 | -61.5 | 152.4 | 0 | 0 | 0 | 112 | ||||
| 250 | D | 29.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 130 Ų | 130 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | cis | -165.3 | 177.1 | 33.8 | -143.3 | -22.1 | 0 | 0 | 0 | 115 | ||||
| 251 | I | 29.1 | Very low | 35.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | trans | 71 | 113.7 | 147.6 | -78.1 | 161.1 | 0 | 0 | 0 | 121.6 | ||||
| 252 | H | 33.8 | Very low | 36.4 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | 62.4 | 161.1 | 140 | -67.7 | 61.9 | 0 | 0 | 0 | 121.4 | ||||
| 253 | A | 30.6 | Very low | 36.7 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | cis | -168.7 | 155.1 | -31.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 254 | Q | 31 | Very low | 37.6 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | 56.1 | 163.5 | 152.6 | -75.7 | 177.3 | -20.5 | 0 | 0 | 122.2 | ||||
| 255 | I | 41.3 | Very low | 38.3 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -93.8 | 140 | -173 | -67.5 | 166.2 | 0 | 0 | 0 | 110.8 | ||||
| 256 | G | 34.1 | Very low | 38.6 | Very low | 62 Ų | 62 | 133.4 Ų | 133.4 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | trans | -105.1 | 155.4 | 168 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 257 | P | 37.6 | Very low | 38.8 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 171.8 | -158.1 | 34.1 | -38 | 0 | 0 | 0 | 116.9 | ||||
| 258 | Q | 39.8 | Very low | 39.5 | Very low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 144.5 | -177.7 | -170.8 | 171.2 | -5.2 | 0 | 0 | 113.1 | ||||
| 259 | G | 50.3 | Low | 39.7 | Very low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -99.7 | -177.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 260 | P | 42.5 | Very low | 40.3 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 163.3 | -174 | 33.7 | -36.3 | 0 | 0 | 0 | 114.7 | ||
| 261 | Q | 46.6 | Very low | 40.6 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 149 | -168.7 | -167.7 | 172.5 | 5.2 | 0 | 0 | 113 | ||
| 262 | G | 53.5 | Low | 40.8 | Very low | 59 Ų | 59 | 135.3 Ų | 135.3 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 168.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 263 | P | 45.1 | Very low | 41.2 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 116.9 | -173.9 | 31.9 | -34 | 0 | 0 | 0 | 114.5 | ||
| 264 | I | 50.1 | Low | 41.5 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | 32.7 | 127.4 | 131.4 | -54.1 | 174.5 | 0 | 0 | 0 | 118.4 | ||||
| 265 | G | 48.4 | Very low | 41.8 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -128.4 | -170.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 266 | F | 36.7 | Very low | 41.8 | Very low | 217 Ų | 217 | 131.7 Ų | 131.7 | 95% | 0.952 | 78% | 0.78 | S | S | * | * | trans | -97.7 | 127.7 | -178.1 | -84 | -83.8 | 0 | 0 | 0 | 114.5 | ||||
| 267 | K | 42.5 | Very low | 42 | Very low | 199 Ų | 199 | 131.6 Ų | 131.6 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -47.8 | 147.6 | 159.8 | 172 | -175.5 | 177.8 | -173.1 | 0 | 112.3 | ||||
| 268 | G | 45.4 | Very low | 41.9 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | cis | 120 | 128.6 | 1.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 269 | D | 35.5 | Very low | 41.8 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -140.9 | 163.7 | 178.3 | -121.9 | -37.7 | 0 | 0 | 0 | 112.9 | ||||
| 270 | K | 44 | Very low | 41.2 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 68% | 0.683 | 77% | 0.774 | S | S | * | * | trans | -48.1 | 153 | -170.9 | -80.5 | -176.4 | 149.9 | -135.6 | 0 | 116.3 | D272 | K270-D272 IonicContact NZ-OD1 2.8Å; K270-D272 PolarHBondContact NZ-OD1 3.08Å; K270-D272 IonicContact NZ-OD2 2.86Å; K270-D272 PolarHBondContact NZ-OD2 3.34Å | ||
| 271 | G | 34.7 | Very low | 41.3 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 87.2 | 87 | -4.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 272 | D | 33.6 | Very low | 41 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -130.3 | 97.7 | 159.4 | -87.6 | -43.9 | 0 | 0 | 0 | 111.5 | K270 | K270-D272 IonicContact NZ-OD1 2.8Å; K270-D272 PolarHBondContact NZ-OD1 3.08Å; K270-D272 IonicContact NZ-OD2 2.86Å; K270-D272 PolarHBondContact NZ-OD2 3.34Å | ||
| 273 | R | 41.2 | Very low | 40.3 | Very low | 224 Ų | 224 | 127.1 Ų | 127.1 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | 42 | 123.7 | 136.9 | -160.8 | 170.6 | -156 | 162.7 | 6.2 | 120.7 | ||||
| 274 | G | 37.1 | Very low | 40.4 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | -92.9 | 150.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 275 | S | 38 | Very low | 40 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | -147.1 | 110.7 | 164.5 | 47.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 276 | I | 41 | Very low | 39.8 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | 66 | 118.3 | 83.6 | -64.5 | 171 | 0 | 0 | 0 | 110.4 | |||||
| 277 | G | 39.3 | Very low | 40.2 | Very low | 59 Ų | 59 | 124 Ų | 124 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | cis | -175.3 | -171.3 | 1.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 278 | D | 35.2 | Very low | 40.3 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | 48 | 128 | 136.7 | -31.3 | -39.1 | 0 | 0 | 0 | 118 | ||||
| 279 | F | 36.9 | Very low | 39.9 | Very low | 208 Ų | 208 | 121 Ų | 121 | 91% | 0.912 | 72% | 0.724 | S | S | * | * | cis | -152.4 | 161.2 | 37.8 | -96.1 | -98.1 | 0 | 0 | 0 | 113.2 | ||||
| 280 | G | 38.3 | Very low | 40.3 | Very low | 74 Ų | 74 | 119.9 Ų | 119.9 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | trans | 93.3 | 116.8 | 139 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 281 | E | 44.5 | Very low | 40.1 | Very low | 203 Ų | 203 | 117.3 Ų | 117.3 | 95% | 0.949 | 73% | 0.725 | S | S | * | * | trans | -98 | 140.4 | 161 | -75.1 | -167.6 | 126.5 | 0 | 0 | 111.9 | ||||
| 282 | A | 40.3 | Very low | 40.4 | Very low | 41 Ų | 41 | 117.7 Ų | 117.7 | 34% | 0.339 | 73% | 0.728 | S | S | . | * | trans | -174 | 157 | 135 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q1418 G1419 P1420 | A282-Q1418 CarbonylContact O-C 3.6Å; A282-G1419 WeakPolarHBondContact O-CA 3.16Å; A282-G1419 PolarHBondContact O-N 2.99Å; A282-P1420 HydrophobicContact CB-CG 3.62Å; A282-P1420 WeakPolarHBondContact O-CD 3.15Å | ||
| 283 | G | 38.3 | Very low | 40.5 | Very low | 44 Ų | 44 | 120.9 Ų | 120.9 | 45% | 0.454 | 74% | 0.739 | S | S | . | * | cis | -176.5 | 125.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 106 | Q1418 | G283-Q1418 PolarHBondContact O-NE2 3.18Å; G283-Q1418 PolarHBondContact O-OE1 2.76Å | ||
| 284 | F | 48.6 | Very low | 40.2 | Very low | 209 Ų | 209 | 120.2 Ų | 120.2 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | trans | -41.3 | 135.3 | -156 | -77.6 | -91.1 | 0 | 0 | 0 | 117.6 | Q1418 | F284-Q1418 VanDerWaalsContact CA-OE1 3.26Š| ||
| 285 | D | 40.5 | Very low | 40 | Very low | 141 Ų | 141 | 119.9 Ų | 119.9 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -136.6 | 161.2 | 155.3 | -130.9 | -36 | 0 | 0 | 0 | 112 | Q1418 | D285-Q1418 VanDerWaalsContact N-NE2 3.19Š| ||
| 286 | G | 44.5 | Very low | 39.8 | Very low | 49 Ų | 49 | 124 Ų | 124 | 51% | 0.505 | 75% | 0.753 | S | S | . | * | trans | -68.9 | 166.8 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | P288 | G286-P288 WeakPolarHBondContact O-CD 3.17Š| ||
| 287 | P | 45.7 | Very low | 39.8 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -104.9 | 86.3 | -169.3 | 38.8 | -35 | 0 | 0 | 0 | 116.8 | ||||
| 288 | P | 43.2 | Very low | 39.6 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -78.4 | 146.9 | 156.4 | 34.8 | -32.7 | 0 | 0 | 0 | 110.2 | G286 | G286-P288 WeakPolarHBondContact O-CD 3.17Š| ||
| 289 | G | 36.8 | Very low | 39.5 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | cis | 178.2 | 125.6 | -10 | 0 | 0 | 0 | 0 | 0 | 107.6 | A291 | G289-A291 PolarHBondContact O-N 3.23Š| ||
| 290 | I | 44.6 | Very low | 39.4 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | -98.3 | 99.6 | -164.4 | -20.4 | 174.1 | 0 | 0 | 0 | 113.7 | K1412 | I290-K1412 HydrophobicContact CD1-CD 4.09Å; I290-K1412 HydrophobicContact CD1-CG 3.97Å | ||
| 291 | A | 39.4 | Very low | 39.4 | Very low | 103 Ų | 103 | 126 Ų | 126 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -159.8 | 129.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | G289 | G289-A291 PolarHBondContact O-N 3.23Š| ||
| 292 | G | 40.9 | Very low | 39.5 | Very low | 73 Ų | 73 | 124.6 Ų | 124.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | 153.6 | 138.4 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 293 | E | 36.1 | Very low | 39.6 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -119.5 | 140.1 | -172.8 | -67.7 | -161.1 | 137.4 | 0 | 0 | 115.5 | ||||
| 294 | K | 34.4 | Very low | 39.8 | Very low | 210 Ų | 210 | 135.4 Ų | 135.4 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -109.3 | 140.9 | 149.7 | -56.3 | 166.4 | -176.7 | 169 | 0 | 104.8 | ||||
| 295 | G | 33.7 | Very low | 39.6 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | cis | 140.2 | 176.3 | 6.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 296 | L | 33.4 | Very low | 40.2 | Very low | 175 Ų | 175 | 131 Ų | 131 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | 70.4 | 169.7 | 175 | -48.7 | 172.6 | 0 | 0 | 0 | 115.4 | ||||
| 297 | P | 42.1 | Very low | 40 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | cis | -128.8 | 167 | -30.1 | 25.4 | -5.1 | 0 | 0 | 0 | 114.3 | ||||
| 298 | G | 34.9 | Very low | 39.8 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -170.8 | 154.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 299 | R | 33.2 | Very low | 40 | Very low | 198 Ų | 198 | 135 Ų | 135 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | trans | -139.1 | 140 | -174.5 | -86 | -179.7 | 67.4 | -175.7 | -1.3 | 114.7 | ||||
| 300 | H | 33.8 | Very low | 40.2 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | 71.3 | 143.9 | 149.7 | -64.8 | 0.5 | 0 | 0 | 0 | 118.8 | ||||
| 301 | G | 39.3 | Very low | 39.7 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 145.6 | 70.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 302 | D | 46.4 | Very low | 39.9 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -75.4 | 141.2 | 173.9 | -60.5 | -62.6 | 0 | 0 | 0 | 111.6 | ||||
| 303 | R | 42.1 | Very low | 39.7 | Very low | 250 Ų | 250 | 138.7 Ų | 138.7 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | trans | -144.5 | 127.4 | 160.7 | -154.4 | 168.8 | -172.1 | 168.7 | 2.4 | 110.8 | ||||
| 304 | G | 42.5 | Very low | 39.9 | Very low | 62 Ų | 62 | 135.2 Ų | 135.2 | 64% | 0.639 | 82% | 0.818 | S | S | * | * | trans | -92.9 | -179.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 305 | P | 43.4 | Very low | 40.3 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -76.4 | 145.4 | 178.8 | 31.3 | -34.5 | 0 | 0 | 0 | 112.9 | ||||
| 306 | P | 53.2 | Low | 40.5 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -80.2 | 172.9 | 167.4 | -2.3 | 21.5 | 0 | 0 | 0 | 112 | ||||
| 307 | G | 40.9 | Very low | 40.6 | Very low | 67 Ų | 67 | 133.1 Ų | 133.1 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | cis | 142.3 | 95 | -6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 308 | D | 41.3 | Very low | 40.4 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -92.3 | 127.2 | -174 | -58.7 | -31 | 0 | 0 | 0 | 112.5 | ||||
| 309 | T | 47.8 | Very low | 40.8 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -79.1 | 147.3 | 170.5 | 45 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 310 | G | 40.1 | Very low | 40.7 | Very low | 60 Ų | 60 | 124.2 Ų | 124.2 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | cis | 129.5 | 121.9 | -2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 311 | F | 35.1 | Very low | 40.9 | Very low | 213 Ų | 213 | 125.5 Ų | 125.5 | 93% | 0.934 | 75% | 0.75 | S | S | * | * | trans | -156.3 | 159.9 | 166.2 | -90.4 | -52.3 | 0 | 0 | 0 | 109.3 | ||||
| 312 | P | 43.6 | Very low | 40.8 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | -120.4 | 162.6 | -117.5 | 40.7 | -33.2 | 0 | 0 | 0 | 117.4 | |||||
| 313 | G | 36.7 | Very low | 40.6 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | 105.4 | 73.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 314 | S | 39.6 | Very low | 41 | Very low | 125 Ų | 125 | 117.3 Ų | 117.3 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -162.6 | 79 | 147.7 | 0.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 315 | Q | 44 | Very low | 40.9 | Very low | 200 Ų | 200 | 117.3 Ų | 117.3 | 94% | 0.935 | 72% | 0.72 | S | S | * | * | trans | 6.1 | 124.3 | 141.1 | -177.8 | 174.6 | -18.3 | 0 | 0 | 120.7 | ||||
| 316 | G | 38.2 | Very low | 40.4 | Very low | 59 Ų | 59 | 119 Ų | 119 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | trans | 96.5 | 109.7 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 317 | E | 33.5 | Very low | 39.8 | Very low | 146 Ų | 146 | 113.7 Ų | 113.7 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | trans | 60.2 | 158.2 | 156.2 | -66.2 | -156.1 | -172.6 | 0 | 0 | 119.6 | P1388 | E317-P1388 CarbonylContact C-O 3.58Å; E317-P1388 VanDerWaalsContact C-O 3.25Å; E317-P1388 WeakPolarHBondContact CA-O 2.98Å; E317-P1388 PolarHBondContact N-O 2.93Å; E317-P1388 VanDerWaalsContact N-O 3.13Å; E317-P1388 WeakPolarHBondContact O-CD 3.46Å | ||
| 318 | T | 38.5 | Very low | 39.7 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 53% | 0.534 | 67% | 0.671 | S | S | . | * | cis | -138.9 | 135 | -21.8 | 2.5 | 0 | 0 | 0 | 0 | 110 | K320 R1387 G1389 | T318-K320 PolarHBondContact O-N 3.38Å; T318-R1387 WeakPolarHBondContact O-CA 3.42Å; T318-R1387 PolarHBondContact O-N 2.86Å; T318-G1389 CarbonylContact C-O 3.54Å; T318-G1389 VanDerWaalsContact CA-O 3.27Å; T318-G1389 WeakPolarHBondContact CA-O 3.48Å; T318-G1389 VanDerWaalsContact CG2-O 3.24Å; T318-G1389 WeakPolarHBondContact CG2-O 3.41Å | ||
| 319 | G | 42.9 | Very low | 39.6 | Very low | 30 Ų | 30 | 111.5 Ų | 111.5 | 31% | 0.309 | 65% | 0.654 | S | S | . | * | trans | 41.2 | 28.9 | 147 | 0 | 0 | 0 | 0 | 0 | 126.5 | R321 R1387 G1389 | G319-R321 PolarHBondContact O-N 2.74Å; G319-R1387 PolarHBondContact O-NH2 2.72Å; G319-G1389 PolarHBondContact N-O 3.1Å | ||
| 320 | K | 31.8 | Very low | 39 | Very low | 95 Ų | 95 | 111.3 Ų | 111.3 | 41% | 0.413 | 65% | 0.645 | S | S | . | * | trans | -15 | 110.6 | 177.4 | -97.7 | 164.6 | -85.4 | -125.4 | 0 | 113.9 | T318 G1386 R1387 | T318-K320 PolarHBondContact O-N 3.38Å; K320-G1386 WeakPolarHBondContact CE-O 3.3Å; K320-G1386 VanDerWaalsContact CG-C 3.47Å; K320-G1386 PolarHBondContact NZ-O 2.9Å; K320-R1387 HydrophobicContact CB-CB 3.48Å; K320-R1387 VanDerWaalsContact CB-CB 3.48Å; K320-R1387 HydrophobicContact CB-CG 3.99Å; K320-R1387 HydrophobicContact CD-CB 3.97Å; K320-R1387 HydrophobicContact CG-CB 3.65Å; K320-R1387 PolarHBondContact O-NE 2.89Å; K320-R1387 VanDerWaalsContact O-NE 3.08Å; K320-R1387 PolarHBondContact O-NH2 2.99Å | ||
| 321 | R | 38.4 | Very low | 38.9 | Very low | 224 Ų | 224 | 112.1 Ų | 112.1 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | -59.4 | 150.3 | 129.9 | -178.6 | -174.2 | -56.9 | -171.5 | 2.9 | 108.5 | G319 | G319-R321 PolarHBondContact O-N 2.74Š| |||
| 322 | G | 36.2 | Very low | 38.8 | Very low | 55 Ų | 55 | 110 Ų | 110 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | trans | -157.1 | 119.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 323 | L | 43.2 | Very low | 38.7 | Very low | 127 Ų | 127 | 112.2 Ų | 112.2 | 67% | 0.665 | 65% | 0.651 | S | S | * | * | trans | 68.9 | 52.1 | 153.9 | -43 | -174.6 | 0 | 0 | 0 | 117.5 | N1384 | L323-N1384 HydrophobicContact CD2-CB 3.52Š| ||
| 324 | D | 50.8 | Low | 38.7 | Very low | 147 Ų | 147 | 111.7 Ų | 111.7 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | S | Bend | -66.6 | 142.6 | 127.1 | -67.8 | -57.8 | 0 | 0 | 0 | 107.9 | |||
| 325 | G | 39.4 | Very low | 38.6 | Very low | 63 Ų | 63 | 111.7 Ų | 111.7 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 30.2 | 117 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | P327 | G325-P327 WeakPolarHBondContact O-CB 3.46Š|
| 326 | E | 33.7 | Very low | 38.4 | Very low | 162 Ų | 162 | 111.5 Ų | 111.5 | 76% | 0.757 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -55 | 143.1 | 164.1 | -91.9 | -147.8 | 110.5 | 0 | 0 | 111.7 | F1381 | E326-F1381 VanDerWaalsContact O-CD1 3.23Å; E326-F1381 WeakPolarHBondContact O-CD1 3.33Å; E326-F1381 VanDerWaalsContact O-CE1 3.25Å; E326-F1381 WeakPolarHBondContact O-CE1 3.46Å |
| 327 | P | 40.6 | Very low | 38.3 | Very low | 18 Ų | 18 | 111.6 Ų | 111.6 | 12% | 0.117 | 64% | 0.64 | C | S | . | * | -134.9 | 156.3 | -115.7 | 41.2 | -28.2 | 0 | 0 | 0 | 115.2 | G325 F1381 R1382 G1383 N1384 | G325-P327 WeakPolarHBondContact O-CB 3.46Å; P327-F1381 VanDerWaalsContact CA-CD1 3.48Å; P327-F1381 CarbonylContact O-C 3.57Å; P327-F1381 WeakPolarHBondContact O-CA 3.3Å; P327-F1381 WeakPolarHBondContact O-CB 3.29Å; P327-F1381 WeakPolarHBondContact O-CD1 3.18Å; P327-F1381 WeakPolarHBondContact O-CG 3.2Å; P327-R1382 VanDerWaalsContact O-CA 3.23Å; P327-R1382 WeakPolarHBondContact O-CA 3.43Å; P327-R1382 PolarHBondContact O-N 3.09Å; P327-G1383 VanDerWaalsContact CG-CA 3.45Å; P327-N1384 WeakPolarHBondContact CB-ND2 3.15Å | |||
| 328 | G | 39.2 | Very low | 38.4 | Very low | 45 Ų | 45 | 112.3 Ų | 112.3 | 46% | 0.464 | 65% | 0.648 | S | S | . | * | trans | -63.4 | 143.5 | -175 | 0 | 0 | 0 | 0 | 0 | 116.6 | G1380 R1382 | G328-G1380 CarbonylContact C-O 2.78Å; G328-G1380 WeakPolarHBondContact CA-O 3.23Å; G328-R1382 CarbonylContact O-C 3.44Å | ||
| 329 | R | 38.1 | Very low | 38.8 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 55% | 0.547 | 66% | 0.661 | S | S | . | * | trans | -66.4 | 125 | 175.9 | -93.1 | -166.4 | -163.6 | 156.4 | -8.9 | 110.8 | D1379 G1380 R1382 | R329-D1379 WeakPolarHBondContact CD-O 3.24Å; R329-D1379 PolarHBondContact NH1-O 3.14Å; R329-G1380 PolarHBondContact N-O 3.39Å; R329-R1382 VanDerWaalsContact CA-O 3.27Å; R329-R1382 WeakPolarHBondContact CA-O 3.39Å | ||
| 330 | M | 34.6 | Very low | 38.5 | Very low | 140 Ų | 140 | 115.4 Ų | 115.4 | 69% | 0.69 | 67% | 0.672 | S | S | * | * | 13.5 | 109.3 | 118.3 | -169.8 | 168.2 | 71 | 0 | 0 | 117.8 | E332 | M330-E332 HydrophobicContact CG-CG 3.8Å; M330-E332 HydrophobicContact SD-CG 4.48Å | |||
| 331 | G | 38.5 | Very low | 39 | Very low | 78 Ų | 78 | 117 Ų | 117 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -132.8 | 129.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 332 | E | 33 | Very low | 39.3 | Very low | 168 Ų | 168 | 111.8 Ų | 111.8 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -100.3 | 156 | -162.3 | -64.2 | -172.1 | 119.4 | 0 | 0 | 114.8 | M330 | M330-E332 HydrophobicContact CG-CG 3.8Å; M330-E332 HydrophobicContact SD-CG 4.48Å | ||
| 333 | L | 41.5 | Very low | 39.8 | Very low | 169 Ų | 169 | 113.2 Ų | 113.2 | 89% | 0.885 | 70% | 0.701 | S | S | * | * | trans | 9.3 | 97.9 | 164.2 | -158.6 | 72.4 | 0 | 0 | 0 | 119 | ||||
| 334 | G | 37.6 | Very low | 39.2 | Very low | 62 Ų | 62 | 114.6 Ų | 114.6 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | trans | -81.6 | 147.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 335 | P | 37.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 114.1 Ų | 114.1 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | trans | -83.9 | 172.5 | -166.9 | 33.9 | -37.7 | 0 | 0 | 0 | 115.3 | G337 | P335-G337 PolarHBondContact O-N 3.07Š| ||
| 336 | K | 40 | Very low | 38.8 | Very low | 197 Ų | 197 | 114.5 Ų | 114.5 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | trans | -64.7 | 111.4 | 171.1 | 173.3 | -167 | 172 | -171.3 | 0 | 111.6 | ||||
| 337 | G | 34.6 | Very low | 38.8 | Very low | 61 Ų | 61 | 114.9 Ų | 114.9 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | -166.4 | 143.2 | 163 | 0 | 0 | 0 | 0 | 0 | 108.7 | P335 | P335-G337 PolarHBondContact O-N 3.07Š| ||
| 338 | D | 36.2 | Very low | 38.8 | Very low | 160 Ų | 160 | 119.8 Ų | 119.8 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | cis | -111.8 | 155.1 | 10 | -67.1 | -49.4 | 0 | 0 | 0 | 114.4 | ||||
| 339 | T | 46.7 | Very low | 38.6 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | -102.7 | 116 | 157.3 | -57.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 340 | G | 37.4 | Very low | 38.3 | Very low | 51 Ų | 51 | 116 Ų | 116 | 53% | 0.526 | 72% | 0.723 | S | S | . | * | trans | 111.1 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 341 | P | 42 | Very low | 38.5 | Very low | 128 Ų | 128 | 115.5 Ų | 115.5 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | S | Bend | cis | -71 | 168.6 | 0 | 29.9 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 342 | P | 44.1 | Very low | 38.3 | Very low | 114 Ų | 114 | 112.4 Ų | 112.4 | 74% | 0.74 | 68% | 0.682 | S | S | * | * | trans | -72 | 167.2 | -166.3 | -20.5 | 34.8 | 0 | 0 | 0 | 115.4 | I344 | P342-I344 PolarHBondContact O-N 2.85Š| ||
| 343 | G | 46.7 | Very low | 38.2 | Very low | 85 Ų | 85 | 113.2 Ų | 113.2 | 88% | 0.876 | 69% | 0.686 | S | S | * | * | trans | -70.1 | 93.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 344 | I | 31.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 114 Ų | 114 | 80% | 0.8 | 68% | 0.682 | S | S | * | * | trans | -78.6 | 119.9 | 169.1 | 45.1 | 172.9 | 0 | 0 | 0 | 111.5 | P342 | P342-I344 PolarHBondContact O-N 2.85Š| ||
| 345 | D | 34.7 | Very low | 38 | Very low | 138 Ų | 138 | 113.9 Ų | 113.9 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | 4.3 | 115 | 160.6 | -58.1 | -57.6 | 0 | 0 | 0 | 119.2 | E347 | D345-E347 PolarHBondContact O-N 3.43Š| ||
| 346 | G | 46.5 | Very low | 38.4 | Very low | 70 Ų | 70 | 115.7 Ų | 115.7 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | 66.2 | -12 | 77.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | R348 | G346-R348 PolarHBondContact O-N 3.34Š| |||
| 347 | E | 34.6 | Very low | 38.3 | Very low | 171 Ų | 171 | 112.5 Ų | 112.5 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | trans | -76.2 | 93.5 | -175.3 | -96.7 | -70.8 | 97.1 | 0 | 0 | 112.6 | D345 G349 | D345-E347 PolarHBondContact O-N 3.43Å; E347-G349 PolarHBondContact O-N 3.34Å | ||
| 348 | R | 38.8 | Very low | 38.4 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 46% | 0.457 | 68% | 0.679 | S | S | . | * | trans | -40.5 | 82.4 | 165.4 | -71.3 | 159.4 | 156 | -165.6 | -5 | 114.6 | W164 E166 G346 | W164-R348 HydrophobicContact CE3-CB 4.06Å; W164-R348 HydrophobicContact CH2-CB 4.32Å; W164-R348 HydrophobicContact CH2-CG 4.05Å; W164-R348 VanDerWaalsContact CH2-NH1 3.34Å; W164-R348 HydrophobicContact CZ3-CB 3.64Å; W164-R348 HydrophobicContact CZ3-CG 3.76Å; E166-R348 IonicContact OE1-CZ 3.81Å; E166-R348 IonicContact OE1-NH1 2.79Å; E166-R348 PolarHBondContact OE1-NH1 3.33Å; E166-R348 IonicContact OE1-NH2 3.02Å; E166-R348 IonicContact OE2-CZ 3.22Å; E166-R348 IonicContact OE2-NH1 2.69Å; E166-R348 PolarHBondContact OE2-NH1 2.82Å; E166-R348 IonicContact OE2-NH2 3.51Å; G346-R348 PolarHBondContact O-N 3.34Å | ||
| 349 | G | 36.1 | Very low | 38.5 | Very low | 57 Ų | 57 | 108.5 Ų | 108.5 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | trans | -47.5 | 117.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | E347 | E347-G349 PolarHBondContact O-N 3.34Š| ||
| 350 | P | 32 | Very low | 38 | Very low | 54 Ų | 54 | 110.3 Ų | 110.3 | 35% | 0.351 | 67% | 0.665 | S | S | . | * | trans | -54.2 | 173.2 | -141.4 | -39.3 | 41.4 | 0 | 0 | 0 | 124.7 | P162 G163 W164 | P162-P350 VanDerWaalsContact CB-C 3.47Å; P162-P350 HydrophobicContact CB-CB 3.85Å; P162-P350 VanDerWaalsContact CB-N 3.33Å; P162-P350 WeakPolarHBondContact CB-O 3.46Å; P162-P350 HydrophobicContact CG-CB 4.38Å; G163-P350 VanDerWaalsContact CA-C 3.4Å; W164-P350 HydrophobicContact CB-CB 3.87Å; W164-P350 HydrophobicContact CE3-CB 4.43Å | ||
| 351 | R | 39.1 | Very low | 38.2 | Very low | 128 Ų | 128 | 110.5 Ų | 110.5 | 48% | 0.483 | 66% | 0.656 | S | S | . | * | trans | -110.7 | -84.8 | -177.8 | -174.3 | 170.9 | 96.2 | -172 | 17 | 117.9 | G163 W164 A165 E166 | G163-R351 VanDerWaalsContact CA-N 3.35Å; W164-R351 HydrophobicContact CD2-CB 4.11Å; W164-R351 HydrophobicContact CE3-CB 3.35Å; W164-R351 HydrophobicContact CH2-CB 3.77Å; W164-R351 HydrophobicContact CH2-CG 4.46Å; W164-R351 HydrophobicContact CZ3-CB 3.16Å; W164-R351 HydrophobicContact CZ3-CG 4.24Å; A165-R351 PolarHBondContact O-NE 2.87Å; A165-R351 PolarHBondContact O-NH2 2.85Å; E166-R351 PolarHBondContact O-NH2 2.93Å; E166-R351 VanDerWaalsContact O-NH2 3.09Å; E166-R351 IonicContact OE1-CZ 3.6Å; E166-R351 IonicContact OE1-NH1 2.58Å; E166-R351 PolarHBondContact OE1-NH1 2.89Å; E166-R351 IonicContact OE1-NH2 3.57Å; E166-R351 PolarHBondContact OE1-NH2 3.3Å | ||
| 352 | G | 33.2 | Very low | 38.1 | Very low | 14 Ų | 14 | 109.2 Ų | 109.2 | 14% | 0.144 | 64% | 0.639 | C | S | . | * | trans | -73.5 | -173.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G163 W164 A165 | G163-G352 CarbonylContact C-O 3.59Å; G163-G352 WeakPolarHBondContact CA-O 3.41Å; W164-G352 VanDerWaalsContact C-C 3.45Å; W164-G352 CarbonylContact C-O 3.49Å; W164-G352 PolarHBondContact N-O 2.86Å; W164-G352 CarbonylContact O-C 2.98Å; W164-G352 VanDerWaalsContact O-CA 3.28Å; W164-G352 WeakPolarHBondContact O-CA 3.15Å; W164-G352 VanDerWaalsContact O-O 3.04Å; A165-G352 VanDerWaalsContact N-N 3.11Å | ||
| 353 | Q | 31.3 | Very low | 37.6 | Very low | 185 Ų | 185 | 107.6 Ų | 107.6 | 86% | 0.864 | 63% | 0.629 | S | S | * | * | cis | -77.3 | 115.3 | 12 | -65.1 | -173.5 | 4.2 | 0 | 0 | 113.2 | W164 G355 | W164-Q353 PolarHBondContact O-N 3.14Å; Q353-G355 PolarHBondContact O-N 3.29Å; Q353-G355 VanDerWaalsContact O-N 3.15Å | ||
| 354 | K | 38.3 | Very low | 37.2 | Very low | 184 Ų | 184 | 107.7 Ų | 107.7 | 80% | 0.8 | 62% | 0.622 | S | S | * | * | trans | -78.8 | 75.5 | 146.5 | 179.7 | -161.6 | 167.9 | -171.9 | 0 | 106.9 | K356 | K354-K356 VanDerWaalsContact C-N 3.32Å; K354-K356 PolarHBondContact O-N 2.85Å | ||
| 355 | G | 36.9 | Very low | 37.3 | Very low | 61 Ų | 61 | 104 Ų | 104 | 63% | 0.629 | 62% | 0.622 | S | S | * | * | trans | -85.8 | 59.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q353 | Q353-G355 PolarHBondContact O-N 3.29Å; Q353-G355 VanDerWaalsContact O-N 3.15Å | ||
| 356 | K | 45.6 | Very low | 37.8 | Very low | 162 Ų | 162 | 103.2 Ų | 103.2 | 70% | 0.704 | 63% | 0.625 | S | S | * | * | trans | -77 | 145.2 | 165.6 | -72.8 | -160.5 | 174.3 | -158.6 | 0 | 109.4 | K354 | K354-K356 VanDerWaalsContact C-N 3.32Å; K354-K356 PolarHBondContact O-N 2.85Å | ||
| 357 | P | 36.8 | Very low | 37.3 | Very low | 131 Ų | 131 | 108.4 Ų | 108.4 | 85% | 0.851 | 63% | 0.628 | S | S | * | * | -127 | 157 | 111.2 | 36.7 | -32.2 | 0 | 0 | 0 | 112.7 | |||||
| 358 | G | 37.7 | Very low | 37.5 | Very low | 67 Ų | 67 | 103.3 Ų | 103.3 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | trans | 70.1 | 158.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 359 | G | 38.5 | Very low | 37.3 | Very low | 69 Ų | 69 | 104.8 Ų | 104.8 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | cis | -140.9 | 113.3 | -14.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 360 | Y | 36 | Very low | 37.3 | Very low | 170 Ų | 170 | 106 Ų | 106 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | trans | -47.7 | 164.6 | 163.6 | -94 | -133.2 | 0 | 0 | 0 | 114.4 | N1132 | Y360-N1132 WeakPolarHBondContact CB-OD1 3.03Å; Y360-N1132 PolarHBondContact O-OD1 3.07Å | ||
| 361 | V | 41.4 | Very low | 37.6 | Very low | 55 Ų | 55 | 106 Ų | 106 | 33% | 0.333 | 64% | 0.636 | S | S | . | * | cis | 178.8 | 156.9 | -24.1 | 89.5 | 0 | 0 | 0 | 0 | 110.8 | N1132 K1133 | V361-N1132 HydrophobicContact CG1-CB 4.2Å; V361-N1132 PolarHBondContact N-OD1 2.89Å; V361-N1132 VanDerWaalsContact N-OD1 3.12Å; V361-N1132 WeakPolarHBondContact O-CA 3.46Å; V361-K1133 HydrophobicContact CG1-CB 3.7Å; V361-K1133 HydrophobicContact CG1-CD 3.98Å; V361-K1133 HydrophobicContact CG1-CG 4.43Å; V361-K1133 PolarHBondContact O-N 2.76Å | ||
| 362 | H | 39.3 | Very low | 38.2 | Very low | 101 Ų | 101 | 105.4 Ų | 105.4 | 47% | 0.468 | 64% | 0.641 | S | S | . | * | trans | 74.4 | 168.8 | 161.4 | -86.5 | -128.7 | 0 | 0 | 0 | 119.8 | K1133 | H362-K1133 HydrophobicContact CB-CB 4.44Å; H362-K1133 VanDerWaalsContact CE1-CE 3.43Å; H362-K1133 WeakPolarHBondContact CE1-CE 3.29Å; H362-K1133 WeakPolarHBondContact NE2-CD 3.46Å; H362-K1133 VanDerWaalsContact NE2-CE 3.33Å; H362-K1133 WeakPolarHBondContact NE2-CE 3.45Å; H362-K1133 PolarHBondContact NE2-NZ 3.01Å | ||
| 363 | C | 34.6 | Very low | 38.5 | Very low | 80 Ų | 80 | 108.3 Ų | 108.3 | 54% | 0.541 | 66% | 0.658 | S | S | . | * | cis | -124 | 157.3 | -6.7 | -98.4 | 0 | 0 | 0 | 0 | 109.2 | G1134 | C363-G1134 PolarHBondContact SG-O 3.11Š| ||
| 364 | A | 38.5 | Very low | 38.9 | Very low | 88 Ų | 88 | 102.8 Ų | 102.8 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | cis | 94.1 | 109.5 | 23.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 365 | G | 33.9 | Very low | 39.4 | Very low | 78 Ų | 78 | 104 Ų | 104 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | trans | 157.5 | 127.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 366 | P | 43.7 | Very low | 39.6 | Very low | 121 Ų | 121 | 106.9 Ų | 106.9 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | trans | -137.9 | 178.2 | -173.6 | 43.4 | -28.3 | 0 | 0 | 0 | 118.8 | ||||
| 367 | K | 37.3 | Very low | 39.1 | Very low | 180 Ų | 180 | 102.2 Ų | 102.2 | 78% | 0.783 | 66% | 0.661 | S | S | * | * | trans | 86.9 | 145.2 | 170.1 | -58.1 | 177.5 | 175.7 | 179.6 | 0 | 117.3 | ||||
| 368 | G | 39 | Very low | 39.1 | Very low | 64 Ų | 64 | 104.6 Ų | 104.6 | 66% | 0.66 | 67% | 0.666 | S | S | * | * | cis | 152.2 | 157 | -14.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 369 | I | 33.4 | Very low | 39.1 | Very low | 152 Ų | 152 | 108.6 Ų | 108.6 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | trans | 54.8 | 153.5 | 159.3 | 60.2 | 168.6 | 0 | 0 | 0 | 121.3 | ||||
| 370 | K | 37.7 | Very low | 39 | Very low | 82 Ų | 82 | 108.4 Ų | 108.4 | 36% | 0.357 | 66% | 0.662 | S | S | . | * | cis | -179.2 | 145.7 | -27.8 | -176 | -176.8 | -71 | 146.6 | 0 | 108 | P418 D794 | K370-P418 WeakPolarHBondContact CD-O 3.23Å; K370-P418 VanDerWaalsContact CE-O 3.31Å; K370-P418 WeakPolarHBondContact CE-O 3.42Å; K370-P418 PolarHBondContact NZ-O 3.07Å; K370-D794 IonicContact NZ-OD2 2.73Å; K370-D794 PolarHBondContact NZ-OD2 2.88Å | ||
| 371 | G | 37.3 | Very low | 38.9 | Very low | 55 Ų | 55 | 105.6 Ų | 105.6 | 57% | 0.567 | 66% | 0.658 | S | S | * | * | trans | 166.8 | 139.3 | 165 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 372 | L | 51.3 | Low | 38.8 | Very low | 114 Ų | 114 | 107.8 Ų | 107.8 | 60% | 0.597 | 68% | 0.676 | S | S | * | * | trans | -147.2 | 130.5 | -179.1 | -123.4 | 174.2 | 0 | 0 | 0 | 111.1 | L420 | L372-L420 HydrophobicContact CB-CD2 3.58Å; L372-L420 WeakPolarHBondContact O-CB 3.4Å; L372-L420 WeakPolarHBondContact O-CD2 3.29Å | ||
| 373 | P | 40.8 | Very low | 38.6 | Very low | 76 Ų | 76 | 104.6 Ų | 104.6 | 49% | 0.494 | 67% | 0.67 | S | S | . | * | trans | -143.6 | 170.5 | 145.7 | 42.1 | -30.8 | 0 | 0 | 0 | 112.5 | P421 G422 | P373-P421 WeakPolarHBondContact CD-O 3.48Å; P373-P421 VanDerWaalsContact CG-O 3.26Å; P373-P421 WeakPolarHBondContact CG-O 3.32Å; P373-G422 VanDerWaalsContact CB-CA 3.47Å | ||
| 374 | G | 38.6 | Very low | 38.6 | Very low | 68 Ų | 68 | 105.8 Ų | 105.8 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | cis | 166 | 114.6 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 375 | F | 48.5 | Very low | 38.8 | Very low | 211 Ų | 211 | 104.7 Ų | 104.7 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | trans | -52.3 | 146.3 | -170.3 | -50.6 | -87.9 | 0 | 0 | 0 | 115.4 | ||||
| 376 | P | 42.3 | Very low | 39 | Very low | 120 Ų | 120 | 103.1 Ų | 103.1 | 78% | 0.779 | 64% | 0.636 | S | S | * | * | -146.1 | 174.5 | 77.5 | 38.9 | -21.4 | 0 | 0 | 0 | 115.1 | |||||
| 377 | G | 35.1 | Very low | 38.6 | Very low | 65 Ų | 65 | 106.9 Ų | 106.9 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | cis | 159.7 | 137.5 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 378 | L | 36.2 | Very low | 38.6 | Very low | 180 Ų | 180 | 105.3 Ų | 105.3 | 94% | 0.942 | 63% | 0.63 | S | S | * | * | trans | 60.5 | 141.1 | 176.6 | -67 | 171.4 | 0 | 0 | 0 | 116.6 | ||||
| 379 | K | 36.9 | Very low | 38.5 | Very low | 152 Ų | 152 | 105 Ų | 105 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | cis | -159.7 | 145.5 | -0.8 | 172.1 | -169.5 | 175 | -164.6 | 0 | 108 | G1158 P1159 | K379-G1158 VanDerWaalsContact CE-O 3.24Å; K379-G1158 WeakPolarHBondContact CE-O 3.49Å; K379-G1158 PolarHBondContact NZ-O 3.05Å; K379-P1159 PolarHBondContact NZ-O 3.25Å | ||
| 380 | G | 36.3 | Very low | 38.5 | Very low | 64 Ų | 64 | 104.9 Ų | 104.9 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | trans | 113.1 | 99.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 381 | L | 35.5 | Very low | 38.7 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 59% | 0.586 | 65% | 0.653 | S | S | * | * | trans | 49.6 | 146.8 | 146.9 | -70.2 | 113.5 | 0 | 0 | 0 | 124.7 | G1155 P1157 | L381-G1155 WeakPolarHBondContact CD2-O 3.26Å; L381-G1155 WeakPolarHBondContact CG-O 3.5Å; L381-P1157 HydrophobicContact CD1-CB 3.84Å; L381-P1157 HydrophobicContact CD1-CG 3.9Å; L381-P1157 HydrophobicContact CD2-CG 4Å | ||
| 382 | S | 38.1 | Very low | 38.7 | Very low | 101 Ų | 101 | 107.5 Ų | 107.5 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | trans | 103.6 | 150.8 | 151.6 | -142.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 383 | G | 35.4 | Very low | 38.2 | Very low | 34 Ų | 34 | 108 Ų | 108 | 35% | 0.351 | 67% | 0.669 | S | S | . | * | trans | -129.7 | -139.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1153 | G383-L1153 VanDerWaalsContact N-CD2 3.28Š| ||
| 384 | E | 35.1 | Very low | 38.2 | Very low | 105 Ų | 105 | 112 Ų | 112 | 49% | 0.491 | 69% | 0.686 | S | S | . | * | cis | -156.4 | 147.9 | 11.6 | -167.3 | -163.5 | -141.2 | 0 | 0 | 112.7 | R1151 G1152 L1153 | E384-R1151 WeakPolarHBondContact O-CD 3.46Å; E384-R1151 PolarHBondContact O-NH1 3.19Å; E384-G1152 WeakPolarHBondContact CA-O 3.48Å; E384-L1153 HydrophobicContact CB-CB 4.33Å; E384-L1153 HydrophobicContact CB-CD1 3.98Å; E384-L1153 HydrophobicContact CB-CG 3.85Å; E384-L1153 HydrophobicContact CG-CB 3.96Å; E384-L1153 HydrophobicContact CG-CD1 3.87Å; E384-L1153 HydrophobicContact CG-CG 3.93Å | ||
| 385 | V | 42.1 | Very low | 38.3 | Very low | 64 Ų | 64 | 112.2 Ų | 112.2 | 39% | 0.388 | 69% | 0.688 | S | S | . | * | trans | 101.4 | 117.7 | 159.8 | -174.7 | 0 | 0 | 0 | 0 | 119.4 | R1151 G1152 | V385-R1151 WeakPolarHBondContact O-CB 3.24Å; V385-G1152 PolarHBondContact N-O 3.2Å | ||
| 386 | G | 38.9 | Very low | 37.6 | Very low | 46 Ų | 46 | 109.6 Ų | 109.6 | 47% | 0.474 | 68% | 0.684 | S | S | . | * | 78.5 | 163.5 | 123.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 387 | R | 35.5 | Very low | 37.2 | Very low | 200 Ų | 200 | 110.6 Ų | 110.6 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | cis | -157.2 | 169.6 | 10.4 | -73.7 | -169.8 | 162.3 | -127.1 | 2.1 | 108.7 | ||||
| 388 | E | 37.5 | Very low | 37.3 | Very low | 147 Ų | 147 | 110.4 Ų | 110.4 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | cis | -172.4 | 174.7 | -17.8 | -99.3 | 157.1 | -163.6 | 0 | 0 | 106.5 | ||||
| 389 | G | 35.5 | Very low | 37.1 | Very low | 57 Ų | 57 | 107.1 Ų | 107.1 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | cis | 166.9 | 162.3 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 390 | V | 34.8 | Very low | 37.1 | Very low | 149 Ų | 149 | 106.9 Ų | 106.9 | 90% | 0.903 | 67% | 0.668 | S | S | * | * | trans | 56.9 | 167 | 163.7 | -82.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 391 | P | 41.8 | Very low | 36.9 | Very low | 121 Ų | 121 | 107.4 Ų | 107.4 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | cis | -128.1 | 162.4 | -5 | 25.9 | -3.8 | 0 | 0 | 0 | 117.6 | ||||
| 392 | G | 36.8 | Very low | 36.6 | Very low | 71 Ų | 71 | 110.6 Ų | 110.6 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | trans | 87.8 | 143.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 393 | T | 40.6 | Very low | 36.5 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | cis | -152.8 | 156.9 | -9.1 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 394 | D | 40.3 | Very low | 36.6 | Very low | 159 Ų | 159 | 116.3 Ų | 116.3 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | trans | 11.7 | 145.8 | 147.5 | -38.6 | -32 | 0 | 0 | 0 | 121 | ||||
| 395 | G | 40.8 | Very low | 36.5 | Very low | 72 Ų | 72 | 117.4 Ų | 117.4 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | cis | 173.7 | 170.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 396 | D | 34.3 | Very low | 36.4 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | 41.3 | 109.6 | 160.5 | -78.1 | 5.9 | 0 | 0 | 0 | 124.6 | ||||
| 397 | K | 34.2 | Very low | 36.2 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 61% | 0.613 | 75% | 0.749 | S | S | * | * | 59.9 | 118.7 | 114.1 | -163.9 | -165.1 | -171.7 | -153.7 | 0 | 121.3 | Q90 | Q90-K397 PolarHBondContact O-NZ 3.21Š| |||
| 398 | G | 37.3 | Very low | 36.1 | Very low | 60 Ų | 60 | 123.3 Ų | 123.3 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | trans | 163 | 139.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 399 | D | 32 | Very low | 36.4 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | trans | -97.7 | 140 | -178.4 | -65.8 | -84 | 0 | 0 | 0 | 114 | K93 | K93-D399 WeakPolarHBondContact CE-OD2 3.22Å; K93-D399 IonicContact NZ-OD1 2.62Å; K93-D399 PolarHBondContact NZ-OD1 2.91Å; K93-D399 IonicContact NZ-OD2 3.66Å; K93-D399 PolarHBondContact NZ-OD2 3.06Å | ||
| 400 | T | 36 | Very low | 36.2 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | 72.2 | 113.6 | 155.5 | -37.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 401 | G | 33.6 | Very low | 36.2 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 177.7 | 102.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 402 | M | 29.2 | Very low | 35.8 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -64.4 | 133.2 | -163.7 | -61.6 | 170.1 | 64.4 | 0 | 0 | 118.4 | ||||
| 403 | K | 34.1 | Very low | 35.3 | Very low | 190 Ų | 190 | 131.7 Ų | 131.7 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | 70.3 | 124.5 | 129.5 | -173.3 | -153.3 | 172 | -159.3 | 0 | 121.8 | |||||
| 404 | G | 37.6 | Very low | 35.1 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | 114.9 | 145.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 405 | D | 33 | Very low | 34.7 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | cis | -147.8 | -155.8 | -3.4 | -111.7 | -14.9 | 0 | 0 | 0 | 111.6 | ||||
| 406 | R | 40.4 | Very low | 34.4 | Very low | 217 Ų | 217 | 130.2 Ų | 130.2 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | trans | -109.4 | 139.4 | -150.8 | 175.7 | -166.2 | -170 | -178.9 | 5.1 | 116.5 | ||||
| 407 | G | 36 | Very low | 34.3 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -150.8 | 94.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 408 | I | 32.6 | Very low | 34.5 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | 92.2 | 136.9 | 96.1 | -77.1 | 170.7 | 0 | 0 | 0 | 112.8 | |||||
| 409 | P | 43.7 | Very low | 34.3 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | -126.2 | 159.2 | -152.9 | 39 | -22.5 | 0 | 0 | 0 | 117.5 | ||||
| 410 | G | 31.2 | Very low | 35 | Very low | 70 Ų | 70 | 124.9 Ų | 124.9 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 171.1 | 150.6 | 162 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 411 | R | 35 | Very low | 35.2 | Very low | 204 Ų | 204 | 122.7 Ų | 122.7 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | cis | -156.1 | 147.2 | -3.3 | -67.6 | -171.7 | 172.6 | -166.2 | -2.2 | 111.8 | ||||
| 412 | R | 33.3 | Very low | 35.7 | Very low | 199 Ų | 199 | 121.5 Ų | 121.5 | 75% | 0.751 | 69% | 0.692 | S | S | * | * | trans | 68.4 | 118.4 | 152.9 | -70.2 | 179.4 | -72.4 | -151.4 | 5.1 | 117.9 | ||||
| 413 | C | 27.1 | Very low | 36.4 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | 82.3 | 138.9 | 90.4 | -63.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 414 | T | 35.8 | Very low | 36.4 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | cis | -147 | 146.6 | 17.4 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 415 | D | 30.9 | Very low | 36.4 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | trans | 30 | 127.7 | 137.8 | -42.9 | -33.7 | 0 | 0 | 0 | 124.6 | ||||
| 416 | G | 34.3 | Very low | 36.7 | Very low | 50 Ų | 50 | 120.9 Ų | 120.9 | 52% | 0.515 | 70% | 0.697 | S | S | . | * | 102.6 | 110.5 | 127.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 417 | Q | 32.5 | Very low | 36.5 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | -150.6 | 134.3 | 160.2 | -78.2 | -154.6 | 12.2 | 0 | 0 | 115.2 | ||||
| 418 | P | 39 | Very low | 36.6 | Very low | 34 Ų | 34 | 119.6 Ų | 119.6 | 22% | 0.221 | 70% | 0.702 | C | S | . | * | -153.4 | 168.6 | 126.4 | 39.5 | -22.7 | 0 | 0 | 0 | 113.2 | K370 D794 F796 | K370-P418 WeakPolarHBondContact CD-O 3.23Å; K370-P418 VanDerWaalsContact CE-O 3.31Å; K370-P418 WeakPolarHBondContact CE-O 3.42Å; K370-P418 PolarHBondContact NZ-O 3.07Å; P418-D794 VanDerWaalsContact CD-CG 3.43Å; P418-D794 WeakPolarHBondContact CD-OD1 3.26Å; P418-D794 VanDerWaalsContact CD-OD2 3.28Å; P418-D794 WeakPolarHBondContact CD-OD2 3.07Å; P418-F796 HydrophobicContact CB-CD1 3.71Å; P418-F796 HydrophobicContact CB-CE1 3.57Å; P418-F796 HydrophobicContact CB-CE2 4.4Å; P418-F796 HydrophobicContact CB-CG 4.19Å; P418-F796 HydrophobicContact CB-CZ 3.94Å; P418-F796 HydrophobicContact CG-CD1 3.7Å; P418-F796 HydrophobicContact CG-CD2 3.61Å; P418-F796 HydrophobicContact CG-CE1 3.61Å; P418-F796 HydrophobicContact CG-CE2 3.51Å; P418-F796 HydrophobicContact CG-CG 3.69Å; P418-F796 HydrophobicContact CG-CZ 3.51Å | |||
| 419 | G | 34.2 | Very low | 36.8 | Very low | 41 Ų | 41 | 117.4 Ų | 117.4 | 42% | 0.423 | 70% | 0.7 | S | S | . | * | cis | -155.6 | -106.4 | -3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 420 | L | 46.3 | Very low | 37.1 | Very low | 132 Ų | 132 | 116 Ų | 116 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | trans | -126.1 | 159.1 | -167.6 | -47.7 | 177.8 | 0 | 0 | 0 | 112.4 | L372 | L372-L420 HydrophobicContact CB-CD2 3.58Å; L372-L420 WeakPolarHBondContact O-CB 3.4Å; L372-L420 WeakPolarHBondContact O-CD2 3.29Å | ||
| 421 | P | 39.2 | Very low | 37.5 | Very low | 100 Ų | 100 | 114.9 Ų | 114.9 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | -146.5 | 173.9 | 106.5 | 34.5 | -15.8 | 0 | 0 | 0 | 117 | P373 | P373-P421 WeakPolarHBondContact CD-O 3.48Å; P373-P421 VanDerWaalsContact CG-O 3.26Å; P373-P421 WeakPolarHBondContact CG-O 3.32Å | |||
| 422 | G | 44.8 | Very low | 37.6 | Very low | 51 Ų | 51 | 111.9 Ų | 111.9 | 53% | 0.526 | 68% | 0.677 | S | S | . | * | trans | -80.8 | -154.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | P373 | P373-G422 VanDerWaalsContact CB-CA 3.47Š| ||
| 423 | P | 43.7 | Very low | 38.1 | Very low | 121 Ų | 121 | 113.2 Ų | 113.2 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | cis | -150.6 | -167.2 | -13.3 | 42.7 | -21.9 | 0 | 0 | 0 | 117.7 | ||||
| 424 | K | 34.4 | Very low | 39.1 | Very low | 212 Ų | 212 | 109.8 Ų | 109.8 | 92% | 0.922 | 67% | 0.666 | S | S | * | * | trans | 74.9 | 162.7 | 167.1 | -85.3 | -172.1 | 174.2 | -175.5 | 0 | 119.1 | ||||
| 425 | G | 36.6 | Very low | 39.2 | Very low | 62 Ų | 62 | 110 Ų | 110 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | cis | 179.3 | 178 | -1.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 426 | N | 39.3 | Very low | 40.4 | Very low | 153 Ų | 153 | 108.5 Ų | 108.5 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -119.7 | 173.8 | -168.6 | -55.9 | 8.2 | 0 | 0 | 0 | 113.1 | ||||
| 427 | M | 37.1 | Very low | 41 | Very low | 192 Ų | 192 | 109.6 Ų | 109.6 | 95% | 0.946 | 68% | 0.68 | S | S | * | * | -178.9 | 157.1 | 50.5 | 178.4 | -170.1 | -66.2 | 0 | 0 | 112.8 | |||||
| 428 | G | 38.7 | Very low | 41 | Very low | 66 Ų | 66 | 109.4 Ų | 109.4 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | trans | 151.5 | 150.7 | 161 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 429 | S | 36.7 | Very low | 41.1 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | trans | -168 | 175 | -173.2 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 430 | P | 49.8 | Very low | 41.2 | Very low | 99 Ų | 99 | 114 Ų | 114 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | -133.9 | 158.5 | -39.7 | 38.5 | -22.1 | 0 | 0 | 0 | 117.4 | D1165 | P430-D1165 VanDerWaalsContact CA-CB 3.48Å; P430-D1165 VanDerWaalsContact CA-CG 3.42Å; P430-D1165 HydrophobicContact CB-CB 3.59Å | ||
| 431 | G | 39.7 | Very low | 41.1 | Very low | 46 Ų | 46 | 116.1 Ų | 116.1 | 47% | 0.474 | 74% | 0.744 | S | S | . | * | trans | 134.6 | 148.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117 | D1165 | G431-D1165 PolarHBondContact N-OD1 2.91Å; G431-D1165 PolarHBondContact N-OD2 3.36Å | ||
| 432 | I | 37.2 | Very low | 41.5 | Very low | 142 Ų | 142 | 117.3 Ų | 117.3 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | cis | -155.7 | 160.9 | -5 | -47.5 | 179.4 | 0 | 0 | 0 | 110.3 | ||||
| 433 | R | 43.1 | Very low | 41.5 | Very low | 226 Ų | 226 | 118.7 Ų | 118.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -64.7 | 163.1 | 170.3 | 167.7 | -173.7 | 168.8 | -162.7 | -3.9 | 114.5 | ||||
| 434 | G | 48.3 | Very low | 41.2 | Very low | 46 Ų | 46 | 119 Ų | 119 | 47% | 0.474 | 77% | 0.772 | S | S | . | * | cis | 131.2 | 109.6 | -7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 435 | P | 38 | Very low | 41.9 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -106.6 | 168 | 178.7 | 39.8 | -33.2 | 0 | 0 | 0 | 116 | ||||
| 436 | P | 55.2 | Low | 42 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -123.5 | 175.6 | -166.8 | 42.9 | -29.9 | 0 | 0 | 0 | 117.2 | ||||
| 437 | G | 46.4 | Very low | 41.6 | Very low | 72 Ų | 72 | 116.4 Ų | 116.4 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 102.3 | 153.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 438 | T | 33 | Very low | 41.4 | Very low | 148 Ų | 148 | 119.3 Ų | 119.3 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | cis | -150.2 | 174.5 | 3.8 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 439 | A | 41.5 | Very low | 41.3 | Very low | 100 Ų | 100 | 119.5 Ų | 119.5 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -51.1 | 177.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 440 | G | 37.2 | Very low | 41.6 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | -174.7 | -146.1 | 14.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 441 | L | 43.6 | Very low | 40.8 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -91.1 | -165.2 | -171.1 | -48.4 | 147.2 | 0 | 0 | 0 | 110.8 | ||||
| 442 | P | 47.3 | Very low | 40.5 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -135.4 | -175.5 | -14.7 | 39.3 | -20.8 | 0 | 0 | 0 | 115 | ||||
| 443 | G | 44.7 | Very low | 40.3 | Very low | 80 Ų | 80 | 128 Ų | 128 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 102.5 | 152 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 444 | S | 38.1 | Very low | 39.9 | Very low | 127 Ų | 127 | 123 Ų | 123 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | cis | -136.8 | 179.5 | 16.9 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 445 | T | 48.2 | Very low | 39.3 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -106.8 | 145 | -176.9 | -48.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 446 | G | 39.5 | Very low | 39.4 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | 169.4 | 102.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 447 | L | 30.8 | Very low | 38.9 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | 82 | 120.8 | 70.6 | -80.2 | 175.4 | 0 | 0 | 0 | 115.1 | |||||
| 448 | R | 32.1 | Very low | 38.6 | Very low | 254 Ų | 254 | 127.5 Ų | 127.5 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | 76.3 | 134.2 | 148.4 | -145.8 | 172.2 | -169.8 | 169 | 1.5 | 117 | ||||
| 449 | G | 37.9 | Very low | 38.5 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | -176.7 | -177.2 | -4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 450 | Q | 41.7 | Very low | 38.4 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -64.3 | 164.9 | 167.2 | -62.1 | 165 | -37.7 | 0 | 0 | 110.7 | ||||
| 451 | P | 34.4 | Very low | 38.2 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | cis | -109.7 | -177 | 42.9 | 0.5 | 24.6 | 0 | 0 | 0 | 113.6 | ||||
| 452 | G | 31.6 | Very low | 38.2 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | cis | 130.3 | 162.9 | 18.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 453 | E | 34.8 | Very low | 37.7 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | cis | -151.5 | 171.4 | -6.7 | -106.2 | -172.9 | 126.3 | 0 | 0 | 110.9 | ||||
| 454 | V | 33.8 | Very low | 37.4 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -38.6 | 175.6 | 164.2 | -115.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 455 | I | 35.1 | Very low | 37.5 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | cis | -153 | 162.2 | 39.3 | 1.5 | 175.6 | 0 | 0 | 0 | 107.8 | ||||
| 456 | D | 40.5 | Very low | 37.1 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | cis | -158.5 | 166.4 | 43.8 | -106.3 | -46.3 | 0 | 0 | 0 | 108.8 | ||||
| 457 | S | 44.8 | Very low | 37 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | S | Bend | cis | -160.9 | 157.1 | -19.3 | -122.3 | 0 | 0 | 0 | 0 | 105.9 | ||
| 458 | A | 39.7 | Very low | 37.2 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | cis | -139.3 | 178.7 | 26.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 459 | L | 32.1 | Very low | 37.7 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -108.3 | -168.4 | -167.3 | -59.6 | 138.6 | 0 | 0 | 0 | 111 | ||||
| 460 | P | 38.4 | Very low | 37.6 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | cis | -129.8 | -175.3 | -12.3 | 21.3 | 4.6 | 0 | 0 | 0 | 114.6 | ||||
| 461 | G | 34.1 | Very low | 37.5 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -90.6 | -143.3 | 169 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 462 | P | 43.6 | Very low | 37.5 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | cis | -143.3 | -166.2 | 4.3 | 43 | -23 | 0 | 0 | 0 | 116.2 | ||||
| 463 | S | 37 | Very low | 38 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 90.1 | 142.8 | 149.4 | -149.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 464 | G | 36.9 | Very low | 38.2 | Very low | 68 Ų | 68 | 120.6 Ų | 120.6 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 97.8 | 100.6 | 135.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 465 | N | 41.2 | Very low | 38.3 | Very low | 163 Ų | 163 | 124 Ų | 124 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -64 | 151.7 | 147.5 | -69.2 | -35.5 | 0 | 0 | 0 | 109 | ||||
| 466 | P | 39.8 | Very low | 38.7 | Very low | 135 Ų | 135 | 120.7 Ų | 120.7 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | cis | -147.3 | -179.3 | 42.6 | 42.5 | -23.3 | 0 | 0 | 0 | 117 | ||||
| 467 | G | 36.3 | Very low | 38.4 | Very low | 80 Ų | 80 | 121.3 Ų | 121.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 132.9 | 119.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 468 | A | 35.1 | Very low | 38.3 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -89.9 | 166.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 469 | P | 43.9 | Very low | 38 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | cis | -139.5 | 167.3 | 16.6 | 41.4 | -23.6 | 0 | 0 | 0 | 117.9 | ||||
| 470 | G | 36 | Very low | 38.3 | Very low | 83 Ų | 83 | 122 Ų | 122 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 92.6 | 83.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 471 | S | 37.8 | Very low | 38.2 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -128.4 | 143.8 | 168.5 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 472 | F | 36 | Very low | 38.6 | Very low | 221 Ų | 221 | 122 Ų | 122 | 97% | 0.969 | 82% | 0.822 | S | S | * | * | trans | -92.3 | 149.8 | 174.5 | -82.1 | -98.8 | 0 | 0 | 0 | 111.1 | ||||
| 473 | G | 40.3 | Very low | 38.2 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 116.5 | 95.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 474 | L | 39.1 | Very low | 38.5 | Very low | 183 Ų | 183 | 124 Ų | 124 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -120.7 | 141.3 | 149.6 | -82.1 | 174.4 | 0 | 0 | 0 | 109.8 | ||||
| 475 | K | 37.3 | Very low | 38.8 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -122.3 | 114.8 | 175.7 | 178.9 | -176.2 | -179.9 | -174 | 0 | 103.7 | ||||
| 476 | G | 42.9 | Very low | 38.6 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | 105.4 | 157.7 | 71.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 477 | L | 34.6 | Very low | 38.3 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | cis | -161.3 | -156.3 | 13.7 | -84.9 | 162 | 0 | 0 | 0 | 106.2 | ||||
| 478 | P | 43.1 | Very low | 38.4 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | -111.9 | -171.7 | -66.1 | 35.6 | -20.1 | 0 | 0 | 0 | 110.8 | |||||
| 479 | G | 33.1 | Very low | 38.5 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | -128.7 | -152.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 480 | D | 37.2 | Very low | 38.3 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | cis | -124.8 | 172 | 9.3 | -78.2 | -37.2 | 0 | 0 | 0 | 113.3 | G482 | D480-G482 PolarHBondContact O-N 2.64Š| ||
| 481 | S | 37.9 | Very low | 38.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -71.3 | 93.8 | -168.1 | -55.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 482 | G | 41.7 | Very low | 38.3 | Very low | 64 Ų | 64 | 130.7 Ų | 130.7 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | -71 | 146.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D480 | D480-G482 PolarHBondContact O-N 2.64Š| ||
| 483 | D | 34.3 | Very low | 38.4 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -59.6 | 135.4 | 176.2 | -80.4 | -53.6 | 0 | 0 | 0 | 111 | G485 | D483-G485 PolarHBondContact O-N 3.36Š| ||
| 484 | P | 44.4 | Very low | 38.1 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -62.1 | 111 | -171 | -27.1 | 36 | 0 | 0 | 0 | 114.7 | ||||
| 485 | G | 43.5 | Very low | 37.9 | Very low | 66 Ų | 66 | 130.1 Ų | 130.1 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | -81 | 141.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D483 | D483-G485 PolarHBondContact O-N 3.36Š| ||
| 486 | E | 37.1 | Very low | 38 | Very low | 187 Ų | 187 | 124 Ų | 124 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 67.3 | 153.9 | 170.8 | -43.5 | -157.4 | 141 | 0 | 0 | 115.5 | ||||
| 487 | K | 32.9 | Very low | 38.2 | Very low | 193 Ų | 193 | 127.1 Ų | 127.1 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | -127.8 | 133.3 | 54.3 | -79 | -168.5 | 173.6 | -172.2 | 0 | 116.2 | |||||
| 488 | G | 37.6 | Very low | 38.3 | Very low | 56 Ų | 56 | 124.7 Ų | 124.7 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | trans | -74.7 | 163 | 142.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P490 | G488-P490 WeakPolarHBondContact O-CD 3.39Š| ||
| 489 | F | 38.6 | Very low | 38.5 | Very low | 215 Ų | 215 | 122 Ų | 122 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 139.1 | -175.1 | -74.5 | -99.7 | 0 | 0 | 0 | 113.4 | ||||
| 490 | P | 39.1 | Very low | 38.7 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | -132.1 | 153.9 | 129 | 37.2 | -29.1 | 0 | 0 | 0 | 112.2 | G488 | G488-P490 WeakPolarHBondContact O-CD 3.39Š| |||
| 491 | G | 39.9 | Very low | 39 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | 143.8 | 137 | -4.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 492 | A | 34.9 | Very low | 39.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 96% | 0.959 | 79% | 0.787 | S | S | * | * | trans | 66.8 | 149.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 493 | G | 36.6 | Very low | 39.8 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | cis | -145.2 | 175.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 494 | E | 33.8 | Very low | 40.8 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | S | Bend | cis | -126.7 | 171.6 | 3 | -48.9 | -178.7 | 174.9 | 0 | 0 | 109 | ||
| 495 | R | 35.4 | Very low | 41 | Very low | 219 Ų | 219 | 124.2 Ų | 124.2 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | cis | -148.5 | 147.8 | 11.6 | 174.9 | -178.1 | -66.4 | -169.2 | -2.3 | 109.5 | ||||
| 496 | G | 39.9 | Very low | 40.8 | Very low | 62 Ų | 62 | 128 Ų | 128 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | trans | -132.9 | -172.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 497 | P | 45.9 | Very low | 41.9 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | cis | -127 | -176.8 | -3.1 | 41.4 | -27.2 | 0 | 0 | 0 | 113.4 | ||||
| 498 | A | 38 | Very low | 42.7 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -141.5 | 151.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 499 | G | 47.5 | Very low | 42.7 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -67.9 | 167.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 500 | P | 37.6 | Very low | 43.2 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -75.9 | 133.1 | -165.8 | 30.1 | -35.7 | 0 | 0 | 0 | 113.6 | ||||
| 501 | R | 42.7 | Very low | 43.5 | Very low | 249 Ų | 249 | 120.9 Ų | 120.9 | 94% | 0.94 | 79% | 0.792 | S | S | * | * | trans | -105.7 | 113.6 | 153.1 | -168.2 | 173 | -173.9 | 173.1 | 1.9 | 107.2 | ||||
| 502 | G | 50 | Low | 44 | Very low | 54 Ų | 54 | 125.2 Ų | 125.2 | 56% | 0.557 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 157.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 503 | P | 46.7 | Very low | 44.6 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.4 | 170.8 | 25.8 | -33.6 | 0 | 0 | 0 | 109.3 | G505 | P503-G505 PolarHBondContact O-N 2.89Š|
| 504 | P | 55.2 | Low | 44.9 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 136.1 | 179.9 | -25.6 | 34.7 | 0 | 0 | 0 | 111.9 | ||
| 505 | G | 48.3 | Very low | 45 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 160.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P503 | P503-G505 PolarHBondContact O-N 2.89Š|
| 506 | D | 40.4 | Very low | 45 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 129 | 172.8 | -64.4 | -36.5 | 0 | 0 | 0 | 110.3 | G508 | D506-G508 PolarHBondContact O-N 2.74Š|
| 507 | P | 59.3 | Low | 44.8 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -56.6 | 112.3 | -175.6 | -29.5 | 36.5 | 0 | 0 | 0 | 113.4 | ||||
| 508 | G | 49.8 | Very low | 44.6 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -68.3 | 141.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D506 I510 | D506-G508 PolarHBondContact O-N 2.74Å; G508-I510 PolarHBondContact O-N 3.35Å | ||
| 509 | L | 36.9 | Very low | 45 | Very low | 185 Ų | 185 | 130 Ų | 130 | 97% | 0.969 | 78% | 0.783 | S | S | * | * | trans | -65 | 119.3 | 176.1 | -68.4 | 167.2 | 0 | 0 | 0 | 110.5 | ||||
| 510 | I | 48.8 | Very low | 44.5 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -110.7 | 135.3 | 171 | -69 | 179.2 | 0 | 0 | 0 | 108.9 | G508 | G508-I510 PolarHBondContact O-N 3.35Š| ||
| 511 | G | 45.6 | Very low | 44.5 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 160.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 512 | R | 51.7 | Low | 44.3 | Very low | 162 Ų | 162 | 131 Ų | 131 | 61% | 0.611 | 78% | 0.781 | S | S | * | * | trans | -71.2 | 141 | -174.6 | -64.6 | 173.1 | 172 | 169.2 | -3.6 | 113.8 | E1233 D1236 | R512-E1233 WeakPolarHBondContact CD-OE1 3.39Å; R512-E1233 IonicContact CZ-OE1 2.9Å; R512-E1233 IonicContact NE-OE1 3.54Å; R512-E1233 IonicContact NH1-OE1 3.33Å; R512-E1233 PolarHBondContact NH1-OE1 3.36Å; R512-E1233 IonicContact NH1-OE2 2.82Å; R512-E1233 PolarHBondContact NH1-OE2 3.16Å; R512-D1236 IonicContact NH2-OD2 3.7Å; R512-D1236 PolarHBondContact NH2-OD2 3.05Å | ||
| 513 | P | 46.8 | Very low | 44.1 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -131 | 134.1 | 155.2 | 33.5 | -18.1 | 0 | 0 | 0 | 114.6 | ||||
| 514 | G | 43.6 | Very low | 44.1 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 83.7 | 146.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 515 | K | 36.3 | Very low | 43.1 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | trans | -121.5 | 167.5 | 166.4 | -73.7 | -178 | 179 | 172.2 | 0 | 109.8 | ||||
| 516 | E | 34.5 | Very low | 42.6 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | 70.3 | 147.4 | 160.6 | -69.2 | 152 | -130.6 | 0 | 0 | 118.3 | ||||
| 517 | G | 35.3 | Very low | 42.4 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 163.3 | 115.8 | -17.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 518 | R | 41.1 | Very low | 41.2 | Very low | 250 Ų | 250 | 133 Ų | 133 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | 62.6 | 178.7 | 158.9 | -84.9 | -178 | 177.9 | -172.5 | 0.2 | 117 | ||||
| 519 | P | 48.3 | Very low | 40.6 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | cis | -132.7 | 171.5 | -21.3 | 28.2 | -7.5 | 0 | 0 | 0 | 116.7 | ||||
| 520 | G | 36.2 | Very low | 40.4 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 108.6 | 158 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 521 | I | 37.8 | Very low | 40 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | cis | -155.1 | 137.7 | -10.1 | -48.9 | 178.9 | 0 | 0 | 0 | 110.3 | ||||
| 522 | R | 38.5 | Very low | 40 | Very low | 244 Ų | 244 | 136.3 Ų | 136.3 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | 58.7 | 160.9 | 163.3 | -86.1 | 173.6 | 165.9 | 162.8 | -6.2 | 118.5 | ||||
| 523 | G | 45.6 | Very low | 39.4 | Very low | 62 Ų | 62 | 135.6 Ų | 135.6 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | cis | 113.2 | 114.7 | -3.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 524 | P | 46.4 | Very low | 39.2 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | -136.3 | 166.4 | 82.6 | 36.3 | -21.4 | 0 | 0 | 0 | 113.4 | |||||
| 525 | K | 34.5 | Very low | 39 | Very low | 205 Ų | 205 | 138.5 Ų | 138.5 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | cis | 93.3 | 112.1 | 25.3 | -154.4 | -173.8 | -170.8 | -171.8 | 0 | 114.5 | ||||
| 526 | G | 37.9 | Very low | 39.1 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 162.9 | 136.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 527 | V | 35.3 | Very low | 39.1 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | -161.2 | 156.7 | -57.6 | 137.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 528 | S | 33.7 | Very low | 39.2 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -54.6 | 156.5 | -175.4 | 55.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 529 | V | 37.8 | Very low | 39.2 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | -145.1 | 110.1 | 125.4 | -153.9 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 530 | A | 33.5 | Very low | 38.9 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | 72.2 | 91.9 | 54.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 531 | K | 39 | Very low | 38.8 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -157.7 | 115.1 | 149.7 | -117.4 | 171.8 | -174.7 | 178.8 | 0 | 111.2 | ||||
| 532 | C | 45.6 | Very low | 38.8 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -111.7 | 154 | 165.1 | -173.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 533 | L | 40.8 | Very low | 39 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -148.8 | 106.5 | 176.5 | -135.6 | 73.5 | 0 | 0 | 0 | 109.7 | ||||
| 534 | F | 42.8 | Very low | 38.6 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 24 | 134.6 | 140.6 | -61.5 | -71.9 | 0 | 0 | 0 | 119.8 | ||||
| 535 | C | 38.7 | Very low | 38.2 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | cis | -132.4 | 158.2 | 3.8 | -68.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 536 | E | 37.1 | Very low | 38.6 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | 84.8 | 157.8 | 34.3 | -63.4 | -167.3 | 115.3 | 0 | 0 | 115.8 | ||||
| 537 | D | 35.5 | Very low | 38.6 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | 67.8 | 137 | -173.1 | -60.4 | -32 | 0 | 0 | 0 | 119.1 | ||||
| 538 | G | 38.1 | Very low | 38.6 | Very low | 60 Ų | 60 | 134.9 Ų | 134.9 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | 163.2 | 112 | -11.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 539 | Q | 39.7 | Very low | 38.8 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -178.9 | 129.1 | 150.9 | -98.9 | 151.7 | 58.9 | 0 | 0 | 107.7 | ||||
| 540 | M | 41.9 | Very low | 38.7 | Very low | 182 Ų | 182 | 133 Ų | 133 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | 76.1 | 125.3 | 51.7 | -165.9 | -162 | -54.4 | 0 | 0 | 112.5 | |||||
| 541 | G | 35.4 | Very low | 39.3 | Very low | 59 Ų | 59 | 137.2 Ų | 137.2 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | cis | 170.1 | 98.6 | -10.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 542 | R | 38.3 | Very low | 39.3 | Very low | 250 Ų | 250 | 133.1 Ų | 133.1 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | trans | 57 | -146.8 | 163.6 | -60 | -176.5 | 170.7 | -171.3 | -3.1 | 114.7 | ||||
| 543 | P | 42.4 | Very low | 38.8 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -108.3 | 175.7 | -79.3 | 23.2 | -6.8 | 0 | 0 | 0 | 112.5 | |||||
| 544 | G | 36.3 | Very low | 39.2 | Very low | 57 Ų | 57 | 132.8 Ų | 132.8 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | cis | 122.8 | 116.9 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V546 | G544-V546 WeakPolarHBondContact O-CG2 3.39Š| ||
| 545 | D | 37.3 | Very low | 39 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -100.6 | 122.8 | 166.2 | -54.5 | -43 | 0 | 0 | 0 | 106.9 | ||||
| 546 | V | 44.3 | Very low | 38.8 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | cis | 60 | 119.6 | 31.5 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | G544 | G544-V546 WeakPolarHBondContact O-CG2 3.39Š| ||
| 547 | G | 37.6 | Very low | 39.3 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | cis | -179.6 | -170.3 | 6.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 548 | E | 34.2 | Very low | 39.6 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | -159.1 | 154 | -6.6 | -114.7 | -168.8 | -179.7 | 0 | 0 | 108.7 | ||||
| 549 | T | 38.3 | Very low | 39.7 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | 42.7 | 133.7 | 129.4 | -46.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 550 | G | 36.5 | Very low | 39.8 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 120.6 | 111.5 | 138.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 551 | D | 45.4 | Very low | 39.7 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -73.7 | 146.1 | 164.3 | -71 | -63.8 | 0 | 0 | 0 | 111.5 | ||||
| 552 | S | 38.8 | Very low | 40 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -158.5 | 125.2 | 171.3 | -80.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 553 | G | 34.9 | Very low | 40.4 | Very low | 78 Ų | 78 | 123.6 Ų | 123.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 49.6 | 110.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 554 | L | 50.4 | Low | 40.7 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -76.5 | 141.4 | 159.9 | -76.6 | 168.8 | 0 | 0 | 0 | 112.3 | ||||
| 555 | P | 38 | Very low | 41.1 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -138.4 | 139.9 | 146.7 | 35.1 | -20.1 | 0 | 0 | 0 | 115.1 | ||||
| 556 | G | 34.5 | Very low | 41 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 83.3 | 99 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 557 | R | 47.3 | Very low | 41.1 | Very low | 246 Ų | 246 | 131.1 Ų | 131.1 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | trans | -79.1 | 160.6 | 134 | -75.8 | -177 | 176.1 | -169 | -1.4 | 107.7 | ||||
| 558 | P | 43 | Very low | 41.6 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | cis | -148.5 | -176.2 | 35.3 | 43 | -22.3 | 0 | 0 | 0 | 117.9 | ||||
| 559 | G | 39.6 | Very low | 41.9 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | trans | 173 | 131.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 560 | V | 42 | Very low | 42.3 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 77% | 0.77 | 83% | 0.831 | S | S | * | * | trans | -146.1 | 162.2 | -167.1 | -162.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 561 | N | 38.3 | Very low | 43 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | 91.1 | 142.8 | 177.3 | -49.9 | -25.9 | 0 | 0 | 0 | 114.3 | ||||
| 562 | G | 42.6 | Very low | 43 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | cis | -142 | -175.3 | 2.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 563 | P | 46.6 | Very low | 43.6 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -105.2 | 157.2 | -158.1 | 39.3 | -35.7 | 0 | 0 | 0 | 116.4 | ||||
| 564 | D | 48.3 | Very low | 44.5 | Very low | 175 Ų | 175 | 131 Ų | 131 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | trans | 178 | 141.1 | 146.9 | -92.7 | -24.1 | 0 | 0 | 0 | 106.5 | ||||
| 565 | G | 45.8 | Very low | 44.2 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | cis | -163.4 | 160.6 | -11.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L567 | G565-L567 PolarHBondContact O-N 3.32Š| ||
| 566 | E | 33.8 | Very low | 44.8 | Very low | 209 Ų | 209 | 134 Ų | 134 | 98% | 0.977 | 82% | 0.817 | S | S | * | * | trans | -65.5 | 130.9 | -170.7 | -63.9 | -176.5 | 144.6 | 0 | 0 | 113.6 | ||||
| 567 | L | 47.6 | Very low | 45.6 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -135.5 | 132 | 166.1 | -166.5 | 67.5 | 0 | 0 | 0 | 109.4 | G565 | G565-L567 PolarHBondContact O-N 3.32Š| ||
| 568 | G | 47.3 | Very low | 45.5 | Very low | 61 Ų | 61 | 129.6 Ų | 129.6 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | -73.9 | 179.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | I570 | G568-I570 PolarHBondContact O-N 3.07Š| ||
| 569 | D | 41.1 | Very low | 46 | Very low | 170 Ų | 170 | 129.2 Ų | 129.2 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -46.9 | 115.8 | -167.8 | -60.1 | -61.2 | 0 | 0 | 0 | 114.6 | G571 | D569-G571 PolarHBondContact O-N 3.06Š| ||
| 570 | I | 47.5 | Very low | 46.7 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -73 | 99.4 | 171.2 | -60.9 | 176.7 | 0 | 0 | 0 | 108 | G568 | G568-I570 PolarHBondContact O-N 3.07Š| ||
| 571 | G | 49.8 | Very low | 47.2 | Very low | 59 Ų | 59 | 128.2 Ų | 128.2 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | trans | -58.9 | 158.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D569 | D569-G571 PolarHBondContact O-N 3.06Š| ||
| 572 | D | 44.8 | Very low | 47.7 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -40 | 123.7 | -171.3 | -73.4 | -50.8 | 0 | 0 | 0 | 113.7 | G574 | D572-G574 PolarHBondContact O-N 2.82Š| ||
| 573 | P | 53.2 | Low | 48.1 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -52.2 | 111.5 | 175.3 | -29.3 | 36.2 | 0 | 0 | 0 | 111.2 | R575 | P573-R575 PolarHBondContact O-N 2.69Š| ||
| 574 | G | 52 | Low | 47.8 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -52.5 | 132.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D572 | D572-G574 PolarHBondContact O-N 2.82Š| ||
| 575 | R | 46.1 | Very low | 47.3 | Very low | 240 Ų | 240 | 133.4 Ų | 133.4 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -45.1 | 127.8 | -179.1 | -73.3 | -174.4 | 174.3 | -153 | -2 | 109.9 | P573 G577 | P573-R575 PolarHBondContact O-N 2.69Å; R575-G577 PolarHBondContact O-N 3.33Å; R575-G577 VanDerWaalsContact O-N 3.07Å | ||
| 576 | P | 49.7 | Very low | 47.4 | Very low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 120.8 | 180 | -30.7 | 35.7 | 0 | 0 | 0 | 110.8 | L578 | P576-L578 PolarHBondContact O-N 3.12Š|
| 577 | G | 52 | Low | 47.4 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 131.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110 | R575 | R575-G577 PolarHBondContact O-N 3.33Å; R575-G577 VanDerWaalsContact O-N 3.07Å |
| 578 | L | 45.3 | Very low | 46.8 | Very low | 167 Ų | 167 | 126 Ų | 126 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 127.4 | 172.9 | -73.6 | 170.6 | 0 | 0 | 0 | 108.3 | P576 G580 | P576-L578 PolarHBondContact O-N 3.12Å; L578-G580 PolarHBondContact O-N 2.92Å |
| 579 | P | 52.8 | Low | 46.3 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 120.9 | -179.4 | -29.7 | 35.7 | 0 | 0 | 0 | 110.3 | ||
| 580 | G | 54.7 | Low | 46 | Very low | 60 Ų | 60 | 125.2 Ų | 125.2 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L578 | L578-G580 PolarHBondContact O-N 2.92Š|
| 581 | P | 51.6 | Low | 45.4 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.4 | -179.2 | 23.2 | -33.1 | 0 | 0 | 0 | 108.9 | G583 | P581-G583 PolarHBondContact O-N 3.29Å; P581-G583 VanDerWaalsContact O-N 3.14Å |
| 582 | P | 49.4 | Very low | 44.8 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 123.2 | -172.2 | -31.9 | 35.9 | 0 | 0 | 0 | 112.1 | R584 | P582-R584 PolarHBondContact O-N 2.92Å; P582-R584 VanDerWaalsContact O-N 3.08Å |
| 583 | G | 50.6 | Low | 44.3 | Very low | 74 Ų | 74 | 121.4 Ų | 121.4 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 116.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P581 K585 | P581-G583 PolarHBondContact O-N 3.29Å; P581-G583 VanDerWaalsContact O-N 3.14Å; G583-K585 PolarHBondContact O-N 3.36Å; G583-K585 VanDerWaalsContact O-N 3.07Å |
| 584 | R | 41.2 | Very low | 43.6 | Very low | 246 Ų | 246 | 121.6 Ų | 121.6 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | trans | -60.8 | 115.6 | 174.6 | -78.4 | -173.1 | 170.6 | -165.7 | -1.9 | 108.4 | P582 G586 | P582-R584 PolarHBondContact O-N 2.92Å; P582-R584 VanDerWaalsContact O-N 3.08Å; R584-G586 PolarHBondContact O-N 3.08Å | ||
| 585 | K | 37 | Very low | 42.8 | Very low | 196 Ų | 196 | 121.6 Ų | 121.6 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | trans | -50.6 | 131.1 | 171.9 | -77.3 | -173.5 | 173.6 | -177.4 | 0 | 109.3 | G583 | G583-K585 PolarHBondContact O-N 3.36Å; G583-K585 VanDerWaalsContact O-N 3.07Å | ||
| 586 | G | 47 | Very low | 42.3 | Very low | 82 Ų | 82 | 120.2 Ų | 120.2 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -57.8 | 138 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R584 | R584-G586 PolarHBondContact O-N 3.08Š| ||
| 587 | M | 34.9 | Very low | 41.7 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 55% | 0.547 | 74% | 0.739 | S | S | . | * | trans | -121.9 | 139.4 | 174.5 | -78.2 | -178.8 | 29.9 | 0 | 0 | 109.1 | G932 | M587-G932 WeakPolarHBondContact CE-O 3.47Å; M587-G932 WeakPolarHBondContact CG-O 3.08Å | ||
| 588 | V | 35.7 | Very low | 41.2 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 142.9 | -162.8 | -174 | 0 | 0 | 0 | 0 | 112.4 | F590 P933 | V588-F590 PolarHBondContact O-N 3.31Å; V588-P933 HydrophobicContact CB-CG 4.32Å; V588-P933 WeakPolarHBondContact O-CG 3.38Å |
| 589 | G | 36.5 | Very low | 40.8 | Very low | 59 Ų | 59 | 122.4 Ų | 122.4 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 118.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 590 | F | 33.3 | Very low | 40.2 | Very low | 155 Ų | 155 | 122 Ų | 122 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 150.2 | 165.8 | -80.5 | -79.4 | 0 | 0 | 0 | 110.8 | V588 P933 R936 | V588-F590 PolarHBondContact O-N 3.31Å; F590-P933 HydrophobicContact CD2-CG 4.38Å; F590-P933 HydrophobicContact CE1-CB 4Å; F590-P933 HydrophobicContact CE1-CG 4.31Å; F590-P933 HydrophobicContact CE2-CB 4.02Å; F590-P933 HydrophobicContact CE2-CG 3.79Å; F590-P933 HydrophobicContact CZ-CB 3.48Å; F590-P933 VanDerWaalsContact CZ-CB 3.48Å; F590-P933 HydrophobicContact CZ-CG 3.76Å; F590-R936 VanDerWaalsContact C-NE 3.32Å |
| 591 | P | 35.8 | Very low | 39.4 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 50% | 0.5 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -68 | 166.9 | -164.6 | 1.4 | -0.7 | 0 | 0 | 0 | 112.3 | R936 | P591-R936 HydrophobicContact CB-CG 4.24Å; P591-R936 VanDerWaalsContact CD-NH1 3.32Å; P591-R936 HydrophobicContact CG-CG 3.65Å; P591-R936 PolarHBondContact O-NH1 2.76Å; P591-R936 PolarHBondContact O-NH2 2.82Å |
| 592 | G | 36.9 | Very low | 38.6 | Very low | 75 Ų | 75 | 125.3 Ų | 125.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | R936 | G592-R936 PolarHBondContact O-NH1 3.38Š|
| 593 | Q | 33.8 | Very low | 37.8 | Very low | 151 Ų | 151 | 124 Ų | 124 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | -145.7 | 100.5 | 165.6 | -128.2 | 168.9 | 0.8 | 0 | 0 | 109.9 | ||||
| 594 | I | 39.2 | Very low | 37 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 65% | 0.646 | 73% | 0.73 | S | S | * | * | trans | 26.6 | 110.9 | 148.3 | -55.9 | 171.3 | 0 | 0 | 0 | 114.7 | ||||
| 595 | G | 35.4 | Very low | 36.6 | Very low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 140.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K597 | G595-K597 PolarHBondContact O-N 3.32Å; G595-K597 VanDerWaalsContact O-N 3.12Å |
| 596 | F | 35.7 | Very low | 36.3 | Very low | 210 Ų | 210 | 116.6 Ų | 116.6 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 118.5 | 173.3 | -67.2 | -83.9 | 0 | 0 | 0 | 109.2 | G598 | F596-G598 PolarHBondContact O-N 2.77Å; F596-G598 VanDerWaalsContact O-N 3.08Å |
| 597 | K | 36.7 | Very low | 35.7 | Very low | 194 Ų | 194 | 121.5 Ų | 121.5 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 116.7 | 163.6 | 176.1 | -179.6 | 178.2 | 178.2 | 0 | 106.6 | G595 | G595-K597 PolarHBondContact O-N 3.32Å; G595-K597 VanDerWaalsContact O-N 3.12Å |
| 598 | G | 41.8 | Very low | 35.7 | Very low | 58 Ų | 58 | 121.6 Ų | 121.6 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 143.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F596 | F596-G598 PolarHBondContact O-N 2.77Å; F596-G598 VanDerWaalsContact O-N 3.08Å |
| 599 | D | 37 | Very low | 35.5 | Very low | 157 Ų | 157 | 121.6 Ų | 121.6 | 84% | 0.84 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 125.3 | -178.7 | -67.6 | -61.9 | 0 | 0 | 0 | 110.1 | G601 | D599-G601 PolarHBondContact O-N 2.68Š|
| 600 | P | 40.9 | Very low | 35.6 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | trans | -57.1 | 115.7 | 172.8 | -23 | 33.7 | 0 | 0 | 0 | 108.6 | E602 | P600-E602 PolarHBondContact O-N 2.98Š| ||
| 601 | G | 36.6 | Very low | 35.6 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | -50.8 | 138.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D599 A603 | D599-G601 PolarHBondContact O-N 2.68Å; G601-A603 PolarHBondContact O-N 2.8Å; G601-A603 VanDerWaalsContact O-N 3.09Å | ||
| 602 | E | 34.3 | Very low | 35.5 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | -51.1 | 119 | -173.3 | -71.4 | -165.2 | 122.6 | 0 | 0 | 110.9 | P600 G604 | P600-E602 PolarHBondContact O-N 2.98Å; E602-G604 PolarHBondContact O-N 2.84Å | ||
| 603 | A | 34 | Very low | 35.4 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -64.3 | 111 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | G601 I605 | G601-A603 PolarHBondContact O-N 2.8Å; G601-A603 VanDerWaalsContact O-N 3.09Å; A603-I605 PolarHBondContact O-N 3.2Å | ||
| 604 | G | 33.6 | Very low | 35.4 | Very low | 58 Ų | 58 | 129.9 Ų | 129.9 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | trans | -53.8 | 135.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E602 L606 | E602-G604 PolarHBondContact O-N 2.84Å; G604-L606 PolarHBondContact O-N 2.92Å | ||
| 605 | I | 32.2 | Very low | 35.2 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | -75.9 | 76 | -176.4 | -56.1 | -178.7 | 0 | 0 | 0 | 109.7 | A603 R607 | A603-I605 PolarHBondContact O-N 3.2Å; I605-R607 VanDerWaalsContact C-N 3.33Å; I605-R607 PolarHBondContact O-N 2.86Å | ||
| 606 | L | 31.4 | Very low | 35.2 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | -71.4 | 83.8 | 174.9 | -80.7 | 158.5 | 0 | 0 | 0 | 110.6 | G604 I608 | G604-L606 PolarHBondContact O-N 2.92Å; L606-I608 HydrophobicContact CB-CG1 4.44Å; L606-I608 HydrophobicContact CD2-CD1 3.89Å; L606-I608 HydrophobicContact CD2-CG1 4.27Å; L606-I608 PolarHBondContact O-N 3.01Å | ||
| 607 | R | 34 | Very low | 35.3 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -82.6 | 59.7 | 177.6 | -149.5 | 175 | -173.5 | -134.9 | -3.8 | 111.9 | I605 Q1614 | I605-R607 VanDerWaalsContact C-N 3.33Å; I605-R607 PolarHBondContact O-N 2.86Å; R607-Q1614 VanDerWaalsContact NH1-OE1 3.09Å | ||
| 608 | I | 35.4 | Very low | 35.5 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 59% | 0.585 | 72% | 0.718 | S | S | * | * | trans | -86.7 | 157.3 | 178.4 | -49.8 | -177 | 0 | 0 | 0 | 111 | L606 | L606-I608 HydrophobicContact CB-CG1 4.44Å; L606-I608 HydrophobicContact CD2-CD1 3.89Å; L606-I608 HydrophobicContact CD2-CG1 4.27Å; L606-I608 PolarHBondContact O-N 3.01Å | ||
| 609 | M | 32.1 | Very low | 35.3 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 52% | 0.522 | 72% | 0.724 | S | S | . | * | trans | 117.8 | 131.4 | 148.3 | -58 | -165.2 | 83.8 | 0 | 0 | 113.8 | Q611 V613 | M609-Q611 HydrophobicContact CE-CG 3.83Å; M609-V613 HydrophobicContact CE-CG2 3.72Å; M609-V613 HydrophobicContact SD-CG2 4.45Å | ||
| 610 | N | 37.3 | Very low | 35.3 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | S | Bend | cis | -136.1 | 146.6 | 29.2 | -69.4 | -91.2 | 0 | 0 | 0 | 111.3 | ||
| 611 | Q | 34.4 | Very low | 35.1 | Very low | 159 Ų | 159 | 122.5 Ų | 122.5 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | S | Bend | cis | -158.7 | 109.2 | 5.7 | -126.9 | 163.9 | 38 | 0 | 0 | 112.8 | M609 | M609-Q611 HydrophobicContact CE-CG 3.83Š|
| 612 | Q | 33.5 | Very low | 35.1 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | -151.3 | 142.2 | 138.9 | -158.6 | 165.6 | 12 | 0 | 0 | 107 | ||||
| 613 | V | 34.6 | Very low | 35.3 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | trans | -107.4 | 114.8 | 173.7 | 178.4 | 0 | 0 | 0 | 0 | 106.4 | M609 | M609-V613 HydrophobicContact CE-CG2 3.72Å; M609-V613 HydrophobicContact SD-CG2 4.45Å | ||
| 614 | L | 34.3 | Very low | 35.8 | Very low | 149 Ų | 149 | 124.7 Ų | 124.7 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 133.5 | 166.5 | -75.5 | 163 | 0 | 0 | 0 | 108 | ||
| 615 | P | 34.7 | Very low | 36.2 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 146 | 151.4 | -15.8 | 30.5 | 0 | 0 | 0 | 108.1 | ||
| 616 | G | 35.1 | Very low | 36.5 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 617 | D | 36.9 | Very low | 36.8 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 140.8 | 172.7 | -58.2 | -72 | 0 | 0 | 0 | 109.3 | G619 | D617-G619 PolarHBondContact O-N 3.2Š|
| 618 | P | 40.7 | Very low | 37.2 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | trans | -53.2 | 112 | 166.1 | -21.2 | 32.6 | 0 | 0 | 0 | 107.1 | N620 | P618-N620 PolarHBondContact O-N 3.37Å; P618-N620 VanDerWaalsContact O-N 3.17Å | ||
| 619 | G | 38.6 | Very low | 37.3 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -51.7 | 127.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | D617 S621 | D617-G619 PolarHBondContact O-N 3.2Å; G619-S621 PolarHBondContact O-N 3.02Å | ||
| 620 | N | 36 | Very low | 38.1 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -36.3 | 127.3 | -170.1 | -72.5 | -9.8 | 0 | 0 | 0 | 110.6 | P618 G622 | P618-N620 PolarHBondContact O-N 3.37Å; P618-N620 VanDerWaalsContact O-N 3.17Å; N620-G622 PolarHBondContact O-N 3.43Å | ||
| 621 | S | 37.1 | Very low | 38.5 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -41.5 | 115.4 | 160.3 | -55.2 | 0 | 0 | 0 | 0 | 106.4 | G619 Y623 | G619-S621 PolarHBondContact O-N 3.02Å; S621-Y623 PolarHBondContact O-N 3.31Å | ||
| 622 | G | 36.6 | Very low | 38.7 | Very low | 65 Ų | 65 | 121.3 Ų | 121.3 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | trans | -50.8 | 132.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | N620 P624 | N620-G622 PolarHBondContact O-N 3.43Å; G622-P624 VanDerWaalsContact O-N 3.14Å | ||
| 623 | Y | 39.3 | Very low | 39.2 | Very low | 201 Ų | 201 | 121.3 Ų | 121.3 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | -42.9 | 128.1 | 172.6 | -73.6 | -83.9 | 0 | 0 | 0 | 107.3 | S621 G625 | S621-Y623 PolarHBondContact O-N 3.31Å; Y623-G625 WeakPolarHBondContact O-CA 3.46Å; Y623-G625 PolarHBondContact O-N 3.07Å | ||
| 624 | P | 44.4 | Very low | 39.7 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | -50.3 | 110.7 | 176.5 | -26 | 34.2 | 0 | 0 | 0 | 106.9 | G622 D626 | G622-P624 VanDerWaalsContact O-N 3.14Å; P624-D626 PolarHBondContact O-N 3.08Å | ||
| 625 | G | 41.3 | Very low | 39.8 | Very low | 66 Ų | 66 | 111.1 Ų | 111.1 | 68% | 0.68 | 70% | 0.699 | S | S | * | * | trans | -54.5 | 130.2 | -160.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y623 K627 | Y623-G625 WeakPolarHBondContact O-CA 3.46Å; Y623-G625 PolarHBondContact O-N 3.07Å; G625-K627 PolarHBondContact O-N 3.24Å | ||
| 626 | D | 39 | Very low | 40.3 | Very low | 159 Ų | 159 | 108 Ų | 108 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | trans | -43.7 | 120.6 | -175 | -72.5 | -59.2 | 0 | 0 | 0 | 108.9 | P624 G628 | P624-D626 PolarHBondContact O-N 3.08Å; D626-G628 WeakPolarHBondContact O-CA 3.24Å; D626-G628 PolarHBondContact O-N 3.14Å | ||
| 627 | K | 37.7 | Very low | 40.6 | Very low | 205 Ų | 205 | 104.9 Ų | 104.9 | 89% | 0.891 | 65% | 0.646 | S | S | * | * | trans | -50.9 | 105.6 | -164.5 | 177.8 | -169.2 | 174.4 | -172 | 0 | 108.4 | G625 E629 | G625-K627 PolarHBondContact O-N 3.24Å; K627-E629 PolarHBondContact O-N 3.12Å | ||
| 628 | G | 41.4 | Very low | 40.7 | Very low | 62 Ų | 62 | 101.4 Ų | 101.4 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | trans | -48.8 | 133.5 | -161.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D626 | D626-G628 WeakPolarHBondContact O-CA 3.24Å; D626-G628 PolarHBondContact O-N 3.14Å | ||
| 629 | E | 37.8 | Very low | 40.8 | Very low | 184 Ų | 184 | 103.8 Ų | 103.8 | 86% | 0.86 | 63% | 0.632 | S | S | * | * | trans | -49.8 | 131.5 | 178.1 | -66.2 | -173.7 | 117.9 | 0 | 0 | 109 | K627 G631 | K627-E629 PolarHBondContact O-N 3.12Å; E629-G631 PolarHBondContact O-N 2.8Å | ||
| 630 | P | 50.3 | Low | 40.9 | Very low | 128 Ų | 128 | 104 Ų | 104 | 83% | 0.831 | 63% | 0.634 | S | S | * | * | trans | -52 | 115.8 | -175.3 | -29.1 | 35.9 | 0 | 0 | 0 | 110.7 | D632 | P630-D632 PolarHBondContact O-N 3.28Š| ||
| 631 | G | 44.6 | Very low | 41.2 | Very low | 64 Ų | 64 | 102.8 Ų | 102.8 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | trans | -54.5 | 127.7 | -155.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E629 L633 | E629-G631 PolarHBondContact O-N 2.8Å; G631-L633 PolarHBondContact O-N 3.38Å | ||
| 632 | D | 38.9 | Very low | 41.1 | Very low | 110 Ų | 110 | 109.3 Ų | 109.3 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | trans | -38.2 | 101 | 178.3 | -87.8 | -14.8 | 0 | 0 | 0 | 112.2 | W6 I10 P630 G634 | W6-D632 HydrophobicContact CH2-CB 4.32Å; W6-D632 HydrophobicContact CZ3-CB 4.03Å; I10-D632 HydrophobicContact CD1-CB 4.07Å; P630-D632 PolarHBondContact O-N 3.28Å; D632-G634 PolarHBondContact O-N 2.99Å | ||
| 633 | L | 44.9 | Very low | 41.4 | Very low | 146 Ų | 146 | 109.6 Ų | 109.6 | 76% | 0.764 | 65% | 0.651 | S | S | * | * | trans | -87.3 | 98.4 | -168.8 | -164.5 | 149 | 0 | 0 | 0 | 109 | G631 | G631-L633 PolarHBondContact O-N 3.38Š| ||
| 634 | G | 43.2 | Very low | 41 | Very low | 17 Ų | 17 | 109.7 Ų | 109.7 | 18% | 0.175 | 66% | 0.659 | C | S | . | * | trans | -62.8 | 175.2 | -155.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | F7 D632 | F7-G634 VanDerWaalsContact CZ-CA 3.42Å; D632-G634 PolarHBondContact O-N 2.99Å | ||
| 635 | D | 37 | Very low | 41.2 | Very low | 28 Ų | 28 | 114.1 Ų | 114.1 | 15% | 0.15 | 67% | 0.666 | C | S | . | * | trans | -28.9 | 145.9 | 153.3 | -103.1 | -179.1 | 0 | 0 | 0 | 111.2 | S2 L4 S5 W6 F7 L8 | S2-D635 CarbonylContact O-C 3.58Å; S2-D635 VanDerWaalsContact O-C 3.24Å; L4-D635 VanDerWaalsContact CA-OD1 3.25Å; L4-D635 WeakPolarHBondContact CA-OD1 3.44Å; L4-D635 VanDerWaalsContact N-CG 3.31Å; L4-D635 PolarHBondContact N-OD1 2.88Å; S5-D635 WeakPolarHBondContact CA-OD2 3.06Å; S5-D635 VanDerWaalsContact N-CG 3.34Å; S5-D635 PolarHBondContact N-OD2 3.34Å; W6-D635 VanDerWaalsContact C-OD2 3.3Å; W6-D635 WeakPolarHBondContact CA-OD2 3.19Å; W6-D635 PolarHBondContact N-OD2 3.44Å; F7-D635 VanDerWaalsContact CA-CG 3.43Å; F7-D635 WeakPolarHBondContact CA-OD2 3.17Å; F7-D635 HydrophobicContact CB-CB 3.54Å; F7-D635 WeakPolarHBondContact CB-OD1 3.3Å; F7-D635 HydrophobicContact CD2-CB 3.74Å; F7-D635 HydrophobicContact CG-CB 3.86Å; F7-D635 VanDerWaalsContact N-CA 3.29Å; F7-D635 PolarHBondContact N-OD2 2.73Å; L8-D635 PolarHBondContact N-OD1 2.85Å; L8-D635 PolarHBondContact N-OD2 3.12Å | ||
| 636 | P | 46.1 | Very low | 41.1 | Very low | 44 Ų | 44 | 113.9 Ų | 113.9 | 29% | 0.286 | 66% | 0.664 | S | S | . | * | cis | -79.7 | -169.4 | 18.9 | 1.3 | -1.1 | 0 | 0 | 0 | 124.2 | M1 S2 I3 S5 W6 | M1-P636 CarbonylContact O-C 3.5Å; S2-P636 VanDerWaalsContact C-CB 3.48Å; S2-P636 CarbonylContact C-O 3.54Å; S2-P636 VanDerWaalsContact CA-C 3.48Å; S2-P636 WeakPolarHBondContact CA-O 3.31Å; S2-P636 CarbonylContact O-C 3.44Å; S2-P636 WeakPolarHBondContact O-CA 3.35Å; S2-P636 WeakPolarHBondContact O-CD 3.09Å; S2-P636 VanDerWaalsContact O-O 3.09Å; I3-P636 HydrophobicContact CB-CB 3.37Å; I3-P636 HydrophobicContact CB-CG 2.68Å; I3-P636 HydrophobicContact CD1-CG 3.98Å; I3-P636 HydrophobicContact CG1-CB 4.46Å; I3-P636 HydrophobicContact CG1-CG 3.04Å; I3-P636 HydrophobicContact CG2-CG 4.24Å; I3-P636 PolarHBondContact N-O 3.14Å; I3-P636 VanDerWaalsContact O-CA 3.31Å; I3-P636 WeakPolarHBondContact O-CA 3.31Å; I3-P636 WeakPolarHBondContact O-CB 2.78Å; S5-P636 VanDerWaalsContact CB-C 3.49Å; S5-P636 WeakPolarHBondContact CB-O 3.42Å; S5-P636 PolarHBondContact N-O 2.73Å; W6-P636 PolarHBondContact N-O 2.88Å | ||
| 637 | G | 39.9 | Very low | 41 | Very low | 7 Ų | 7 | 113 Ų | 113 | 7% | 0.072 | 67% | 0.666 | C | S | . | * | B | Isolated β-bridge | cis | -162.3 | 113.8 | -12 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 L4 F639 | M1-G637 PolarHBondContact O-N 3.3Å; L4-G637 VanDerWaalsContact C-CA 3.46Å; L4-G637 CarbonylContact O-C 3.47Å; L4-G637 WeakPolarHBondContact O-CA 3.42Å; G637-F639 PolarHBondContact O-N 2.98Å |
| 638 | S | 40.2 | Very low | 41.3 | Very low | 74 Ų | 74 | 113.1 Ų | 113.1 | 52% | 0.517 | 67% | 0.667 | S | S | . | * | trans | -80 | 73.9 | -159.9 | 45.3 | 0 | 0 | 0 | 0 | 114.8 | L4 | L4-S638 WeakPolarHBondContact O-CB 3.32Å; L4-S638 PolarHBondContact O-N 2.84Å; L4-S638 PolarHBondContact O-OG 3.22Å | ||
| 639 | F | 42.5 | Very low | 41.4 | Very low | 172 Ų | 172 | 113.8 Ų | 113.8 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | trans | -141.2 | 134 | 160.4 | -68.9 | -97.4 | 0 | 0 | 0 | 107.5 | M1 G637 | M1-F639 HydrophobicContact CE-CB 4.06Å; M1-F639 HydrophobicContact CE-CD2 3.54Å; M1-F639 HydrophobicContact CE-CE2 4.24Å; M1-F639 HydrophobicContact CE-CG 4.04Å; M1-F639 HydrophobicContact SD-CD2 4.23Å; G637-F639 PolarHBondContact O-N 2.98Å | ||
| 640 | G | 40.6 | Very low | 41.5 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 78% | 0.784 | 68% | 0.676 | S | S | * | * | cis | -170.4 | 169.2 | -4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 641 | A | 41.3 | Very low | 40.9 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | trans | -85.5 | 128.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 642 | R | 36.6 | Very low | 40.8 | Very low | 257 Ų | 257 | 119.7 Ų | 119.7 | 97% | 0.97 | 68% | 0.684 | S | S | * | * | trans | -170.1 | 148.9 | 157.9 | -126.9 | 174 | 176.1 | 168.9 | -1.3 | 108.8 | ||||
| 643 | G | 42.4 | Very low | 41.3 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | cis | -157.2 | -170.4 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 644 | E | 31.4 | Very low | 41 | Very low | 204 Ų | 204 | 122.1 Ų | 122.1 | 95% | 0.953 | 70% | 0.704 | S | S | * | * | trans | -99.9 | -175.4 | -158.6 | -63 | 174.8 | 111 | 0 | 0 | 116.7 | ||||
| 645 | F | 47.4 | Very low | 41 | Very low | 215 Ų | 215 | 124.4 Ų | 124.4 | 94% | 0.943 | 73% | 0.727 | S | S | * | * | trans | -65.4 | 159.2 | -169.7 | -99.9 | -104.2 | 0 | 0 | 0 | 117.2 | ||||
| 646 | G | 40.1 | Very low | 41.3 | Very low | 62 Ų | 62 | 129.8 Ų | 129.8 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | -128.4 | 158.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 647 | P | 37 | Very low | 41.5 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | -98.6 | 175.4 | -157.3 | 37.8 | -37.4 | 0 | 0 | 0 | 118 | ||||
| 648 | K | 44.6 | Very low | 41.8 | Very low | 209 Ų | 209 | 136.4 Ų | 136.4 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -64.7 | 147.8 | -169.9 | -70.3 | 177.3 | 174.7 | 174 | 0 | 117.2 | ||||
| 649 | G | 42.4 | Very low | 42.1 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -101.8 | 174 | 148.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 650 | R | 39 | Very low | 42.6 | Very low | 242 Ų | 242 | 138.2 Ų | 138.2 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -131.4 | 140.1 | -170.9 | -99.2 | -171.5 | 176.5 | -168.9 | 0.9 | 115.1 | ||||
| 651 | M | 38.3 | Very low | 43 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 93% | 0.931 | 82% | 0.821 | S | S | * | * | trans | 74.1 | 128.8 | 139.9 | -165 | 172.5 | 76.1 | 0 | 0 | 120.6 | ||||
| 652 | G | 42.7 | Very low | 43.5 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 177.3 | 113.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 653 | L | 49 | Very low | 44 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -129 | 118.7 | 167.8 | -76.5 | 168.2 | 0 | 0 | 0 | 105.7 | ||||
| 654 | P | 39.4 | Very low | 44.3 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | -141 | 177.2 | 83.3 | 38.8 | -23.3 | 0 | 0 | 0 | 112.8 | |||||
| 655 | G | 41.9 | Very low | 44.9 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | cis | -160.3 | 180 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | P657 | G655-P657 VanDerWaalsContact O-CD 3.31Å; G655-P657 WeakPolarHBondContact O-CD 3.33Å | ||
| 656 | T | 44.4 | Very low | 45.2 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 119.8 | -169 | 50.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 657 | P | 51.1 | Low | 45.5 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 150.3 | 148.9 | -9 | 27.7 | 0 | 0 | 0 | 109.5 | G655 | G655-P657 VanDerWaalsContact O-CD 3.31Å; G655-P657 WeakPolarHBondContact O-CD 3.33Å |
| 658 | G | 45.4 | Very low | 45.7 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 161.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P660 | G658-P660 VanDerWaalsContact O-CD 3.31Å; G658-P660 WeakPolarHBondContact O-CD 3.25Å |
| 659 | I | 46.3 | Very low | 45.6 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 121.1 | 172 | -61.2 | 166.7 | 0 | 0 | 0 | 108.7 | G661 | I659-G661 PolarHBondContact O-N 3.46Å; I659-G661 VanDerWaalsContact O-N 3.14Å |
| 660 | P | 52.5 | Low | 45.7 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -62.7 | 114.8 | 160.4 | -15.1 | 30.5 | 0 | 0 | 0 | 107 | G658 | G658-P660 VanDerWaalsContact O-CD 3.31Å; G658-P660 WeakPolarHBondContact O-CD 3.25Å | ||
| 661 | G | 50.3 | Low | 45.7 | Very low | 54 Ų | 54 | 128 Ų | 128 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | trans | -58.9 | 159.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I659 E663 | I659-G661 PolarHBondContact O-N 3.46Å; I659-G661 VanDerWaalsContact O-N 3.14Å; G661-E663 PolarHBondContact O-N 3.29Å | ||
| 662 | P | 51.7 | Low | 46.2 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -54 | 134.3 | 170.2 | 25.8 | -33.9 | 0 | 0 | 0 | 109 | G664 | P662-G664 PolarHBondContact O-N 2.76Š| ||
| 663 | E | 47 | Very low | 46.2 | Very low | 198 Ų | 198 | 124.7 Ų | 124.7 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -60.6 | 107.1 | 168.7 | -174 | 168.7 | -160 | 0 | 0 | 106.8 | G661 | G661-E663 PolarHBondContact O-N 3.29Š| ||
| 664 | G | 48.6 | Very low | 45.7 | Very low | 58 Ų | 58 | 125 Ų | 125 | 60% | 0.598 | 79% | 0.791 | S | S | * | * | trans | -69.2 | 140.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P662 | P662-G664 PolarHBondContact O-N 2.76Š| ||
| 665 | D | 43.9 | Very low | 45.7 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -47.2 | 130.8 | 168.9 | -66.1 | -65.9 | 0 | 0 | 0 | 109.4 | G667 | D665-G667 PolarHBondContact O-N 2.88Š| ||
| 666 | P | 53.4 | Low | 45.6 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -54.7 | 105 | -178.4 | -28.6 | 35.9 | 0 | 0 | 0 | 110.7 | D668 | P666-D668 PolarHBondContact O-N 2.69Š| ||
| 667 | G | 46.7 | Very low | 45.2 | Very low | 67 Ų | 67 | 122.3 Ų | 122.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -56.2 | 137.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D665 R669 | D665-G667 PolarHBondContact O-N 2.88Å; G667-R669 PolarHBondContact O-N 2.04Å; G667-R669 VanDerWaalsContact O-N 3.11Å | ||
| 668 | D | 42 | Very low | 44.4 | Very low | 169 Ų | 169 | 118.9 Ų | 118.9 | 90% | 0.904 | 75% | 0.746 | S | S | * | * | trans | -42.4 | 120.6 | 179.2 | -83.7 | -46.4 | 0 | 0 | 0 | 110.2 | P666 G670 | P666-D668 PolarHBondContact O-N 2.69Å; D668-G670 VanDerWaalsContact C-N 3.34Å; D668-G670 PolarHBondContact O-N 3.42Å | ||
| 669 | R | 42.2 | Very low | 44.2 | Very low | 250 Ų | 250 | 118.4 Ų | 118.4 | 94% | 0.943 | 74% | 0.741 | S | S | * | * | trans | -64.5 | 95.8 | -170.5 | -165.7 | -178.3 | -164.2 | -177.6 | 5.3 | 108.9 | G667 L671 | G667-R669 PolarHBondContact O-N 2.04Å; G667-R669 VanDerWaalsContact O-N 3.11Å; R669-L671 PolarHBondContact O-N 3.28Å | ||
| 670 | G | 44 | Very low | 43.9 | Very low | 61 Ų | 61 | 121.3 Ų | 121.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 134 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D668 P672 | D668-G670 VanDerWaalsContact C-N 3.34Å; D668-G670 PolarHBondContact O-N 3.42Å; G670-P672 VanDerWaalsContact O-CD 3.26Å; G670-P672 WeakPolarHBondContact O-CD 3.27Å; G670-P672 VanDerWaalsContact O-N 3.12Å |
| 671 | L | 38.5 | Very low | 43.1 | Very low | 171 Ų | 171 | 120.4 Ų | 120.4 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 117 | 176.6 | -68.3 | 169.7 | 0 | 0 | 0 | 109.4 | R669 G673 | R669-L671 PolarHBondContact O-N 3.28Å; L671-G673 PolarHBondContact O-N 3.03Å |
| 672 | P | 48.6 | Very low | 42.5 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 120.7 | 171.7 | -21.1 | 33.9 | 0 | 0 | 0 | 108.5 | G670 | G670-P672 VanDerWaalsContact O-CD 3.26Å; G670-P672 WeakPolarHBondContact O-CD 3.27Å; G670-P672 VanDerWaalsContact O-N 3.12Å |
| 673 | G | 43.2 | Very low | 42 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 152.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L671 P675 | L671-G673 PolarHBondContact O-N 3.03Å; G673-P675 WeakPolarHBondContact O-CD 3.23Å |
| 674 | D | 39.8 | Very low | 41.4 | Very low | 175 Ų | 175 | 121.6 Ų | 121.6 | 94% | 0.936 | 74% | 0.743 | S | S | * | * | trans | -80.9 | 110.1 | -178.4 | -59.9 | -67.9 | 0 | 0 | 0 | 113.4 | ||||
| 675 | P | 38.7 | Very low | 40.7 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -142 | 137.5 | 137.7 | 36.4 | -23.5 | 0 | 0 | 0 | 112.6 | G673 | G673-P675 WeakPolarHBondContact O-CD 3.23Š| ||
| 676 | G | 40.6 | Very low | 40.7 | Very low | 67 Ų | 67 | 126.1 Ų | 126.1 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | cis | -160.3 | -168.3 | -2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 677 | L | 35 | Very low | 40.2 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 50% | 0.497 | 75% | 0.746 | S | S | . | * | trans | -75.8 | -174 | -173.3 | -66 | 154.9 | 0 | 0 | 0 | 114.2 | G1184 L1185 | L677-G1184 CarbonylContact C-O 2.96Å; L677-G1184 WeakPolarHBondContact CB-O 3.02Å; L677-G1184 CarbonylContact O-C 3.39Å; L677-G1184 VanDerWaalsContact O-C 3.22Å; L677-L1185 WeakPolarHBondContact O-CA 3.48Å; L677-L1185 WeakPolarHBondContact O-CB 3.43Å; L677-L1185 WeakPolarHBondContact O-CD2 3.36Å; L677-L1185 WeakPolarHBondContact O-CG 3.4Å; L677-L1185 PolarHBondContact O-N 3.45Å | ||
| 678 | D | 34.4 | Very low | 39.9 | Very low | 50 Ų | 50 | 127.5 Ų | 127.5 | 27% | 0.267 | 75% | 0.753 | S | S | . | * | trans | -32.3 | 131.8 | -162.5 | -49.5 | 16 | 0 | 0 | 0 | 129.1 | S1183 G1184 L1185 | D678-S1183 WeakPolarHBondContact OD1-CA 3.43Å; D678-S1183 WeakPolarHBondContact OD2-CB 3.07Å; D678-S1183 PolarHBondContact OD2-OG 3.09Å; D678-G1184 VanDerWaalsContact N-C 3.3Å; D678-G1184 PolarHBondContact OD1-N 2.93Å; D678-G1184 VanDerWaalsContact OD1-N 3.12Å; D678-L1185 VanDerWaalsContact C-CB 3.45Å; D678-L1185 VanDerWaalsContact C-N 3.31Å; D678-L1185 WeakPolarHBondContact O-CA 2.97Å; D678-L1185 WeakPolarHBondContact O-CB 3.48Å; D678-L1185 WeakPolarHBondContact O-CG 3.36Å; D678-L1185 PolarHBondContact O-N 3.4Å | ||
| 679 | G | 42.1 | Very low | 40.4 | Very low | 59 Ų | 59 | 125.2 Ų | 125.2 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | trans | -127.3 | 146 | 146.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 680 | R | 39 | Very low | 40.5 | Very low | 226 Ų | 226 | 116.5 Ų | 116.5 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | -105 | 151 | -166.8 | -69.9 | -175.8 | 174 | 175.2 | -1.2 | 116 | ||||
| 681 | S | 36 | Very low | 40.3 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 100.5 | 96.4 | 143.2 | -62.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 682 | F | 38.2 | Very low | 41 | Very low | 198 Ų | 198 | 119.5 Ų | 119.5 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | 76.5 | 132 | 121.1 | -89.2 | -78.7 | 0 | 0 | 0 | 123.5 | |||||
| 683 | V | 40.8 | Very low | 40.7 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | 66.7 | 70.4 | 164.1 | -161.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 684 | G | 33.4 | Very low | 40.5 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | 70.4 | 118.1 | 93.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 685 | E | 34.8 | Very low | 40.8 | Very low | 188 Ų | 188 | 121.7 Ų | 121.7 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | trans | -150 | 164.1 | 141.1 | -133 | 172.9 | -144.3 | 0 | 0 | 110.5 | ||||
| 686 | T | 44.3 | Very low | 41 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | trans | 20.6 | 112.8 | 167.1 | -49.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 687 | G | 42.5 | Very low | 41 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 153.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 688 | D | 39.7 | Very low | 41.9 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.8 | -172.6 | -61.8 | -72.3 | 0 | 0 | 0 | 114 | G690 | D688-G690 PolarHBondContact O-N 3.4Š|
| 689 | P | 51.7 | Low | 42.4 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59 | 130.3 | 171.7 | -22.3 | 33.3 | 0 | 0 | 0 | 111.6 | ||
| 690 | G | 45.2 | Very low | 42.3 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 147.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D688 | D688-G690 PolarHBondContact O-N 3.4Š|
| 691 | E | 39.4 | Very low | 42.4 | Very low | 180 Ų | 180 | 128.5 Ų | 128.5 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 126.6 | -177.2 | -66.5 | -169.1 | 139.2 | 0 | 0 | 111.7 | G693 | E691-G693 PolarHBondContact O-N 3.48Å; E691-G693 VanDerWaalsContact O-N 3.12Å |
| 692 | P | 53 | Low | 42.5 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119.1 | 173.6 | -25.4 | 35 | 0 | 0 | 0 | 110.4 | Y694 | P692-Y694 PolarHBondContact O-N 3.24Š|
| 693 | G | 42.7 | Very low | 42.5 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -58.3 | 112.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E691 S695 | E691-G693 PolarHBondContact O-N 3.48Å; E691-G693 VanDerWaalsContact O-N 3.12Å; G693-S695 PolarHBondContact O-N 2.69Å | ||
| 694 | Y | 39.2 | Very low | 42.6 | Very low | 220 Ų | 220 | 125 Ų | 125 | 86% | 0.863 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128.1 | -179.6 | -77.4 | -81.8 | 0 | 0 | 0 | 111 | P692 | P692-Y694 PolarHBondContact O-N 3.24Š|
| 695 | S | 45.9 | Very low | 42.6 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.1 | -172.8 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | G693 | G693-S695 PolarHBondContact O-N 2.69Š|
| 696 | G | 42.8 | Very low | 42.5 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 141.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 697 | L | 41 | Very low | 42 | Very low | 171 Ų | 171 | 125 Ų | 125 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 129.8 | 179.2 | -73.9 | 168.3 | 0 | 0 | 0 | 110.9 | G699 | L697-G699 PolarHBondContact O-N 3.37Š|
| 698 | P | 53.3 | Low | 41.5 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 130.8 | 179 | -27.8 | 35.5 | 0 | 0 | 0 | 112.4 | S700 | P698-S700 PolarHBondContact O-N 3.42Š|
| 699 | G | 45.4 | Very low | 41.2 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 135.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L697 K701 | L697-G699 PolarHBondContact O-N 3.37Å; G699-K701 PolarHBondContact O-N 3.12Å |
| 700 | S | 40.1 | Very low | 40.1 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.1 | 179.2 | 48.2 | 0 | 0 | 0 | 0 | 111.1 | P698 G702 | P698-S700 PolarHBondContact O-N 3.42Å; S700-G702 PolarHBondContact O-N 3.08Å |
| 701 | K | 41 | Very low | 39.6 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.6 | 176.2 | -72.8 | -177.4 | 177.1 | 178.1 | 0 | 110 | G699 | G699-K701 PolarHBondContact O-N 3.12Š|
| 702 | G | 37.4 | Very low | 39.3 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 136.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | S700 | S700-G702 PolarHBondContact O-N 3.08Š|
| 703 | I | 39.2 | Very low | 38.2 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85 | 128.4 | 172.3 | -60 | 176.9 | 0 | 0 | 0 | 108.2 | ||
| 704 | P | 43.4 | Very low | 37.7 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64 | 140.3 | -178.5 | -23.2 | 34.1 | 0 | 0 | 0 | 113.5 | ||
| 705 | G | 32.7 | Very low | 37.7 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 143.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 706 | A | 32.8 | Very low | 37.2 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -150.8 | 131.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 707 | K | 34.3 | Very low | 37 | Very low | 214 Ų | 214 | 137.3 Ų | 137.3 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | 58.2 | 113.3 | 157 | -60.1 | 175.8 | -177.5 | 176.7 | 0 | 118 | ||||
| 708 | G | 31.6 | Very low | 36.4 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -101 | 171.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 709 | Y | 32.8 | Very low | 35.4 | Very low | 241 Ų | 241 | 134.6 Ų | 134.6 | 95% | 0.945 | 77% | 0.77 | S | S | * | * | trans | -134 | 145.8 | 159.3 | -124.1 | -95.5 | 0 | 0 | 0 | 107.8 | ||||
| 710 | C | 28.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -117.7 | 146.3 | -171.2 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 711 | D | 33.9 | Very low | 34.3 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -156.5 | 113.7 | 132.1 | -118 | -18.5 | 0 | 0 | 0 | 113.9 | ||||
| 712 | R | 33.3 | Very low | 34.1 | Very low | 206 Ų | 206 | 129.1 Ų | 129.1 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | trans | 51.4 | 133.8 | 135 | -65.8 | 167 | 92.3 | 161.6 | 6.7 | 120.3 | ||||
| 713 | I | 31 | Very low | 34 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | cis | -152.6 | 147.7 | 8.5 | -101.9 | 151 | 0 | 0 | 0 | 110.5 | ||||
| 714 | L | 32 | Very low | 33.8 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -151 | -171.7 | 174.3 | -123.2 | 69.7 | 0 | 0 | 0 | 107 | ||||
| 715 | P | 39.1 | Very low | 33.4 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | cis | -132.8 | -159.5 | -4.4 | 31 | -6.2 | 0 | 0 | 0 | 114.3 | ||||
| 716 | Q | 34.6 | Very low | 33.7 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | 102.8 | 138.1 | 155.7 | -53.5 | -167.9 | 8.7 | 0 | 0 | 118.2 | ||||
| 717 | L | 38.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 137 Ų | 137 | 59% | 0.586 | 74% | 0.742 | S | S | * | * | cis | -137 | 101.2 | 5.5 | -166.1 | 76.2 | 0 | 0 | 0 | 113.5 | K719 | L717-K719 HydrophobicContact CD1-CB 4.47Å; L717-K719 HydrophobicContact CG-CB 4.38Å | ||
| 718 | T | 29.2 | Very low | 34.1 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -88.6 | 141 | 137.4 | 39.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 719 | K | 32.6 | Very low | 34.3 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 44% | 0.435 | 73% | 0.734 | S | S | . | * | trans | -129.6 | 90.4 | 172.4 | -171.4 | -177.7 | -179.8 | -178.4 | 0 | 107.8 | D243 Y245 L717 V721 | D243-K719 IonicContact OD1-NZ 3.96Å; D243-K719 PolarHBondContact OD1-NZ 3.17Å; Y245-K719 HydrophobicContact CE2-CG 4.24Å; Y245-K719 WeakPolarHBondContact OH-CG 3.11Å; L717-K719 HydrophobicContact CD1-CB 4.47Å; L717-K719 HydrophobicContact CG-CB 4.38Å; K719-V721 PolarHBondContact O-N 2.89Å | ||
| 720 | G | 31.1 | Very low | 34.5 | Very low | 54 Ų | 54 | 128.1 Ų | 128.1 | 56% | 0.557 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 127 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y245 | Y245-G720 PolarHBondContact OH-O 3.2Š|
| 721 | V | 31.6 | Very low | 35.2 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 141.8 | 164.9 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | K719 | K719-V721 PolarHBondContact O-N 2.89Š|
| 722 | S | 35.7 | Very low | 35.4 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 150.1 | 175.2 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 723 | G | 35.8 | Very low | 35.7 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 148.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R725 | G723-R725 PolarHBondContact O-N 3.23Š|
| 724 | D | 34.4 | Very low | 36.3 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 124.9 | -177.6 | -71.9 | -60 | 0 | 0 | 0 | 110.6 | G726 | D724-G726 PolarHBondContact O-N 3.37Å; D724-G726 VanDerWaalsContact O-N 3.12Å |
| 725 | R | 35.2 | Very low | 36.8 | Very low | 209 Ų | 209 | 118.4 Ų | 118.4 | 79% | 0.789 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 116.4 | 165.6 | 173.9 | -177.1 | -73 | 179.8 | -6.2 | 106 | G723 F727 | G723-R725 PolarHBondContact O-N 3.23Å; R725-F727 PolarHBondContact O-N 2.66Å |
| 726 | G | 38.4 | Very low | 36.6 | Very low | 63 Ų | 63 | 122.9 Ų | 122.9 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 135.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D724 | D724-G726 PolarHBondContact O-N 3.37Å; D724-G726 VanDerWaalsContact O-N 3.12Å |
| 727 | F | 34.2 | Very low | 36.9 | Very low | 195 Ų | 195 | 124.2 Ų | 124.2 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.8 | 172.1 | -72.7 | -87.8 | 0 | 0 | 0 | 109.1 | R725 G729 | R725-F727 PolarHBondContact O-N 2.66Å; F727-G729 PolarHBondContact O-N 3.06Å |
| 728 | P | 41.2 | Very low | 37.1 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 138.2 | 170.9 | -23.4 | 33.7 | 0 | 0 | 0 | 109.4 | ||
| 729 | G | 37.4 | Very low | 37.4 | Very low | 71 Ų | 71 | 121.2 Ų | 121.2 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 143.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | F727 | F727-G729 PolarHBondContact O-N 3.06Š|
| 730 | D | 36.9 | Very low | 37.9 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 135.5 | -176.4 | -66.9 | -67.3 | 0 | 0 | 0 | 110.6 | G732 | D730-G732 PolarHBondContact O-N 3.45Š|
| 731 | P | 43.2 | Very low | 38.5 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121.6 | 175.1 | -26.2 | 34.6 | 0 | 0 | 0 | 109.4 | L733 | P731-L733 PolarHBondContact O-N 2.04Š|
| 732 | G | 38.9 | Very low | 38.6 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 127.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D730 | D730-G732 PolarHBondContact O-N 3.45Š|
| 733 | L | 37.8 | Very low | 39.1 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 133.3 | 179.8 | -71.4 | 169.9 | 0 | 0 | 0 | 109.2 | P731 G735 | P731-L733 PolarHBondContact O-N 2.04Å; L733-G735 PolarHBondContact O-N 2.84Å; L733-G735 VanDerWaalsContact O-N 3.08Å |
| 734 | P | 45.4 | Very low | 39.5 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 122.3 | 170.7 | -26.2 | 34.8 | 0 | 0 | 0 | 108.9 | ||
| 735 | G | 41.4 | Very low | 39.6 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55 | 142 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L733 Q737 | L733-G735 PolarHBondContact O-N 2.84Å; L733-G735 VanDerWaalsContact O-N 3.08Å; G735-Q737 PolarHBondContact O-N 2.84Å |
| 736 | E | 35.8 | Very low | 39.9 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 119.1 | -175 | -69.3 | -158.2 | 141.1 | 0 | 0 | 111 | G738 | E736-G738 PolarHBondContact O-N 3.34Å; E736-G738 VanDerWaalsContact O-N 3.09Å |
| 737 | Q | 39.3 | Very low | 40.2 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -63.5 | 114.7 | 173.4 | -178.3 | 176.4 | -26.9 | 0 | 0 | 108 | G735 | G735-Q737 PolarHBondContact O-N 2.84Š| ||
| 738 | G | 44.5 | Very low | 40.5 | Very low | 62 Ų | 62 | 134.4 Ų | 134.4 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | trans | -51.3 | 140 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E736 Q740 | E736-G738 PolarHBondContact O-N 3.34Å; E736-G738 VanDerWaalsContact O-N 3.09Å; G738-Q740 PolarHBondContact O-N 2.81Å | ||
| 739 | S | 34.6 | Very low | 40.7 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 83% | 0.834 | S | S | * | * | trans | -64.4 | 88.5 | -176.4 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | G741 | S739-G741 PolarHBondContact O-N 3.47Š| ||
| 740 | Q | 43.1 | Very low | 40.9 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -79.5 | 103 | -174 | -169.8 | 174.9 | 1.3 | 0 | 0 | 112.7 | G738 | G738-Q740 PolarHBondContact O-N 2.81Š| ||
| 741 | G | 44.7 | Very low | 41 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | trans | 69.3 | 92.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118 | S739 S743 | S739-G741 PolarHBondContact O-N 3.47Å; G741-S743 PolarHBondContact O-N 3.45Å | ||
| 742 | R | 32.7 | Very low | 40.9 | Very low | 265 Ų | 265 | 137.1 Ų | 137.1 | 100% | 1 | 84% | 0.84 | S | S | * | * | trans | -82.6 | 111.6 | 170.5 | -160.1 | -176.7 | -163.3 | -157 | 6.4 | 111.2 | ||||
| 743 | S | 45.9 | Very low | 40.9 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 88% | 0.881 | 84% | 0.844 | S | S | * | * | trans | -156.4 | 133 | 175.3 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | G741 | G741-S743 PolarHBondContact O-N 3.45Š| ||
| 744 | G | 44.8 | Very low | 40.8 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | cis | -168.8 | 153.1 | -7.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 745 | M | 36 | Very low | 40.7 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 97% | 0.97 | 85% | 0.846 | S | S | * | * | trans | -94.7 | 133.5 | -171 | -76.1 | 179 | 65.4 | 0 | 0 | 115.2 | ||||
| 746 | K | 41.4 | Very low | 40.6 | Very low | 216 Ų | 216 | 138.6 Ų | 138.6 | 94% | 0.939 | 84% | 0.841 | S | S | * | * | trans | -162.4 | 140.2 | 163.8 | -107.4 | 179.5 | 176.8 | 177.8 | 0 | 107.6 | ||||
| 747 | G | 44.8 | Very low | 40.6 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | cis | -175.1 | 159.5 | -8.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 748 | T | 41.5 | Very low | 41.1 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -113.8 | 119.8 | -167.1 | 53.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 749 | T | 44.8 | Very low | 40.8 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | trans | -166.3 | 145.3 | 162.7 | 23.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 750 | G | 42.1 | Very low | 40.8 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -179.2 | 155.5 | -8.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 751 | L | 39.2 | Very low | 40.5 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -93.3 | 164.3 | 166 | -74.2 | 168.2 | 0 | 0 | 0 | 109 | ||||
| 752 | P | 40.6 | Very low | 40.2 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | cis | -136.8 | -176.3 | 15.5 | 42.4 | -24.7 | 0 | 0 | 0 | 115.9 | ||||
| 753 | G | 39.1 | Very low | 40.3 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 173.3 | 123.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 754 | A | 34.6 | Very low | 39.9 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | trans | -144.7 | 150.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 755 | R | 44 | Very low | 39.6 | Very low | 211 Ų | 211 | 125 Ų | 125 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | cis | -157.9 | 154.5 | -0.9 | 165.9 | -177.8 | -178.2 | -160.4 | 1.6 | 108.5 | I757 | R755-I757 HydrophobicContact CG-CG1 4.3Å; R755-I757 VanDerWaalsContact CZ-CD1 3.48Å | ||
| 756 | G | 38.4 | Very low | 39.6 | Very low | 61 Ų | 61 | 121.6 Ų | 121.6 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -129.8 | 161 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 757 | I | 36.5 | Very low | 39.7 | Very low | 93 Ų | 93 | 121 Ų | 121 | 48% | 0.477 | 76% | 0.757 | S | S | . | * | trans | -160.8 | 161.4 | -177.1 | -19.3 | 168.9 | 0 | 0 | 0 | 108.8 | R755 G1434 | R755-I757 HydrophobicContact CG-CG1 4.3Å; R755-I757 VanDerWaalsContact CZ-CD1 3.48Å; I757-G1434 CarbonylContact O-C 3.55Å; I757-G1434 WeakPolarHBondContact O-CA 3.09Å | ||
| 758 | P | 49.1 | Very low | 39.4 | Very low | 83 Ų | 83 | 120.5 Ų | 120.5 | 54% | 0.539 | 75% | 0.751 | S | S | . | * | -102.8 | -171 | -63 | 35.2 | -21.5 | 0 | 0 | 0 | 112.2 | P1433 G1434 | P758-P1433 CarbonylContact O-C 3.3Å; P758-P1433 VanDerWaalsContact O-C 3.23Å; P758-P1433 VanDerWaalsContact O-CA 3.29Å; P758-P1433 WeakPolarHBondContact O-CA 3.47Å; P758-G1434 WeakPolarHBondContact O-CA 3.33Å; P758-G1434 PolarHBondContact O-N 3.41Å | |||
| 759 | G | 38.3 | Very low | 39.1 | Very low | 26 Ų | 26 | 123.5 Ų | 123.5 | 27% | 0.268 | 75% | 0.753 | S | S | . | * | trans | -173 | 166.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G1431 | G759-G1431 CarbonylContact C-O 3.53Å; G759-G1431 VanDerWaalsContact O-O 3.07Å | ||
| 760 | D | 35.4 | Very low | 38.9 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -126.9 | 167.1 | -160 | -66.7 | -65.5 | 0 | 0 | 0 | 116.1 | ||||
| 761 | D | 36.8 | Very low | 38.8 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | 66.3 | 140.5 | 165.8 | -76.6 | -38.6 | 0 | 0 | 0 | 122.3 | ||||
| 762 | G | 39.1 | Very low | 38.4 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | 154.1 | 76 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 763 | R | 33.6 | Very low | 38.3 | Very low | 244 Ų | 244 | 132.1 Ų | 132.1 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | trans | -111.3 | 172.1 | 160.4 | -74.6 | -179.7 | 170.7 | -177.1 | -0.5 | 108.9 | ||||
| 764 | P | 39.1 | Very low | 38.3 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | cis | -120.6 | -172.5 | -11.1 | 33.7 | -14 | 0 | 0 | 0 | 112.1 | ||||
| 765 | G | 37.7 | Very low | 38.2 | Very low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | cis | 157.4 | -150.4 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 766 | V | 35.1 | Very low | 38.3 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | 74.8 | 132.3 | 168.5 | -129.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 767 | F | 44 | Very low | 38.3 | Very low | 205 Ų | 205 | 130.7 Ų | 130.7 | 90% | 0.899 | 73% | 0.733 | S | S | * | * | trans | 50.6 | 136.4 | 171.4 | -61.9 | -67.9 | 0 | 0 | 0 | 119.7 | ||||
| 768 | G | 38.7 | Very low | 38.1 | Very low | 60 Ų | 60 | 131.9 Ų | 131.9 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | cis | -171.3 | 162.3 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 769 | F | 34.3 | Very low | 37.6 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | 68.9 | 97.6 | 172.2 | -60.9 | -73.1 | 0 | 0 | 0 | 120.8 | ||||
| 770 | K | 41.7 | Very low | 37.6 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | 63.6 | 53.9 | 126.6 | -153.4 | -170.6 | 178.5 | -172.7 | 0 | 118.5 | |||||
| 771 | G | 39.2 | Very low | 37.7 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | -64.8 | 151.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 112 | R773 | G771-R773 PolarHBondContact O-N 3.48Š| ||
| 772 | E | 30.6 | Very low | 37.8 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -64.5 | 104.1 | 173.6 | -64.8 | -170.5 | 126 | 0 | 0 | 110.5 | G774 | E772-G774 PolarHBondContact O-N 2.81Š| ||
| 773 | R | 40.2 | Very low | 37.6 | Very low | 234 Ų | 234 | 140.7 Ų | 140.7 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -78.5 | 95.6 | 177.6 | -168.7 | 175.1 | -63.2 | -179.6 | 2.2 | 109.4 | G771 | G771-R773 PolarHBondContact O-N 3.48Š| ||
| 774 | G | 39 | Very low | 37.4 | Very low | 56 Ų | 56 | 139.1 Ų | 139.1 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | trans | -58.1 | 169.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E772 P776 | E772-G774 PolarHBondContact O-N 2.81Å; G774-P776 VanDerWaalsContact O-CD 3.29Å; G774-P776 WeakPolarHBondContact O-CD 3.23Å; G774-P776 VanDerWaalsContact O-N 3.11Å | ||
| 775 | F | 31.4 | Very low | 37.6 | Very low | 209 Ų | 209 | 137.1 Ų | 137.1 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -28.6 | 103.9 | -174.7 | -62.1 | -87.2 | 0 | 0 | 0 | 115.3 | G777 | F775-G777 PolarHBondContact O-N 2.04Š| ||
| 776 | P | 46.4 | Very low | 37.6 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -59.6 | 127.1 | 160 | -18.9 | 32.9 | 0 | 0 | 0 | 108.2 | G774 | G774-P776 VanDerWaalsContact O-CD 3.29Å; G774-P776 WeakPolarHBondContact O-CD 3.23Å; G774-P776 VanDerWaalsContact O-N 3.11Å | ||
| 777 | G | 38.4 | Very low | 37.7 | Very low | 52 Ų | 52 | 140.8 Ų | 140.8 | 54% | 0.536 | 80% | 0.803 | S | S | . | * | trans | -65.4 | 173.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | F775 I779 | F775-G777 PolarHBondContact O-N 2.04Å; G777-I779 VanDerWaalsContact C-N 3.27Å; G777-I779 PolarHBondContact O-N 3.13Å | ||
| 778 | A | 33 | Very low | 37.5 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 98% | 0.975 | 81% | 0.805 | S | S | * | * | trans | -67.4 | 81.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 779 | I | 37.5 | Very low | 37.4 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -93.7 | 107.6 | 177.9 | -65.1 | 177.1 | 0 | 0 | 0 | 109.3 | G777 | G777-I779 VanDerWaalsContact C-N 3.27Å; G777-I779 PolarHBondContact O-N 3.13Å | ||
| 780 | G | 37.6 | Very low | 37.3 | Very low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | trans | 70.4 | 120.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | P782 | G780-P782 WeakPolarHBondContact O-CD 3.15Š| ||
| 781 | R | 38.7 | Very low | 37.1 | Very low | 260 Ų | 260 | 139.5 Ų | 139.5 | 98% | 0.981 | 81% | 0.805 | S | S | * | * | trans | -87.2 | 116 | 135.1 | -82.4 | -177.7 | 167.5 | -172.8 | -2.8 | 108.3 | ||||
| 782 | P | 37.7 | Very low | 37.3 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -130.3 | 147.6 | 148.5 | 12.9 | 9.1 | 0 | 0 | 0 | 112.6 | G780 | G780-P782 WeakPolarHBondContact O-CD 3.15Š| ||
| 783 | G | 36.2 | Very low | 37.5 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 90.9 | 129.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 784 | F | 29.2 | Very low | 37.4 | Very low | 211 Ų | 211 | 129.9 Ų | 129.9 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -107.8 | 136.2 | 171.6 | -95.4 | -90.3 | 0 | 0 | 0 | 111.5 | ||||
| 785 | A | 42.8 | Very low | 37.2 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | 33.9 | 134.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 786 | G | 37.2 | Very low | 37.3 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -100.6 | 152 | 138.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 787 | Q | 37.6 | Very low | 36.8 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -111.4 | 159.3 | -173.2 | -62.5 | -175.5 | 3.5 | 0 | 0 | 114 | ||||
| 788 | I | 39 | Very low | 36.6 | Very low | 183 Ų | 183 | 135 Ų | 135 | 94% | 0.938 | 78% | 0.784 | S | S | * | * | trans | -177.6 | 157.9 | 133.3 | -95.7 | 154.8 | 0 | 0 | 0 | 109.1 | ||||
| 789 | G | 38.2 | Very low | 36.8 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | 152.9 | -114.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 790 | N | 31.7 | Very low | 36.8 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 65.5 | 112.8 | -179.4 | -78.6 | -70.1 | 0 | 0 | 0 | 119.1 | ||||
| 791 | R | 37.7 | Very low | 36.8 | Very low | 254 Ų | 254 | 131.7 Ų | 131.7 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | -155.9 | 102.8 | 127.1 | -160.5 | 169.3 | -173.1 | 166.2 | 2.9 | 115.8 | |||||
| 792 | G | 44 | Very low | 36.4 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | 56.2 | 102.2 | 133.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 793 | L | 33.3 | Very low | 36.7 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | trans | -83.7 | -177.9 | 149.7 | -66.2 | 163.8 | 0 | 0 | 0 | 109 | ||||
| 794 | D | 39.4 | Very low | 37.3 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 40% | 0.396 | 69% | 0.694 | S | S | . | * | cis | -163.8 | 167.9 | 25.1 | -148 | -16.6 | 0 | 0 | 0 | 112.5 | K370 P418 | K370-D794 IonicContact NZ-OD2 2.73Å; K370-D794 PolarHBondContact NZ-OD2 2.88Å; P418-D794 VanDerWaalsContact CD-CG 3.43Å; P418-D794 WeakPolarHBondContact CD-OD1 3.26Å; P418-D794 VanDerWaalsContact CD-OD2 3.28Å; P418-D794 WeakPolarHBondContact CD-OD2 3.07Å | ||
| 795 | G | 34.3 | Very low | 37.6 | Very low | 56 Ų | 56 | 117.4 Ų | 117.4 | 58% | 0.577 | 68% | 0.683 | S | S | * | * | trans | 162.6 | 105.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 796 | F | 33.6 | Very low | 38 | Very low | 165 Ų | 165 | 118.7 Ų | 118.7 | 72% | 0.724 | 68% | 0.684 | S | S | * | * | trans | -104.1 | 168.8 | 164.9 | -80.6 | -162.1 | 0 | 0 | 0 | 109.4 | P418 | P418-F796 HydrophobicContact CB-CD1 3.71Å; P418-F796 HydrophobicContact CB-CE1 3.57Å; P418-F796 HydrophobicContact CB-CE2 4.4Å; P418-F796 HydrophobicContact CB-CG 4.19Å; P418-F796 HydrophobicContact CB-CZ 3.94Å; P418-F796 HydrophobicContact CG-CD1 3.7Å; P418-F796 HydrophobicContact CG-CD2 3.61Å; P418-F796 HydrophobicContact CG-CE1 3.61Å; P418-F796 HydrophobicContact CG-CE2 3.51Å; P418-F796 HydrophobicContact CG-CG 3.69Å; P418-F796 HydrophobicContact CG-CZ 3.51Å | ||
| 797 | R | 35.6 | Very low | 38.3 | Very low | 250 Ų | 250 | 118.4 Ų | 118.4 | 94% | 0.943 | 68% | 0.682 | S | S | * | * | cis | -153.2 | 151.3 | 26.4 | 178.1 | -175.1 | -177.4 | -174.3 | 2.7 | 110.2 | ||||
| 798 | G | 33.4 | Very low | 38.2 | Very low | 67 Ų | 67 | 118.5 Ų | 118.5 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | 171.4 | 101.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 799 | E | 37.4 | Very low | 38 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -72.3 | 154.9 | 154.4 | -97.1 | -159.7 | -151.4 | 0 | 0 | 109.8 | ||||
| 800 | P | 38 | Very low | 37.9 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | cis | -137.3 | 173.3 | 37.4 | 20.5 | 5.7 | 0 | 0 | 0 | 116.5 | R1400 | P800-R1400 HydrophobicContact CB-CG 3.97Å; P800-R1400 HydrophobicContact CG-CG 4.42Å | ||
| 801 | G | 38.7 | Very low | 37.9 | Very low | 27 Ų | 27 | 120.4 Ų | 120.4 | 28% | 0.278 | 69% | 0.687 | S | S | . | * | cis | 144.6 | -122.8 | 15.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1400 G1401 | G801-R1400 VanDerWaalsContact C-CA 3.43Å; G801-R1400 VanDerWaalsContact C-CG 3.44Å; G801-R1400 CarbonylContact O-C 3.43Å; G801-R1400 VanDerWaalsContact O-CA 3.24Å; G801-R1400 WeakPolarHBondContact O-CA 3.37Å; G801-G1401 PolarHBondContact O-N 2.84Å | ||
| 802 | F | 29 | Very low | 37.8 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 39% | 0.39 | 68% | 0.683 | S | S | . | * | trans | -154.2 | 143.4 | -160.7 | 3.3 | -78.1 | 0 | 0 | 0 | 116.8 | R1400 G1401 L1402 P1403 | F802-R1400 VanDerWaalsContact O-CD 3.26Å; F802-R1400 WeakPolarHBondContact O-CD 3.02Å; F802-R1400 PolarHBondContact O-NE 2.97Å; F802-G1401 VanDerWaalsContact CA-N 3.31Å; F802-G1401 WeakPolarHBondContact CA-O 3.26Å; F802-G1401 WeakPolarHBondContact CB-O 3.03Å; F802-L1402 VanDerWaalsContact CB-CA 3.44Å; F802-L1402 HydrophobicContact CB-CD2 4.34Å; F802-P1403 VanDerWaalsContact CB-CD 3.44Å; F802-P1403 HydrophobicContact CB-CG 4Å; F802-P1403 HydrophobicContact CD2-CG 3.88Å; F802-P1403 HydrophobicContact CG-CG 3.95Å | ||
| 803 | Q | 44.6 | Very low | 37.6 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | 87.7 | 133 | -51.4 | -61.1 | -173 | -50.2 | 0 | 0 | 127.2 | R1400 G1401 L1402 | Q803-R1400 HydrophobicContact CB-CB 3.67Å; Q803-R1400 WeakPolarHBondContact CB-O 3.5Å; Q803-R1400 HydrophobicContact CG-CB 3.95Å; Q803-G1401 CarbonylContact O-C 2.92Å; Q803-G1401 WeakPolarHBondContact O-CA 3.42Å; Q803-L1402 VanDerWaalsContact C-CG 3.5Å; Q803-L1402 VanDerWaalsContact O-CA 3.27Å; Q803-L1402 WeakPolarHBondContact O-CA 3.25Å; Q803-L1402 WeakPolarHBondContact O-CB 3.42Å; Q803-L1402 WeakPolarHBondContact O-CG 3.01Å; Q803-L1402 PolarHBondContact O-N 3.36Å | |||
| 804 | G | 48.4 | Very low | 37.6 | Very low | 58 Ų | 58 | 116.9 Ų | 116.9 | 60% | 0.598 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 174 | -145.3 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||
| 805 | P | 36.5 | Very low | 37.3 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 144 | -176.3 | 30.1 | -36.7 | 0 | 0 | 0 | 113.8 | ||
| 806 | P | 50.4 | Low | 37.3 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 135.5 | 176.4 | -20.8 | 33.5 | 0 | 0 | 0 | 113.5 | ||
| 807 | G | 44.7 | Very low | 37.3 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 153.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 808 | L | 34.6 | Very low | 37.2 | Very low | 184 Ų | 184 | 117 Ų | 117 | 96% | 0.963 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 145.4 | 178.9 | -72.7 | 168.3 | 0 | 0 | 0 | 112.4 | ||
| 809 | K | 35.2 | Very low | 37.3 | Very low | 208 Ų | 208 | 118 Ų | 118 | 90% | 0.904 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 121.7 | -175.3 | -172.8 | 178.6 | -177.8 | -179.7 | 0 | 110.8 | ||
| 810 | G | 36.1 | Very low | 37.1 | Very low | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -135.6 | 58.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 811 | Q | 30.8 | Very low | 37.2 | Very low | 150 Ų | 150 | 117.2 Ų | 117.2 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | 52.8 | 115.1 | 162.2 | -65.1 | -172.7 | -4.2 | 0 | 0 | 121.3 | ||||
| 812 | K | 35.9 | Very low | 36.7 | Very low | 202 Ų | 202 | 119.5 Ų | 119.5 | 88% | 0.878 | 72% | 0.724 | S | S | * | * | trans | -59.3 | 140.4 | 139.5 | 172.9 | -176.4 | 179.6 | 179.9 | 0 | 109.4 | ||||
| 813 | G | 40.8 | Very low | 36.9 | Very low | 40 Ų | 40 | 126.3 Ų | 126.3 | 41% | 0.412 | 75% | 0.747 | S | S | . | * | cis | -134.9 | -120.8 | -27.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | K218 | K218-G813 PolarHBondContact NZ-O 3.17Š| ||
| 814 | M | 33.1 | Very low | 36.5 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | cis | -160.2 | 169.7 | -12.2 | -67.4 | -176.2 | 60.3 | 0 | 0 | 104.7 | ||||
| 815 | I | 32.4 | Very low | 35.8 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | cis | -116.1 | 158.3 | 2.1 | -82 | 175.6 | 0 | 0 | 0 | 109 | E817 | I815-E817 HydrophobicContact CG2-CB 4.04Å; I815-E817 HydrophobicContact CG2-CG 4.04Å; I815-E817 VanDerWaalsContact CG2-N 3.34Å | ||
| 816 | G | 34.7 | Very low | 35.6 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -144.4 | 64.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 817 | E | 33.5 | Very low | 35 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -75.7 | 126 | 176.1 | -84.6 | -173.6 | 156.5 | 0 | 0 | 110.8 | I815 | I815-E817 HydrophobicContact CG2-CB 4.04Å; I815-E817 HydrophobicContact CG2-CG 4.04Å; I815-E817 VanDerWaalsContact CG2-N 3.34Å | ||
| 818 | Q | 33.4 | Very low | 34.7 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 55.5 | 97.1 | 147.8 | -151.9 | 162.5 | 11.4 | 0 | 0 | 117.8 | ||||
| 819 | G | 34.4 | Very low | 34.5 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -135.3 | 33.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 820 | D | 33.6 | Very low | 34.7 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | -61.8 | 165.1 | 174.4 | -95 | -44.3 | 0 | 0 | 0 | 112.9 | ||||
| 821 | P | 40.1 | Very low | 34.4 | Very low | 91 Ų | 91 | 134 Ų | 134 | 59% | 0.591 | 76% | 0.764 | S | S | * | * | cis | -136.9 | -170.9 | -13.7 | 35.1 | -15.7 | 0 | 0 | 0 | 112.7 | R823 | P821-R823 PolarHBondContact O-N 3.33Š| ||
| 822 | G | 29.6 | Very low | 34.4 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -62.3 | 109.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | V824 | G822-V824 PolarHBondContact O-N 3Š|
| 823 | R | 31.4 | Very low | 34.5 | Very low | 231 Ų | 231 | 130.9 Ų | 130.9 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -33 | 135.3 | 163.9 | -105.4 | -178.8 | 163.6 | -152.1 | -0.7 | 110.5 | P821 | P821-R823 PolarHBondContact O-N 3.33Š|
| 824 | V | 36.2 | Very low | 34.3 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | cis | -140.4 | 140 | 25.6 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | G822 | G822-V824 PolarHBondContact O-N 3Š| ||
| 825 | S | 35.4 | Very low | 34.5 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -1.4 | 141.5 | 149.7 | -47.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 826 | Y | 31.2 | Very low | 34.8 | Very low | 227 Ų | 227 | 133.7 Ų | 133.7 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | 27.4 | 136.6 | 133.7 | -60.8 | -89.4 | 0 | 0 | 0 | 119.3 | ||||
| 827 | A | 37.9 | Very low | 35.1 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | -164.9 | 177.7 | 51.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 828 | S | 37.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 61.9 | 115.8 | 150.8 | 50.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 829 | K | 30.7 | Very low | 35.5 | Very low | 221 Ų | 221 | 130.5 Ų | 130.5 | 96% | 0.961 | 79% | 0.789 | S | S | * | * | trans | 13.8 | 115.1 | 144.4 | -64.2 | 179.1 | 177.4 | 178.2 | 0 | 118.8 | ||||
| 830 | G | 40.7 | Very low | 35.2 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -167.3 | 142.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 831 | I | 29.3 | Very low | 35.2 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -122 | 143.5 | -176.3 | -37.8 | 176.2 | 0 | 0 | 0 | 110.2 | ||||
| 832 | K | 29.9 | Very low | 34.9 | Very low | 215 Ų | 215 | 133.5 Ų | 133.5 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | 68.1 | 156.6 | -172.1 | -62.2 | -179 | 175.7 | 177.5 | 0 | 113.8 | ||||
| 833 | G | 39.3 | Very low | 35.5 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 134.6 | 64.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q835 | G833-Q835 PolarHBondContact O-N 2.92Å; G833-Q835 VanDerWaalsContact O-N 3.11Å | ||
| 834 | L | 35.8 | Very low | 35.7 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -72.4 | 97.9 | 158.1 | -86.5 | 107.3 | 0 | 0 | 0 | 108 | ||||
| 835 | Q | 37.8 | Very low | 35.5 | Very low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 140.8 | 166.2 | -159.4 | 164.4 | 9.5 | 0 | 0 | 110.8 | G833 R1075 | G833-Q835 PolarHBondContact O-N 2.92Å; G833-Q835 VanDerWaalsContact O-N 3.11Å; Q835-R1075 PolarHBondContact O-NH2 2.87Å |
| 836 | G | 39 | Very low | 35.3 | Very low | 53 Ų | 53 | 132.9 Ų | 132.9 | 55% | 0.546 | 82% | 0.815 | S | S | . | * | P | Polyproline II helix | trans | -98.5 | 165.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 837 | V | 39.4 | Very low | 35.7 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 159.5 | 136.9 | -81.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 838 | P | 41.6 | Very low | 35.6 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | cis | -130.2 | -175.1 | 10.6 | 41.1 | -24.9 | 0 | 0 | 0 | 114.5 | ||||
| 839 | G | 33.4 | Very low | 35.8 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 171.4 | 119.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 840 | S | 29.3 | Very low | 36 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -145.5 | 66.3 | -178.1 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 841 | I | 34.4 | Very low | 35.9 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 92% | 0.918 | 80% | 0.802 | S | S | * | * | trans | -145 | 134.9 | 162.9 | -52.4 | 178.4 | 0 | 0 | 0 | 105.1 | ||||
| 842 | G | 33.2 | Very low | 36.3 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | cis | -167.5 | 170.1 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 843 | L | 42.3 | Very low | 36.4 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -95 | 156.2 | 171.6 | -67 | 166.5 | 0 | 0 | 0 | 109.5 | ||||
| 844 | P | 36 | Very low | 36.1 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | -146.7 | 160.2 | 94.9 | 38.6 | -23.7 | 0 | 0 | 0 | 115.6 | |||||
| 845 | G | 30.9 | Very low | 36 | Very low | 62 Ų | 62 | 129.4 Ų | 129.4 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | trans | 133.6 | 97.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 846 | T | 32 | Very low | 36 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | 57.8 | 153.2 | 159.5 | 62.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 847 | D | 38.5 | Very low | 35.8 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | cis | -157 | 152.7 | -31.3 | -87.7 | -31.7 | 0 | 0 | 0 | 105 | ||||
| 848 | G | 37.3 | Very low | 35.4 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | cis | -163.1 | 141.3 | -11.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 849 | M | 40.9 | Very low | 35.3 | Very low | 180 Ų | 180 | 133 Ų | 133 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -72 | 164 | -171.5 | -54.7 | -173.6 | 90 | 0 | 0 | 112.7 | ||||
| 850 | P | 34.7 | Very low | 35.2 | Very low | 132 Ų | 132 | 133 Ų | 133 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | -140.6 | 114.7 | 106.3 | 30.9 | -15.1 | 0 | 0 | 0 | 116 | |||||
| 851 | G | 39 | Very low | 35.3 | Very low | 55 Ų | 55 | 135.9 Ų | 135.9 | 57% | 0.567 | 83% | 0.828 | S | S | * | * | 49 | 105.2 | 128 | 0 | 0 | 0 | 0 | 0 | 121.7 | K853 | G851-K853 PolarHBondContact O-N 3.49Š| |||
| 852 | L | 36.8 | Very low | 35.3 | Very low | 189 Ų | 189 | 135.9 Ų | 135.9 | 99% | 0.99 | 82% | 0.817 | S | S | * | * | trans | -71.2 | 108.2 | 138.2 | -81.4 | 167.4 | 0 | 0 | 0 | 108.4 | ||||
| 853 | K | 31.9 | Very low | 35.5 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -137.9 | 103.7 | -179.3 | -163.2 | 175.9 | -174.2 | 179.8 | 0 | 114.2 | G851 | G851-K853 PolarHBondContact O-N 3.49Š| ||
| 854 | G | 34.2 | Very low | 35.1 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 81.2 | 143.2 | 153 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 855 | F | 33.2 | Very low | 35.2 | Very low | 219 Ų | 219 | 131.1 Ų | 131.1 | 96% | 0.961 | 79% | 0.79 | S | S | * | * | trans | -93.1 | 114.5 | 154.6 | -74.2 | -88.7 | 0 | 0 | 0 | 108.2 | ||||
| 856 | P | 38.2 | Very low | 35.6 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -82 | 161.6 | 171.3 | -11.9 | 30.3 | 0 | 0 | 0 | 112.2 | ||||
| 857 | G | 35.1 | Very low | 35.7 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -75.7 | -178 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S859 | G857-S859 PolarHBondContact O-N 2.03Š| ||
| 858 | R | 31.2 | Very low | 35.9 | Very low | 250 Ų | 250 | 127.5 Ų | 127.5 | 94% | 0.943 | 76% | 0.755 | S | S | * | * | trans | -75.8 | 105.5 | -175.6 | -86 | -174.1 | 170.1 | -171.8 | -2.4 | 114.1 | ||||
| 859 | S | 37.8 | Very low | 36.2 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | 57.5 | 130.8 | 129.5 | 62.5 | 0 | 0 | 0 | 0 | 122.4 | G857 | G857-S859 PolarHBondContact O-N 2.03Š| |||
| 860 | G | 32.2 | Very low | 36.2 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -157.9 | 106.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 861 | L | 31.6 | Very low | 36.6 | Very low | 184 Ų | 184 | 128.3 Ų | 128.3 | 96% | 0.963 | 75% | 0.75 | S | S | * | * | trans | 60.1 | -175.1 | 161.9 | -67 | 168.5 | 0 | 0 | 0 | 119.9 | ||||
| 862 | R | 35.1 | Very low | 36.8 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | trans | -139.7 | 143.3 | -135.7 | 170.8 | -161.4 | -97.1 | -135.1 | 4.3 | 115 | G914 M915 | R862-G914 PolarHBondContact NH1-O 3.41Å; R862-M915 PolarHBondContact NH2-O 3.02Å | ||
| 863 | G | 37.3 | Very low | 36.9 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -159.1 | 135.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 864 | V | 32.5 | Very low | 38 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | -78.9 | 154.9 | -172.5 | -80.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 865 | D | 38.5 | Very low | 38.7 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 47% | 0.465 | 74% | 0.744 | S | S | . | * | cis | -142 | -105.1 | -26.2 | -168 | 54.2 | 0 | 0 | 0 | 112.2 | R913 | D865-R913 VanDerWaalsContact CG-CB 3.42Å; D865-R913 WeakPolarHBondContact OD1-CB 3.27Å; D865-R913 WeakPolarHBondContact OD2-CB 3.05Å; D865-R913 PolarHBondContact OD2-N 3.4Å | ||
| 866 | G | 40 | Very low | 39.1 | Very low | 58 Ų | 58 | 122.4 Ų | 122.4 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | cis | -161.8 | 137.2 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 867 | S | 34 | Very low | 39.4 | Very low | 33 Ų | 33 | 126.2 Ų | 126.2 | 23% | 0.231 | 74% | 0.743 | C | S | . | * | trans | -127.1 | 156.8 | -131.5 | 58 | 0 | 0 | 0 | 0 | 120.7 | K910 G911 I912 | S867-K910 WeakPolarHBondContact O-CA 3.39Å; S867-K910 WeakPolarHBondContact O-CB 3.19Å; S867-K910 VanDerWaalsContact O-CD 3.27Å; S867-K910 WeakPolarHBondContact O-CD 3.45Å; S867-K910 WeakPolarHBondContact O-CG 3.26Å; S867-G911 PolarHBondContact O-N 2.87Å; S867-G911 WeakPolarHBondContact OG-CA 3.05Å; S867-I912 PolarHBondContact OG-N 3.02Å | ||
| 868 | Y | 42.4 | Very low | 39.9 | Very low | 182 Ų | 182 | 126.1 Ų | 126.1 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | trans | -112.2 | 166.8 | 154.9 | -88.2 | -46.3 | 0 | 0 | 0 | 108.4 | K910 | Y868-K910 HydrophobicContact CD1-CD 4.32Å; Y868-K910 HydrophobicContact CD1-CG 3.54Å; Y868-K910 HydrophobicContact CE1-CD 4.26Å; Y868-K910 HydrophobicContact CE1-CG 3.41Å; Y868-K910 VanDerWaalsContact CE1-CG 3.41Å; Y868-K910 HydrophobicContact CG-CD 4.46Å; Y868-K910 HydrophobicContact CG-CG 4.15Å | ||
| 869 | G | 43 | Very low | 40.2 | Very low | 56 Ų | 56 | 122.9 Ų | 122.9 | 58% | 0.577 | 74% | 0.742 | S | S | * | * | cis | 124.5 | 73.9 | 7.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 870 | P | 42.8 | Very low | 40.5 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 153.9 | -170.3 | 33 | -35.8 | 0 | 0 | 0 | 114.5 | ||
| 871 | K | 42.5 | Very low | 41 | Very low | 209 Ų | 209 | 125.7 Ų | 125.7 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 127.2 | -179.8 | -164.2 | 173.3 | -174 | 175.3 | 0 | 111.1 | ||
| 872 | G | 43 | Very low | 41.3 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 152.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 873 | Y | 39.1 | Very low | 41.5 | Very low | 224 Ų | 224 | 124.4 Ų | 124.4 | 88% | 0.878 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 144.5 | 176.9 | -64.7 | -85.9 | 0 | 0 | 0 | 112.2 | G875 | Y873-G875 PolarHBondContact O-N 2.91Š|
| 874 | P | 53.8 | Low | 41.3 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.8 | 167.6 | -20 | 32.7 | 0 | 0 | 0 | 110.8 | ||
| 875 | G | 50 | Low | 41.4 | Very low | 64 Ų | 64 | 127.2 Ų | 127.2 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 153.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y873 | Y873-G875 PolarHBondContact O-N 2.91Š|
| 876 | P | 41.9 | Very low | 41.3 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.7 | 174.8 | 28.2 | -34.7 | 0 | 0 | 0 | 111.1 | G878 | P876-G878 PolarHBondContact O-N 2.88Š|
| 877 | K | 43.7 | Very low | 40.8 | Very low | 207 Ų | 207 | 131.5 Ų | 131.5 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126 | 172.4 | -75.4 | -175.7 | 175.6 | -179.6 | 0 | 109.7 | ||
| 878 | G | 45.3 | Very low | 41 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P876 | P876-G878 PolarHBondContact O-N 2.88Š|
| 879 | L | 38.1 | Very low | 40.8 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 139.1 | 174.7 | -74.2 | 165.9 | 0 | 0 | 0 | 110.7 | G881 | L879-G881 PolarHBondContact O-N 3.41Š|
| 880 | Q | 45.1 | Very low | 40.4 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -81.6 | 114.6 | 178.9 | -170.8 | 171.6 | 25.8 | 0 | 0 | 109.8 | ||||
| 881 | G | 42.3 | Very low | 40 | Very low | 59 Ų | 59 | 140.7 Ų | 140.7 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 149.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L879 | L879-G881 PolarHBondContact O-N 3.41Š|
| 882 | P | 37.6 | Very low | 39.5 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 142 | -178.9 | 29.2 | -34.9 | 0 | 0 | 0 | 111.7 | ||
| 883 | K | 39.8 | Very low | 39 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 124.3 | 168.5 | -70.8 | -175.2 | 176.5 | -176.6 | 0 | 109.7 | ||
| 884 | G | 33 | Very low | 38.7 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 158.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 885 | L | 33.1 | Very low | 37.9 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -115.3 | 139.2 | 170.6 | -89.9 | 156.9 | 0 | 0 | 0 | 109 | ||||
| 886 | P | 36.6 | Very low | 37.2 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -93.9 | 157.4 | -165.4 | 36.6 | -36.1 | 0 | 0 | 0 | 114.1 | ||||
| 887 | S | 30.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -114.5 | 141.9 | 169.4 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 888 | I | 37 | Very low | 36.2 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | -147.4 | 137.2 | 176.5 | -56.9 | 177.9 | 0 | 0 | 0 | 106.9 | ||||
| 889 | G | 38.6 | Very low | 36.2 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | 156.3 | 123.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 890 | R | 35.4 | Very low | 36.1 | Very low | 216 Ų | 216 | 134.4 Ų | 134.4 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -163.3 | 141.6 | 159.5 | -85.6 | -171.5 | 176.6 | -111.9 | 8.3 | 106.1 | ||||
| 891 | E | 33.8 | Very low | 35.8 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | -145 | -179.1 | -13.4 | -117 | 155.5 | 147.9 | 0 | 0 | 109.1 | ||||
| 892 | L | 32.6 | Very low | 36 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -63.1 | 160 | -159.4 | -68.7 | 68.8 | 0 | 0 | 0 | 115.5 | ||||
| 893 | G | 32 | Very low | 35.8 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | cis | -171.1 | -169.3 | 4.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 894 | A | 32.5 | Very low | 35.7 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -155 | 147.7 | 6.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 895 | I | 37.3 | Very low | 36.2 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | trans | 47.2 | 131.1 | 144.1 | -56.8 | 172.9 | 0 | 0 | 0 | 120.8 | ||||
| 896 | G | 34.3 | Very low | 36.2 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -120.8 | 177.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 897 | V | 32.9 | Very low | 36.2 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -116.7 | 151.8 | -168.4 | -165.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 898 | K | 33.6 | Very low | 36.5 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | -93.6 | 161.5 | -174 | -158.7 | 179 | -166.4 | 174.3 | 0 | 111.8 | E948 | K898-E948 VanDerWaalsContact NZ-CD 3.28Å; K898-E948 IonicContact NZ-OE1 3.67Å; K898-E948 PolarHBondContact NZ-OE1 3.28Å | ||
| 899 | G | 44.7 | Very low | 37 | Very low | 62 Ų | 62 | 125 Ų | 125 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | trans | -150.9 | 162.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 900 | R | 36.3 | Very low | 36.8 | Very low | 249 Ų | 249 | 128.2 Ų | 128.2 | 94% | 0.94 | 77% | 0.765 | S | S | * | * | trans | 165 | 175.4 | 175 | -100.7 | 160.5 | -169.7 | -121.2 | 3.7 | 109.1 | ||||
| 901 | P | 38.7 | Very low | 36.9 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | cis | -125.4 | -179.3 | -30.1 | 36.2 | -19.9 | 0 | 0 | 0 | 112.2 | ||||
| 902 | G | 46.2 | Very low | 37.4 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | -111.1 | 160.6 | 169 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 903 | I | 34 | Very low | 37.7 | Very low | 165 Ų | 165 | 122.2 Ų | 122.2 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -141.6 | 177.3 | 176 | -8.8 | 178.4 | 0 | 0 | 0 | 110.1 | ||||
| 904 | P | 36.7 | Very low | 37.8 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | -112.7 | 164 | -117.7 | 39.4 | -24.9 | 0 | 0 | 0 | 115.3 | |||||
| 905 | G | 44.1 | Very low | 38 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -105.1 | 171.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 906 | S | 32.4 | Very low | 38.4 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -158.4 | 155.1 | 169.7 | 69 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 907 | F | 37.4 | Very low | 38.4 | Very low | 202 Ų | 202 | 123.4 Ų | 123.4 | 89% | 0.886 | 74% | 0.74 | S | S | * | * | trans | 59.3 | 105.3 | 159.2 | -52.4 | -56.9 | 0 | 0 | 0 | 123.4 | ||||
| 908 | G | 36.7 | Very low | 38.3 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | 92.3 | 100.3 | 105.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 909 | P | 47.9 | Very low | 38.2 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | trans | -102.6 | 134.4 | 176.1 | 35.9 | -30.1 | 0 | 0 | 0 | 114.9 | ||||
| 910 | K | 34.4 | Very low | 37.4 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | trans | -112.8 | 151.4 | 154.7 | -94 | -145.5 | 162.5 | -172.7 | 0 | 110.5 | S867 Y868 | S867-K910 WeakPolarHBondContact O-CA 3.39Å; S867-K910 WeakPolarHBondContact O-CB 3.19Å; S867-K910 VanDerWaalsContact O-CD 3.27Å; S867-K910 WeakPolarHBondContact O-CD 3.45Å; S867-K910 WeakPolarHBondContact O-CG 3.26Å; Y868-K910 HydrophobicContact CD1-CD 4.32Å; Y868-K910 HydrophobicContact CD1-CG 3.54Å; Y868-K910 HydrophobicContact CE1-CD 4.26Å; Y868-K910 HydrophobicContact CE1-CG 3.41Å; Y868-K910 VanDerWaalsContact CE1-CG 3.41Å; Y868-K910 HydrophobicContact CG-CD 4.46Å; Y868-K910 HydrophobicContact CG-CG 4.15Å | ||
| 911 | G | 36.8 | Very low | 37.3 | Very low | 47 Ų | 47 | 120.1 Ų | 120.1 | 49% | 0.485 | 74% | 0.739 | S | S | . | * | trans | -109 | -151 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | S867 | S867-G911 PolarHBondContact O-N 2.87Å; S867-G911 WeakPolarHBondContact OG-CA 3.05Å | ||
| 912 | I | 44.7 | Very low | 37 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 80% | 0.795 | 75% | 0.746 | S | S | * | * | trans | -133.3 | 155.7 | -157.5 | 47.9 | 163.3 | 0 | 0 | 0 | 113.8 | S867 | S867-I912 PolarHBondContact OG-N 3.02Š| ||
| 913 | R | 38.2 | Very low | 36.3 | Very low | 202 Ų | 202 | 124.1 Ų | 124.1 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -161.8 | 140.3 | 144.4 | -150.1 | 175.3 | -176.3 | -169.6 | -0.1 | 114.4 | D865 | D865-R913 VanDerWaalsContact CG-CB 3.42Å; D865-R913 WeakPolarHBondContact OD1-CB 3.27Å; D865-R913 WeakPolarHBondContact OD2-CB 3.05Å; D865-R913 PolarHBondContact OD2-N 3.4Å | ||
| 914 | G | 33.3 | Very low | 36 | Very low | 42 Ų | 42 | 123.7 Ų | 123.7 | 43% | 0.433 | 74% | 0.742 | S | S | . | * | trans | 130.8 | 43.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | R862 | R862-G914 PolarHBondContact NH1-O 3.41Š| ||
| 915 | M | 37.2 | Very low | 35.7 | Very low | 166 Ų | 166 | 128 Ų | 128 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -59.3 | 179.1 | 162.9 | -85.1 | -177 | 178.5 | 0 | 0 | 114.1 | R862 | R862-M915 PolarHBondContact NH2-O 3.02Š| ||
| 916 | P | 45.8 | Very low | 35 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | cis | -140.3 | -173.6 | -41.9 | 40.1 | -23.6 | 0 | 0 | 0 | 114 | ||||
| 917 | G | 33.9 | Very low | 35 | Very low | 68 Ų | 68 | 128.5 Ų | 128.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | 139 | 147.8 | 152 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 918 | V | 32.1 | Very low | 35.1 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | cis | -157 | 148.2 | -2.9 | 171.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 919 | C | 30.5 | Very low | 35.7 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | 64.8 | 149.4 | 164.3 | -77.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 920 | D | 29.1 | Very low | 35 | Very low | 141 Ų | 141 | 125.2 Ų | 125.2 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | cis | -165.7 | -168.3 | -28.8 | -137.7 | -56.1 | 0 | 0 | 0 | 111.7 | ||||
| 921 | I | 34 | Very low | 35.3 | Very low | 157 Ų | 157 | 127 Ų | 127 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | 89.2 | 136.8 | 168.8 | -47.1 | 173.7 | 0 | 0 | 0 | 115.2 | ||||
| 922 | K | 31.4 | Very low | 35.4 | Very low | 203 Ų | 203 | 126.3 Ų | 126.3 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -114.1 | 146.3 | -179.7 | -69.6 | 178.4 | 177.2 | 175.9 | 0 | 112.6 | ||||
| 923 | G | 30.9 | Very low | 35.3 | Very low | 69 Ų | 69 | 120.8 Ų | 120.8 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | 119.4 | 160.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 924 | I | 29 | Very low | 35.3 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | cis | -157.7 | 138.5 | -7.4 | -114 | 161.9 | 0 | 0 | 0 | 108.8 | ||||
| 925 | F | 30.7 | Very low | 35.5 | Very low | 213 Ų | 213 | 121.2 Ų | 121.2 | 93% | 0.934 | 75% | 0.752 | S | S | * | * | trans | 54.8 | 148.3 | 165.3 | -86.5 | -114.7 | 0 | 0 | 0 | 120.6 | ||||
| 926 | G | 28.8 | Very low | 35.9 | Very low | 67 Ų | 67 | 118.2 Ų | 118.2 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | -167.5 | 6.1 | -173 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 927 | S | 32.4 | Very low | 35.5 | Very low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | 72.2 | 173.7 | 168.7 | 96.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 928 | P | 39.3 | Very low | 35.7 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -127.8 | 162.5 | -130.3 | 31.3 | -8.8 | 0 | 0 | 0 | 117.9 | ||||
| 929 | G | 49.7 | Very low | 35.8 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 73% | 0.732 | S | S | * | * | trans | -97.6 | 171.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 930 | P | 32.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | -108.2 | 139.6 | -175.7 | 37.9 | -30.5 | 0 | 0 | 0 | 116.1 | ||||
| 931 | M | 39.7 | Very low | 36.5 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 85% | 0.847 | 73% | 0.733 | S | S | * | * | trans | 59 | 119.7 | 139 | -161.2 | 173.8 | 74.3 | 0 | 0 | 122.2 | ||||
| 932 | G | 39.1 | Very low | 36.6 | Very low | 33 Ų | 33 | 123.3 Ų | 123.3 | 34% | 0.34 | 74% | 0.737 | S | S | . | * | trans | -131 | -156.5 | 130.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | M587 | M587-G932 WeakPolarHBondContact CE-O 3.47Å; M587-G932 WeakPolarHBondContact CG-O 3.08Å | ||
| 933 | P | 43.8 | Very low | 37.3 | Very low | 38 Ų | 38 | 119.2 Ų | 119.2 | 25% | 0.247 | 73% | 0.732 | C | S | . | * | cis | -110.1 | 178.8 | -24.7 | 41.3 | -31 | 0 | 0 | 0 | 111.3 | V588 F590 | V588-P933 HydrophobicContact CB-CG 4.32Å; V588-P933 WeakPolarHBondContact O-CG 3.38Å; F590-P933 HydrophobicContact CD2-CG 4.38Å; F590-P933 HydrophobicContact CE1-CB 4Å; F590-P933 HydrophobicContact CE1-CG 4.31Å; F590-P933 HydrophobicContact CE2-CB 4.02Å; F590-P933 HydrophobicContact CE2-CG 3.79Å; F590-P933 HydrophobicContact CZ-CB 3.48Å; F590-P933 VanDerWaalsContact CZ-CB 3.48Å; F590-P933 HydrophobicContact CZ-CG 3.76Å | ||
| 934 | L | 37.3 | Very low | 37.5 | Very low | 183 Ų | 183 | 119.8 Ų | 119.8 | 96% | 0.958 | 74% | 0.737 | S | S | * | * | trans | -146.2 | 142.4 | 169.7 | -166.1 | 69.4 | 0 | 0 | 0 | 111.5 | ||||
| 935 | G | 38.1 | Very low | 38.2 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | trans | 109.4 | 89.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 936 | R | 46 | Very low | 38.3 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 39% | 0.385 | 73% | 0.73 | S | S | . | * | trans | -117.8 | 85.9 | -179.7 | -113 | -79.8 | 168.9 | -136.2 | -4.8 | 112.5 | F590 P591 G592 | F590-R936 VanDerWaalsContact C-NE 3.32Å; P591-R936 HydrophobicContact CB-CG 4.24Å; P591-R936 VanDerWaalsContact CD-NH1 3.32Å; P591-R936 HydrophobicContact CG-CG 3.65Å; P591-R936 PolarHBondContact O-NH1 2.76Å; P591-R936 PolarHBondContact O-NH2 2.82Å; G592-R936 PolarHBondContact O-NH1 3.38Å | ||
| 937 | R | 37.5 | Very low | 38.6 | Very low | 249 Ų | 249 | 113.4 Ų | 113.4 | 94% | 0.94 | 73% | 0.726 | S | S | * | * | trans | -159.4 | 131.6 | 173.1 | -167.8 | 177.6 | -68.1 | -165.6 | -0.8 | 107.2 | ||||
| 938 | G | 36.6 | Very low | 39.2 | Very low | 62 Ų | 62 | 115.5 Ų | 115.5 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | cis | 157.9 | 153 | 6.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | P940 | G938-P940 WeakPolarHBondContact O-CD 3.4Š| ||
| 939 | Q | 35.8 | Very low | 39.3 | Very low | 165 Ų | 165 | 115.8 Ų | 115.8 | 77% | 0.771 | 73% | 0.725 | S | S | * | * | trans | -96.9 | 117.5 | 176.3 | -82.8 | -179.9 | -43.5 | 0 | 0 | 110.7 | ||||
| 940 | P | 39.5 | Very low | 38.5 | Very low | 122 Ų | 122 | 115.7 Ų | 115.7 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -116.5 | 97.8 | 172.7 | 25.1 | -3.7 | 0 | 0 | 0 | 111.4 | G938 | G938-P940 WeakPolarHBondContact O-CD 3.4Š| ||
| 941 | G | 33.9 | Very low | 38.4 | Very low | 69 Ų | 69 | 117 Ų | 117 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | 77.5 | 154.7 | 160 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 942 | I | 35.9 | Very low | 38.1 | Very low | 174 Ų | 174 | 116.1 Ų | 116.1 | 89% | 0.892 | 72% | 0.721 | S | S | * | * | trans | -119.6 | 100.1 | 158.4 | -59.1 | 174.5 | 0 | 0 | 0 | 106.7 | ||||
| 943 | P | 46.7 | Very low | 37.7 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -89 | 129 | 176.6 | -9.4 | 28.2 | 0 | 0 | 0 | 112.5 | ||||
| 944 | G | 34.7 | Very low | 37.1 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 66.1 | 114.9 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 945 | V | 43.5 | Very low | 37.3 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | trans | -101.4 | 115.6 | 165.2 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 946 | S | 32.4 | Very low | 37.4 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -173.9 | 140 | 153 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 947 | G | 36.8 | Very low | 37.1 | Very low | 59 Ų | 59 | 123.5 Ų | 123.5 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | cis | -169.2 | -173.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 948 | E | 43.6 | Very low | 37.2 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -114.9 | 100.6 | 167.5 | -76.4 | -171.9 | 142.6 | 0 | 0 | 110.9 | K898 | K898-E948 VanDerWaalsContact NZ-CD 3.28Å; K898-E948 IonicContact NZ-OE1 3.67Å; K898-E948 PolarHBondContact NZ-OE1 3.28Å | ||
| 949 | P | 42.2 | Very low | 37.2 | Very low | 128 Ų | 128 | 117.7 Ų | 117.7 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -88 | 153.9 | 149.5 | -3.3 | 23.7 | 0 | 0 | 0 | 109.5 | ||||
| 950 | G | 32.7 | Very low | 37.3 | Very low | 72 Ų | 72 | 117.4 Ų | 117.4 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -144.1 | -142.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 951 | D | 30.3 | Very low | 37.7 | Very low | 152 Ų | 152 | 117.9 Ų | 117.9 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 78.4 | 122 | 166.4 | -73.3 | -7 | 0 | 0 | 0 | 121.6 | ||||
| 952 | I | 33.2 | Very low | 37.8 | Very low | 153 Ų | 153 | 118 Ų | 118 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 71.9 | 128.4 | 140 | -59 | 164.2 | 0 | 0 | 0 | 119.4 | ||||
| 953 | G | 31.3 | Very low | 38.2 | Very low | 67 Ų | 67 | 117 Ų | 117 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | 159.5 | 95.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 954 | Y | 30.9 | Very low | 37.9 | Very low | 230 Ų | 230 | 118.9 Ų | 118.9 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -2.8 | 148.8 | 155.7 | -56.5 | -91.6 | 0 | 0 | 0 | 121.8 | ||||
| 955 | G | 41.2 | Very low | 38 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 92% | 0.918 | 75% | 0.749 | S | S | * | * | trans | 162.2 | 109.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 956 | G | 39.9 | Very low | 37.8 | Very low | 72 Ų | 72 | 119.4 Ų | 119.4 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 147.8 | 178.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 957 | P | 40.8 | Very low | 38.2 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | cis | -102.9 | -117.8 | -16.8 | 14.8 | 9.4 | 0 | 0 | 0 | 110.5 | ||||
| 958 | L | 38.5 | Very low | 38.5 | Very low | 119 Ų | 119 | 122 Ų | 122 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | cis | -168.7 | 123.6 | -2.5 | -176.1 | 61.3 | 0 | 0 | 0 | 113.8 | R960 | L958-R960 HydrophobicContact CD1-CG 4.02Å; L958-R960 HydrophobicContact CG-CG 4.16Å | ||
| 959 | G | 37.7 | Very low | 37.8 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -173.4 | 109.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 960 | R | 36.8 | Very low | 37.1 | Very low | 159 Ų | 159 | 121.9 Ų | 121.9 | 60% | 0.6 | 75% | 0.753 | S | S | * | * | cis | 74.8 | 147.4 | 34.3 | -63 | -168.8 | 167.1 | -171.7 | 0.4 | 114 | L958 | L958-R960 HydrophobicContact CD1-CG 4.02Å; L958-R960 HydrophobicContact CG-CG 4.16Å | ||
| 961 | P | 47.6 | Very low | 37 | Very low | 133 Ų | 133 | 122 Ų | 122 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | cis | -101 | -172.2 | 12 | 3.3 | 21.1 | 0 | 0 | 0 | 113.8 | ||||
| 962 | G | 37.6 | Very low | 37.9 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | 141.7 | 150.7 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 963 | Q | 42.9 | Very low | 38.5 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | cis | -128.1 | 151.5 | 14.7 | -62.2 | -159.6 | 52.1 | 0 | 0 | 112 | ||||
| 964 | K | 41.2 | Very low | 38.5 | Very low | 157 Ų | 157 | 122.4 Ų | 122.4 | 68% | 0.683 | 77% | 0.767 | S | S | * | * | cis | 73.6 | 133 | 44.7 | 155.7 | -165.9 | 167.8 | -114 | 0 | 112 | ||||
| 965 | G | 36.8 | Very low | 39.1 | Very low | 59 Ų | 59 | 123.5 Ų | 123.5 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | cis | -147.3 | -178.3 | 0.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 966 | D | 38.9 | Very low | 38.8 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | cis | -126.9 | 137 | 7.7 | -68.9 | -54.2 | 0 | 0 | 0 | 111.4 | ||||
| 967 | R | 40.3 | Very low | 38.3 | Very low | 174 Ų | 174 | 126.8 Ų | 126.8 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | 79.5 | 70.1 | 43.5 | -164.5 | -166.1 | -178.9 | 175.8 | 0.5 | 113.6 | ||||
| 968 | G | 43.3 | Very low | 37.8 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | -81.2 | 164.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 969 | L | 29.1 | Very low | 37.8 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 176.5 | 169.1 | 149.8 | -102.9 | 167.9 | 0 | 0 | 0 | 111.3 | ||||
| 970 | S | 28.1 | Very low | 37.8 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 68.6 | 147.2 | 179.4 | 74.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 971 | G | 31.6 | Very low | 37.7 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | -176.5 | 151.5 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 972 | L | 47.9 | Very low | 36.9 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -97.5 | 164.6 | 164.3 | -64.6 | 168.7 | 0 | 0 | 0 | 108.7 | ||||
| 973 | P | 45.1 | Very low | 36.7 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | cis | -125.3 | -173.5 | -9.1 | 40.7 | -25.9 | 0 | 0 | 0 | 112.7 | ||||
| 974 | G | 31.5 | Very low | 36 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -172.7 | 133.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 975 | R | 44.9 | Very low | 35.4 | Very low | 253 Ų | 253 | 138 Ų | 138 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | trans | -133.1 | 80.1 | 179.5 | -164.9 | -170.8 | -165.6 | -142.5 | 7.2 | 112.4 | ||||
| 976 | I | 33.6 | Very low | 35 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | -137.1 | 133.5 | 162.3 | -52.6 | 175.8 | 0 | 0 | 0 | 105.8 | ||||
| 977 | G | 30.5 | Very low | 34.6 | Very low | 54 Ų | 54 | 143.5 Ų | 143.5 | 56% | 0.557 | 81% | 0.814 | S | S | * | * | cis | 162.7 | 120.2 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 978 | I | 30.1 | Very low | 34.4 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 86% | 0.862 | 82% | 0.82 | S | S | * | * | trans | 53.2 | 175.3 | -177.9 | 66.8 | 169.9 | 0 | 0 | 0 | 113.8 | ||||
| 979 | R | 37.6 | Very low | 33.8 | Very low | 230 Ų | 230 | 141.5 Ų | 141.5 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | cis | -145.5 | 118.3 | -0.4 | -170 | 176.7 | -178.8 | 171.6 | -1.3 | 107.8 | ||||
| 980 | G | 39.3 | Very low | 34 | Very low | 72 Ų | 72 | 138.8 Ų | 138.8 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 171.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 981 | P | 33.6 | Very low | 34.5 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 152.5 | 165.9 | 35.5 | -32.1 | 0 | 0 | 0 | 112.9 | ||
| 982 | K | 31.3 | Very low | 34.9 | Very low | 214 Ų | 214 | 139.7 Ų | 139.7 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 159.3 | 160.7 | -55.6 | 167.9 | -178.3 | 175.8 | 0 | 108.7 | ||
| 983 | G | 33.5 | Very low | 34.4 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | cis | -163.5 | -151.9 | 5.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 984 | R | 27.5 | Very low | 34 | Very low | 227 Ų | 227 | 144 Ų | 144 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | cis | -151.6 | 149 | 24.2 | -162.4 | -168.8 | -176.8 | 170.2 | -0.1 | 110.5 | ||||
| 985 | S | 30 | Very low | 34.3 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -65.9 | 171.1 | 161.8 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 986 | G | 27.7 | Very low | 34.3 | Very low | 66 Ų | 66 | 139.1 Ų | 139.1 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -62.6 | 175.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117 | A988 | G986-A988 PolarHBondContact O-N 2.86Š| ||
| 987 | W | 31.1 | Very low | 35 | Very low | 256 Ų | 256 | 137 Ų | 137 | 97% | 0.97 | 81% | 0.81 | S | S | * | * | trans | -70 | 120 | 170.3 | -88.3 | 38.7 | 0 | 0 | 0 | 111.1 | ||||
| 988 | A | 34.6 | Very low | 35.5 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -156.2 | 157.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | G986 | G986-A988 PolarHBondContact O-N 2.86Š| ||
| 989 | A | 31.4 | Very low | 35.8 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | 59.5 | 100.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 990 | S | 33.9 | Very low | 36 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -65.5 | -175.7 | 159.9 | 44.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 991 | V | 38.3 | Very low | 35.9 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 92% | 0.915 | 82% | 0.819 | S | S | * | * | trans | 91.2 | 123.5 | 179.4 | -172.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 992 | G | 39.1 | Very low | 36.6 | Very low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | cis | 179.5 | 173.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 993 | Q | 37 | Very low | 37 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | 75.2 | 103.1 | 169.2 | -55 | -161 | 16.1 | 0 | 0 | 121.5 | ||||
| 994 | K | 37.7 | Very low | 37.3 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | 72.6 | 112.1 | 111.8 | -163.4 | 179.6 | -177 | -178.4 | 0 | 122.2 | |||||
| 995 | G | 38.2 | Very low | 38.3 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | 114.3 | 108.4 | 121.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 996 | N | 43.6 | Very low | 38.9 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -92 | 164 | 172.6 | -53.5 | -38.5 | 0 | 0 | 0 | 112.5 | ||||
| 997 | P | 49.3 | Very low | 39.8 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | -114.7 | 162.4 | 127.8 | -10.5 | 29.7 | 0 | 0 | 0 | 114.8 | |||||
| 998 | G | 40.4 | Very low | 40.8 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -84.3 | -157.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 999 | R | 37.1 | Very low | 41.5 | Very low | 240 Ų | 240 | 132.2 Ų | 132.2 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | cis | -168.3 | 179.4 | 28.4 | -156.8 | -178.2 | -166.5 | -155.3 | 5.7 | 110.3 | ||||
| 1000 | I | 40.7 | Very low | 42 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 86% | 0.862 | 79% | 0.786 | S | S | * | * | trans | 76.2 | 138.8 | 170.9 | -50.3 | 165.5 | 0 | 0 | 0 | 113.7 | ||||
| 1001 | G | 38.8 | Very low | 42.9 | Very low | 65 Ų | 65 | 133 Ų | 133 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | cis | 164.2 | 129.1 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1002 | Q | 47 | Very low | 43 | Very low | 193 Ų | 193 | 132 Ų | 132 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -95.1 | 152.4 | -177.3 | -67.3 | 178.4 | -17.8 | 0 | 0 | 113.1 | ||||
| 1003 | P | 41 | Very low | 43 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | trans | -108.4 | 160.5 | 137.5 | -10.7 | 30.1 | 0 | 0 | 0 | 113.2 | ||||
| 1004 | G | 39.2 | Very low | 43.2 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -101.7 | 175.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1005 | N | 48.1 | Very low | 43.7 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -92.9 | 152.8 | -168.4 | -38.7 | -86.6 | 0 | 0 | 0 | 115.1 | ||||
| 1006 | P | 41.7 | Very low | 43.5 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -85.8 | 156 | 150.7 | -13.2 | 31 | 0 | 0 | 0 | 113.6 | ||||
| 1007 | G | 47.4 | Very low | 43.2 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -86.9 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1008 | P | 51.5 | Low | 42.4 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 56% | 0.558 | 79% | 0.786 | S | S | * | * | trans | -107.1 | 160 | -155.1 | 39.1 | -36.3 | 0 | 0 | 0 | 117 | A211 | A211-P1008 HydrophobicContact CB-CG 3.7Š| ||
| 1009 | Q | 49.3 | Very low | 42.1 | Very low | 201 Ų | 201 | 135 Ų | 135 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -119.3 | 145 | 156.3 | -170.1 | 161.7 | -16.6 | 0 | 0 | 109.7 | ||||
| 1010 | G | 41.8 | Very low | 42 | Very low | 29 Ų | 29 | 132 Ų | 132 | 30% | 0.299 | 78% | 0.78 | S | S | . | * | trans | -119 | 150.5 | -162.4 | 0 | 0 | 0 | 0 | 0 | 116 | R212 P1012 | R212-G1010 PolarHBondContact NH1-O 2.82Å; G1010-P1012 WeakPolarHBondContact O-CD 3.45Å | ||
| 1011 | R | 53.2 | Low | 41.6 | Very low | 202 Ų | 202 | 133.5 Ų | 133.5 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -45.4 | 133.8 | -177.8 | -55.4 | 179.1 | -175.8 | -179.3 | -0 | 114.4 | R212 | R212-R1011 PolarHBondContact NH1-O 3.46Å; R212-R1011 PolarHBondContact NH2-O 2.74Å | ||
| 1012 | P | 41.9 | Very low | 41.4 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | -94.9 | 158.7 | 104.6 | 35.4 | -31.7 | 0 | 0 | 0 | 109.7 | G1010 | G1010-P1012 WeakPolarHBondContact O-CD 3.45Š| |||
| 1013 | G | 37.7 | Very low | 41.1 | Very low | 58 Ų | 58 | 129.9 Ų | 129.9 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | cis | -179.2 | 156 | -5.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | M1015 | G1013-M1015 PolarHBondContact O-N 2.87Š| ||
| 1014 | P | 42.3 | Very low | 40.9 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | trans | -68.4 | 102.3 | -175.1 | 27 | -33.4 | 0 | 0 | 0 | 111.4 | ||||
| 1015 | M | 46.9 | Very low | 40.6 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -60.1 | 130.4 | 161.9 | -172 | -172.1 | -61.4 | 0 | 0 | 108.2 | G1013 | G1013-M1015 PolarHBondContact O-N 2.87Š| ||
| 1016 | G | 34.3 | Very low | 39.9 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | trans | -73.7 | 159.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1017 | R | 36.8 | Very low | 39.6 | Very low | 254 Ų | 254 | 126.3 Ų | 126.3 | 96% | 0.958 | 75% | 0.75 | S | S | * | * | trans | -99.3 | 96.9 | 152.3 | -84.9 | -164.3 | 168.8 | -151.8 | -3.2 | 109.3 | ||||
| 1018 | Q | 34 | Very low | 39.9 | Very low | 198 Ų | 198 | 126.2 Ų | 126.2 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | -82.7 | 145.3 | 154.1 | -176.1 | 178.6 | 6 | 0 | 0 | 107.7 | ||||
| 1019 | G | 33.5 | Very low | 39.5 | Very low | 61 Ų | 61 | 131.2 Ų | 131.2 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | 104.8 | 140 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1020 | L | 34.2 | Very low | 38.9 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 93% | 0.927 | 75% | 0.746 | S | S | * | * | cis | -135.2 | 155.8 | 4.6 | -81.7 | 171.7 | 0 | 0 | 0 | 113.7 | ||||
| 1021 | K | 34.2 | Very low | 38.8 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | trans | -59.2 | 155.9 | 163.3 | -175.4 | -179.6 | 178.7 | -175 | 0 | 109.6 | ||||
| 1022 | G | 34.3 | Very low | 38 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -58.4 | 172.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1023 | S | 40.4 | Very low | 37.8 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | cis | -157.8 | -180 | 23.7 | 55 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1024 | P | 35.9 | Very low | 37.3 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | -126.5 | 151.9 | 102.5 | 1.3 | 19.6 | 0 | 0 | 0 | 114.1 | |||||
| 1025 | G | 32.5 | Very low | 36.9 | Very low | 49 Ų | 49 | 130.1 Ų | 130.1 | 51% | 0.505 | 78% | 0.784 | S | S | . | * | trans | -100.4 | -165.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1026 | I | 34.7 | Very low | 36.4 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | trans | 71.5 | 140.1 | -176.8 | -41.7 | 150.6 | 0 | 0 | 0 | 111.4 | G1028 R1029 | I1026-G1028 VanDerWaalsContact C-N 3.35Å; I1026-R1029 CarbonylContact C-O 3.46Å | ||
| 1027 | S | 35.2 | Very low | 36.6 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | S | Bend | cis | -96.7 | 45.7 | -6.8 | -31.6 | 0 | 0 | 0 | 0 | 110.1 | R1029 | S1027-R1029 VanDerWaalsContact C-N 3.26Å; S1027-R1029 PolarHBondContact N-O 2.83Å; S1027-R1029 PolarHBondContact O-N 2.9Å |
| 1028 | G | 53.7 | Low | 36.3 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 71.9 | -92.4 | -135.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | I1026 L1030 | I1026-G1028 VanDerWaalsContact C-N 3.35Å; G1028-L1030 PolarHBondContact O-N 2.93Å |
| 1029 | R | 43.1 | Very low | 36.9 | Very low | 192 Ų | 192 | 121.5 Ų | 121.5 | 73% | 0.725 | 77% | 0.771 | S | S | * | * | trans | 0.4 | 101.5 | 156.4 | -173.5 | 176.6 | -164.2 | -169.3 | 5.1 | 114.5 | I1026 S1027 | I1026-R1029 CarbonylContact C-O 3.46Å; S1027-R1029 VanDerWaalsContact C-N 3.26Å; S1027-R1029 PolarHBondContact N-O 2.83Å; S1027-R1029 PolarHBondContact O-N 2.9Å | ||
| 1030 | L | 36.2 | Very low | 37.7 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | cis | -151 | 131.5 | 36.7 | -84 | 154.3 | 0 | 0 | 0 | 110.3 | G1028 | G1028-L1030 PolarHBondContact O-N 2.93Š| ||
| 1031 | V | 39 | Very low | 37.6 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | 79 | 132.3 | 87.4 | 167 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1032 | A | 36.6 | Very low | 37.3 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 67 | 150 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1033 | G | 37.6 | Very low | 36.8 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | cis | -167.2 | 158.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1034 | A | 28 | Very low | 36.3 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -120.3 | 157.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1035 | M | 33.3 | Very low | 36 | Very low | 193 Ų | 193 | 123.2 Ų | 123.2 | 95% | 0.951 | 77% | 0.767 | S | S | * | * | trans | 72.6 | 144.2 | 158.8 | -156.6 | 170.2 | 73.1 | 0 | 0 | 117.8 | ||||
| 1036 | G | 36.2 | Very low | 35.7 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 165.6 | 61.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1037 | E | 39.5 | Very low | 35.7 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -74.2 | 124.2 | 170.6 | -76.8 | -156.3 | 141.3 | 0 | 0 | 110.7 | ||||
| 1038 | Q | 30.2 | Very low | 35.6 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -166 | 135.4 | 134.1 | -112.7 | 174.2 | 7.2 | 0 | 0 | 111.8 | ||||
| 1039 | G | 47.8 | Very low | 34.5 | Very low | 61 Ų | 61 | 134.9 Ų | 134.9 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | -83 | 179.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1040 | P | 49.3 | Very low | 34.2 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | cis | -137.7 | 162.6 | 19.8 | 40.5 | -23.9 | 0 | 0 | 0 | 116.1 | ||||
| 1041 | M | 31.8 | Very low | 34.2 | Very low | 193 Ų | 193 | 131 Ų | 131 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | trans | -164.2 | 152.2 | 149.6 | -101.5 | -179.7 | -68.8 | 0 | 0 | 106.6 | ||||
| 1042 | G | 27.4 | Very low | 33.9 | Very low | 58 Ų | 58 | 132.4 Ų | 132.4 | 60% | 0.598 | 79% | 0.787 | S | S | * | * | cis | 138.7 | 104.7 | 1.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1043 | I | 25.5 | Very low | 33.5 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | 54.8 | 162.4 | -177.9 | 58.4 | 173.1 | 0 | 0 | 0 | 114.5 | ||||
| 1044 | Q | 29.7 | Very low | 33.3 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -147.1 | 156.6 | 15.2 | -176 | 178.1 | 14 | 0 | 0 | 110.1 | ||||
| 1045 | G | 27.9 | Very low | 33.4 | Very low | 57 Ų | 57 | 136 Ų | 136 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | trans | -115.3 | 141.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1046 | I | 27.5 | Very low | 33.6 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | -179.7 | 151.1 | 121.2 | 48.7 | 168 | 0 | 0 | 0 | 111.8 | |||||
| 1047 | R | 33.4 | Very low | 33.8 | Very low | 248 Ų | 248 | 135.2 Ų | 135.2 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | 67.9 | 145.6 | 152.6 | -130.8 | 167.6 | -177.7 | 175.5 | -1.7 | 117.2 | ||||
| 1048 | G | 34.9 | Very low | 33.5 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | cis | -163.4 | -178.1 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1049 | E | 30.1 | Very low | 33.8 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -96.3 | 164.7 | -170.5 | -54.8 | -168.5 | 112.1 | 0 | 0 | 116.1 | ||||
| 1050 | K | 36.2 | Very low | 33.1 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 62.7 | 140.6 | 155.2 | -70.1 | 152.4 | -176 | 146.8 | 0 | 117.3 | ||||
| 1051 | G | 36.2 | Very low | 32.9 | Very low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | 173.9 | -177.5 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1052 | I | 32.2 | Very low | 33.3 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | 30.9 | 142.4 | 145.8 | 56.5 | 167.3 | 0 | 0 | 0 | 121.1 | ||||
| 1053 | N | 29.5 | Very low | 33.5 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | cis | -138.2 | -175.1 | -0.9 | -83.6 | -43.7 | 0 | 0 | 0 | 107.1 | ||||
| 1054 | G | 33.7 | Very low | 34.1 | Very low | 63 Ų | 63 | 130.6 Ų | 130.6 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | cis | 178 | -158.5 | 10.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1055 | I | 30.2 | Very low | 34.1 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | cis | -164.9 | -179.2 | -19.8 | 28.1 | 169.8 | 0 | 0 | 0 | 106.5 | ||||
| 1056 | H | 37.1 | Very low | 34.4 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 157.8 | 178.4 | -67.5 | 96.8 | 0 | 0 | 0 | 116.9 | ||||
| 1057 | G | 39.4 | Very low | 34.6 | Very low | 69 Ų | 69 | 126.8 Ų | 126.8 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | -125.6 | 176 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1058 | K | 34 | Very low | 34.4 | Very low | 196 Ų | 196 | 119.6 Ų | 119.6 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | trans | -132.1 | 139.8 | -178.3 | -59 | 173.5 | -176.3 | 171.1 | 0 | 111.4 | ||||
| 1059 | T | 36 | Very low | 34.4 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 95% | 0.951 | 73% | 0.726 | S | S | * | * | trans | -148.3 | 164.5 | 158 | -9.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1060 | G | 34.2 | Very low | 34.7 | Very low | 71 Ų | 71 | 124.6 Ų | 124.6 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | trans | -164.3 | 174.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1061 | K | 43.6 | Very low | 34.6 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 50% | 0.504 | 72% | 0.722 | S | S | . | * | trans | 56.2 | 118 | 168.5 | -67.9 | -166.7 | 177.9 | -171.6 | 0 | 118.8 | T1399 | K1061-T1399 VanDerWaalsContact CE-OG1 3.31Å; K1061-T1399 WeakPolarHBondContact CE-OG1 3.46Å; K1061-T1399 VanDerWaalsContact NZ-N 3.19Å; K1061-T1399 PolarHBondContact NZ-OG1 2.92Å | ||
| 1062 | P | 40 | Very low | 34.3 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | -80.3 | 162.7 | 104.9 | -25.8 | 36.5 | 0 | 0 | 0 | 111.8 | |||||
| 1063 | G | 33.3 | Very low | 34.7 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | cis | 93.3 | 125.3 | 18.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1065 | G1063-P1065 VanDerWaalsContact C-CD 3.4Å; G1063-P1065 WeakPolarHBondContact O-CD 3.22Å | ||
| 1064 | I | 37.7 | Very low | 35 | Very low | 176 Ų | 176 | 119.4 Ų | 119.4 | 90% | 0.903 | 73% | 0.728 | S | S | * | * | trans | -99.7 | 99.4 | 174.6 | -57.5 | 173.6 | 0 | 0 | 0 | 108.9 | ||||
| 1065 | P | 30.1 | Very low | 35.2 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -116.8 | 130.8 | 147.8 | 35.1 | -26.3 | 0 | 0 | 0 | 109.5 | G1063 | G1063-P1065 VanDerWaalsContact C-CD 3.4Å; G1063-P1065 WeakPolarHBondContact O-CD 3.22Å | ||
| 1066 | G | 33.5 | Very low | 35.6 | Very low | 64 Ų | 64 | 130.7 Ų | 130.7 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | cis | -164.7 | -168.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1068 | G1066-Q1068 PolarHBondContact O-N 3.04Š| ||
| 1067 | I | 31.1 | Very low | 36 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -67.7 | 115.2 | 176.7 | -74.6 | 161.4 | 0 | 0 | 0 | 109.5 | F152 | F152-I1067 HydrophobicContact CD1-CG2 3.9Å; F152-I1067 HydrophobicContact CE1-CB 4.47Å; F152-I1067 HydrophobicContact CE1-CD1 4.13Å; F152-I1067 HydrophobicContact CE1-CG1 4.15Å; F152-I1067 HydrophobicContact CE1-CG2 3.49Å; F152-I1067 VanDerWaalsContact CE1-CG2 3.49Å; F152-I1067 HydrophobicContact CZ-CG2 4.43Å | ||
| 1068 | Q | 29.1 | Very low | 35.8 | Very low | 97 Ų | 97 | 130 Ų | 130 | 45% | 0.453 | 74% | 0.741 | S | S | . | * | trans | 69.5 | 138.1 | 148 | -74.1 | 175.4 | -11.9 | 0 | 0 | 121.7 | G1066 | G1066-Q1068 PolarHBondContact O-N 3.04Š| ||
| 1069 | I | 35.7 | Very low | 36.2 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | trans | 72.9 | 133.1 | 138.1 | -69.5 | 167.9 | 0 | 0 | 0 | 116.3 | ||||
| 1070 | K | 35.5 | Very low | 36.4 | Very low | 171 Ų | 171 | 122.7 Ų | 122.7 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | cis | -136.5 | 152.4 | 3.3 | -126.9 | 154.2 | -168.5 | 173.1 | 0 | 107.7 | ||||
| 1071 | G | 34.5 | Very low | 36.4 | Very low | 62 Ų | 62 | 125.3 Ų | 125.3 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | 89.4 | 130.3 | 72.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1072 | F | 30.7 | Very low | 36.3 | Very low | 181 Ų | 181 | 125.6 Ų | 125.6 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | cis | -151.1 | -160.3 | 27.7 | -71.9 | -94.4 | 0 | 0 | 0 | 110.8 | ||||
| 1073 | P | 40.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | -125.3 | 152.1 | -72.8 | 36.8 | -22.4 | 0 | 0 | 0 | 114.2 | |||||
| 1074 | G | 34.9 | Very low | 36.7 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -137.1 | 36.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1075 | R | 39.2 | Very low | 37.3 | Very low | 201 Ų | 201 | 123.1 Ų | 123.1 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | 60.9 | 166.6 | 176.5 | -67.7 | -167.4 | 173.7 | -140.7 | -4.9 | 116.6 | Q835 | Q835-R1075 PolarHBondContact O-NH2 2.87Š| ||
| 1076 | R | 37.7 | Very low | 37.8 | Very low | 243 Ų | 243 | 121.2 Ų | 121.2 | 92% | 0.917 | 75% | 0.749 | S | S | * | * | trans | -106.5 | 142.4 | -159.6 | -176 | -174.7 | -77.1 | -173.1 | -4.3 | 111.7 | ||||
| 1077 | G | 46.4 | Very low | 38 | Very low | 62 Ų | 62 | 125.7 Ų | 125.7 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | trans | -86.5 | -167.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1078 | L | 34.7 | Very low | 38.4 | Very low | 172 Ų | 172 | 124.6 Ų | 124.6 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -57.6 | 143.5 | 174.9 | -71.7 | 164 | 0 | 0 | 0 | 111.7 | G1080 | L1078-G1080 PolarHBondContact O-N 3.48Š|
| 1079 | P | 42.8 | Very low | 39.3 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -63.6 | 123.5 | 173.9 | -20.6 | 33 | 0 | 0 | 0 | 111.8 | ||||
| 1080 | G | 40.8 | Very low | 39.1 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | -107 | 143 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1078 | L1078-G1080 PolarHBondContact O-N 3.48Š| ||
| 1081 | S | 32.5 | Very low | 39.2 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | 41.1 | 119.3 | 158.1 | 62.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1082 | S | 41.3 | Very low | 39.4 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -122.2 | 105.5 | 144.6 | 54.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1083 | G | 43 | Very low | 39.6 | Very low | 62 Ų | 62 | 126.7 Ų | 126.7 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | -70.6 | 175.8 | 157 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1084 | P | 39.9 | Very low | 39.3 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -61.6 | 162.1 | -179.1 | 25.2 | -33.8 | 0 | 0 | 0 | 113.2 | ||
| 1085 | P | 51.1 | Low | 39.5 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 150.6 | -162.9 | -23.8 | 35 | 0 | 0 | 0 | 115.5 | ||
| 1086 | G | 40.3 | Very low | 39.2 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 130.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||
| 1087 | D | 37.9 | Very low | 39 | Very low | 158 Ų | 158 | 126 Ų | 126 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 143.9 | -171.3 | -74.9 | -55.9 | 0 | 0 | 0 | 113.7 | G1089 | D1087-G1089 PolarHBondContact O-N 2.91Š|
| 1088 | S | 39.7 | Very low | 38.7 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 122 | 177.3 | 55 | 0 | 0 | 0 | 0 | 111.2 | R1090 | S1088-R1090 PolarHBondContact O-N 2.03Š|
| 1089 | G | 46.9 | Very low | 39 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D1087 | D1087-G1089 PolarHBondContact O-N 2.91Š|
| 1090 | R | 31.8 | Very low | 38.8 | Very low | 231 Ų | 231 | 126.1 Ų | 126.1 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -131 | 158.6 | 169 | -99.6 | -154.2 | 162 | -158.2 | -4 | 110.4 | S1088 | S1088-R1090 PolarHBondContact O-N 2.03Š| ||
| 1091 | P | 36.9 | Very low | 38.8 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -112.2 | 162.4 | -130.1 | 39.6 | -34.7 | 0 | 0 | 0 | 114.4 | ||||
| 1092 | G | 38.8 | Very low | 38.9 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -176.6 | 91.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1093 | L | 35.6 | Very low | 38.5 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -97.3 | 158.4 | 164.8 | -106.3 | 170.6 | 0 | 0 | 0 | 108.6 | ||||
| 1094 | E | 33.7 | Very low | 38.4 | Very low | 200 Ų | 200 | 132.5 Ų | 132.5 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | 72.6 | 169 | 166.3 | -156.2 | 152.3 | -128.2 | 0 | 0 | 116.6 | ||||
| 1095 | G | 38.9 | Very low | 37.9 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 100.8 | 34.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1096 | S | 32.5 | Very low | 37.1 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -76.4 | 171.9 | 173.3 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1097 | R | 33.9 | Very low | 36.8 | Very low | 240 Ų | 240 | 138 Ų | 138 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | 113.8 | 142.6 | 141.6 | -161.2 | 177.4 | -170.9 | 167.9 | 1.9 | 117.7 | A1099 | R1097-A1099 HydrophobicContact CG-CB 4.08Š| ||
| 1098 | G | 39.6 | Very low | 36.6 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 140.1 | 46.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1099 | A | 40.8 | Very low | 36.2 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | 69.5 | 104.1 | 62.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1097 | R1097-A1099 HydrophobicContact CG-CB 4.08Š| |||
| 1100 | K | 38.5 | Very low | 36.1 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -148.4 | 125.1 | 157.4 | -172.1 | 170.5 | -175.9 | 178.7 | 0 | 105.8 | ||||
| 1101 | G | 40.4 | Very low | 36.3 | Very low | 50 Ų | 50 | 139.5 Ų | 139.5 | 52% | 0.515 | 81% | 0.814 | S | S | . | * | cis | 109.3 | 125.6 | 17 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1102 | D | 34.6 | Very low | 36.7 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | cis | -142.1 | -159.1 | 6.7 | -56 | -59.1 | 0 | 0 | 0 | 108 | ||||
| 1103 | R | 34.7 | Very low | 36.8 | Very low | 233 Ų | 233 | 139.9 Ų | 139.9 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | cis | -159.9 | 135.2 | -6.5 | -144.6 | 159.3 | 177.1 | 172.1 | -3.1 | 105.2 | ||||
| 1104 | G | 40.3 | Very low | 36.5 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -171.3 | 99.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1105 | F | 29.1 | Very low | 36.6 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -93.1 | 140.3 | 176.7 | -90.8 | -102.4 | 0 | 0 | 0 | 111.9 | ||||
| 1106 | L | 33.4 | Very low | 36.5 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 46.6 | 112.6 | 133.3 | -157.5 | 76 | 0 | 0 | 0 | 120.1 | ||||
| 1107 | G | 34.8 | Very low | 37.5 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 165.4 | 79.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1108 | R | 33.7 | Very low | 37.9 | Very low | 227 Ų | 227 | 129.9 Ų | 129.9 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | 77.3 | 115.5 | 60.3 | -159.7 | -174.6 | -159 | -124.7 | 6.2 | 112.4 | |||||
| 1109 | M | 31.5 | Very low | 37.6 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 89% | 0.892 | 76% | 0.762 | S | S | * | * | trans | 79 | 153.1 | 169.6 | -146.7 | 155.7 | 67.5 | 0 | 0 | 116.8 | ||||
| 1110 | G | 45.3 | Very low | 37.4 | Very low | 60 Ų | 60 | 134 Ų | 134 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | trans | -94 | -159.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1111 | P | 35.6 | Very low | 37.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | cis | -128.7 | -153.2 | 26.5 | 41.7 | -24.7 | 0 | 0 | 0 | 114.1 | ||||
| 1112 | K | 44.4 | Very low | 37.8 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 61% | 0.613 | 78% | 0.78 | S | S | * | * | trans | -75.4 | 135.2 | -177 | 174.6 | -175.5 | 174.4 | -69.7 | 0 | 112.7 | D1114 | K1112-D1114 WeakPolarHBondContact CE-OD1 3.08Å; K1112-D1114 IonicContact NZ-OD1 2.82Å; K1112-D1114 PolarHBondContact NZ-OD1 2.96Å; K1112-D1114 IonicContact NZ-OD2 2.69Å; K1112-D1114 PolarHBondContact NZ-OD2 3.22Å | ||
| 1113 | G | 41.2 | Very low | 37.7 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -148.1 | 125.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1114 | D | 28.9 | Very low | 38 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | trans | -88.3 | 171.1 | -167.3 | -59 | -65.5 | 0 | 0 | 0 | 115.6 | K1112 | K1112-D1114 WeakPolarHBondContact CE-OD1 3.08Å; K1112-D1114 IonicContact NZ-OD1 2.82Å; K1112-D1114 PolarHBondContact NZ-OD1 2.96Å; K1112-D1114 IonicContact NZ-OD2 2.69Å; K1112-D1114 PolarHBondContact NZ-OD2 3.22Å | ||
| 1115 | I | 36.3 | Very low | 38.2 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 70 | 144.6 | 155.1 | -64 | 152.3 | 0 | 0 | 0 | 115.4 | ||||
| 1116 | G | 36.8 | Very low | 38.4 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 179.7 | -162.2 | 10.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1117 | P | 53.5 | Low | 38.8 | Very low | 111 Ų | 111 | 125 Ų | 125 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -99.2 | 170 | -166 | 41 | -37.9 | 0 | 0 | 0 | 114.4 | ||||
| 1118 | P | 42.2 | Very low | 39.3 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | -137.7 | 162.6 | 94.2 | 38.3 | -27.4 | 0 | 0 | 0 | 114.4 | |||||
| 1119 | G | 34.5 | Very low | 39.2 | Very low | 52 Ų | 52 | 117.9 Ų | 117.9 | 54% | 0.536 | 76% | 0.76 | S | S | . | * | cis | 150.9 | 102.4 | -14.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1120 | F | 36.5 | Very low | 39.1 | Very low | 199 Ų | 199 | 114.1 Ų | 114.1 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | trans | 68.4 | 168.9 | 157.1 | -55.7 | -72 | 0 | 0 | 0 | 116.6 | ||||
| 1121 | P | 43.7 | Very low | 39 | Very low | 133 Ų | 133 | 114.1 Ų | 114.1 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | cis | -119.6 | -178.8 | 1.9 | 42.1 | -28.2 | 0 | 0 | 0 | 115 | ||||
| 1122 | G | 42.8 | Very low | 38.7 | Very low | 77 Ų | 77 | 111.7 Ų | 111.7 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 149.2 | 82.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1123 | K | 31.5 | Very low | 38.6 | Very low | 187 Ų | 187 | 111 Ų | 111 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -97.3 | 171.8 | 167.8 | -36.4 | 168.8 | -166.6 | 164.8 | 0 | 107.8 | ||||
| 1124 | D | 42.5 | Very low | 38.5 | Very low | 144 Ų | 144 | 110.1 Ų | 110.1 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | cis | -140.8 | -178.6 | 8.7 | -71.5 | -75.7 | 0 | 0 | 0 | 107.7 | ||||
| 1125 | G | 44.9 | Very low | 38.9 | Very low | 57 Ų | 57 | 116.6 Ų | 116.6 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | cis | -162.1 | 156.6 | -1.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1126 | I | 32.1 | Very low | 38.9 | Very low | 159 Ų | 159 | 114.2 Ų | 114.2 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | 58.2 | 124.4 | 67.3 | -56.3 | 173.2 | 0 | 0 | 0 | 110.5 | |||||
| 1127 | P | 41.5 | Very low | 38.6 | Very low | 130 Ų | 130 | 114.3 Ų | 114.3 | 84% | 0.844 | 74% | 0.736 | S | S | * | * | cis | -130.7 | -167.2 | 28.3 | 34.2 | -12.9 | 0 | 0 | 0 | 115.4 | ||||
| 1128 | G | 46.3 | Very low | 38.3 | Very low | 82 Ų | 82 | 114.7 Ų | 114.7 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | 132.4 | 9.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1129 | G | 31.1 | Very low | 38.3 | Very low | 68 Ų | 68 | 114.6 Ų | 114.6 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -89.5 | 170.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1130 | S | 29 | Very low | 38.2 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 83.4 | 134.9 | 174.5 | -43 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1131 | G | 44.8 | Very low | 38.1 | Very low | 61 Ų | 61 | 116.7 Ų | 116.7 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | -167.1 | 59.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1132 | N | 27.9 | Very low | 37.8 | Very low | 84 Ų | 84 | 122.3 Ų | 122.3 | 45% | 0.449 | 76% | 0.76 | S | S | . | * | trans | -91.4 | 145.8 | -147.7 | -66.9 | -13.9 | 0 | 0 | 0 | 117.5 | Y360 V361 G1134 | Y360-N1132 WeakPolarHBondContact CB-OD1 3.03Å; Y360-N1132 PolarHBondContact O-OD1 3.07Å; V361-N1132 HydrophobicContact CG1-CB 4.2Å; V361-N1132 PolarHBondContact N-OD1 2.89Å; V361-N1132 VanDerWaalsContact N-OD1 3.12Å; V361-N1132 WeakPolarHBondContact O-CA 3.46Å; N1132-G1134 PolarHBondContact O-N 3.41Å | ||
| 1133 | K | 43.4 | Very low | 37.6 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | trans | 31.2 | 54 | 146 | -152.2 | 127.9 | -176 | 157.4 | 0 | 118.6 | V361 H362 R1135 | V361-K1133 HydrophobicContact CG1-CB 3.7Å; V361-K1133 HydrophobicContact CG1-CD 3.98Å; V361-K1133 HydrophobicContact CG1-CG 4.43Å; V361-K1133 PolarHBondContact O-N 2.76Å; H362-K1133 HydrophobicContact CB-CB 4.44Å; H362-K1133 VanDerWaalsContact CE1-CE 3.43Å; H362-K1133 WeakPolarHBondContact CE1-CE 3.29Å; H362-K1133 WeakPolarHBondContact NE2-CD 3.46Å; H362-K1133 VanDerWaalsContact NE2-CE 3.33Å; H362-K1133 WeakPolarHBondContact NE2-CE 3.45Å; H362-K1133 PolarHBondContact NE2-NZ 3.01Å; K1133-R1135 PolarHBondContact O-N 2.86Å | ||
| 1134 | G | 39.1 | Very low | 37.6 | Very low | 55 Ų | 55 | 120.3 Ų | 120.3 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | trans | -76.7 | 111.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113 | C363 N1132 | C363-G1134 PolarHBondContact SG-O 3.11Å; N1132-G1134 PolarHBondContact O-N 3.41Å | ||
| 1135 | R | 36.8 | Very low | 37.7 | Very low | 246 Ų | 246 | 121.7 Ų | 121.7 | 93% | 0.928 | 76% | 0.764 | S | S | * | * | trans | -99.9 | 102.6 | 174.3 | 174.1 | -159.8 | -174.8 | -169.1 | 3.2 | 109.3 | K1133 | K1133-R1135 PolarHBondContact O-N 2.86Š| ||
| 1136 | S | 35.8 | Very low | 37.5 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -159.1 | 161.6 | 167.5 | -105.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1137 | G | 31.6 | Very low | 37.6 | Very low | 68 Ų | 68 | 120.3 Ų | 120.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -100.5 | 174.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1138 | S | 46.8 | Very low | 37.4 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -51.6 | 149.5 | 171.5 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1139 | P | 41.2 | Very low | 37 | Very low | 133 Ų | 133 | 123 Ų | 123 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | -144.4 | 162.4 | 88.4 | 38.9 | -24.7 | 0 | 0 | 0 | 115.9 | |||||
| 1140 | G | 33.5 | Very low | 37.1 | Very low | 77 Ų | 77 | 128 Ų | 128 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 144.6 | 110.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1141 | F | 33.2 | Very low | 37.6 | Very low | 217 Ų | 217 | 130.8 Ų | 130.8 | 95% | 0.952 | 77% | 0.77 | S | S | * | * | trans | -111 | 153.5 | 172.4 | -76.1 | -103.6 | 0 | 0 | 0 | 110.5 | ||||
| 1142 | R | 38.9 | Very low | 37.3 | Very low | 251 Ų | 251 | 129.8 Ų | 129.8 | 95% | 0.947 | 76% | 0.76 | S | S | * | * | 175.7 | 141.9 | 128.8 | -172.1 | 170.8 | -167.4 | 178.9 | 3.5 | 112.1 | |||||
| 1143 | G | 37 | Very low | 37.7 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 118.1 | 108 | 155.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1144 | D | 32.8 | Very low | 37.6 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -103.1 | 158.5 | 175.4 | -50.5 | -96.4 | 0 | 0 | 0 | 110.7 | ||||
| 1145 | D | 44.2 | Very low | 37.5 | Very low | 172 Ų | 172 | 128 Ų | 128 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | trans | 176.4 | 150.6 | 131.5 | -99.6 | -26.8 | 0 | 0 | 0 | 115.1 | ||||
| 1146 | G | 40.6 | Very low | 37.5 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 91.2 | 125.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1147 | A | 34 | Very low | 38 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | trans | -151 | 146.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1148 | K | 38.2 | Very low | 38.1 | Very low | 211 Ų | 211 | 121.4 Ų | 121.4 | 92% | 0.917 | 74% | 0.738 | S | S | * | * | trans | -171 | 157.4 | 173 | -157.8 | 169.5 | -174.9 | 177.3 | 0 | 110.8 | ||||
| 1149 | G | 36.8 | Very low | 37.8 | Very low | 58 Ų | 58 | 121.5 Ų | 121.5 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | cis | 157.3 | 107.7 | -18 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1150 | E | 32.9 | Very low | 37.4 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | trans | 74.2 | 165 | 163.8 | -51.7 | -161.6 | 153.7 | 0 | 0 | 118 | ||||
| 1151 | R | 40.2 | Very low | 37.5 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | cis | -158.2 | 174.4 | 26.5 | -145.4 | -166.3 | -88.8 | 163.1 | -1 | 114.5 | E384 V385 | E384-R1151 WeakPolarHBondContact O-CD 3.46Å; E384-R1151 PolarHBondContact O-NH1 3.19Å; V385-R1151 WeakPolarHBondContact O-CB 3.24Å | ||
| 1152 | G | 38 | Very low | 37.6 | Very low | 40 Ų | 40 | 122.1 Ų | 122.1 | 41% | 0.412 | 72% | 0.718 | S | S | . | * | trans | -73 | -157 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | E384 V385 | E384-G1152 WeakPolarHBondContact CA-O 3.48Å; V385-G1152 PolarHBondContact N-O 3.2Å | ||
| 1153 | L | 37.9 | Very low | 37.5 | Very low | 93 Ų | 93 | 117 Ų | 117 | 49% | 0.487 | 71% | 0.706 | S | S | . | * | cis | -88.7 | -155.1 | 17 | -108.4 | 167.5 | 0 | 0 | 0 | 114.8 | G383 E384 | G383-L1153 VanDerWaalsContact N-CD2 3.28Å; E384-L1153 HydrophobicContact CB-CB 4.33Å; E384-L1153 HydrophobicContact CB-CD1 3.98Å; E384-L1153 HydrophobicContact CB-CG 3.85Å; E384-L1153 HydrophobicContact CG-CB 3.96Å; E384-L1153 HydrophobicContact CG-CD1 3.87Å; E384-L1153 HydrophobicContact CG-CG 3.93Å | ||
| 1154 | A | 40.9 | Very low | 37.4 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | cis | -156.3 | 167.6 | 15.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1155 | G | 36 | Very low | 37.7 | Very low | 43 Ų | 43 | 116.5 Ų | 116.5 | 44% | 0.443 | 69% | 0.687 | S | S | . | * | trans | 147.2 | 135.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | L381 | L381-G1155 WeakPolarHBondContact CD2-O 3.26Å; L381-G1155 WeakPolarHBondContact CG-O 3.5Å | ||
| 1156 | D | 37.5 | Very low | 37.6 | Very low | 161 Ų | 161 | 111.1 Ų | 111.1 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | trans | -78.1 | 159.4 | -166.3 | -61.5 | -55.8 | 0 | 0 | 0 | 117 | ||||
| 1157 | P | 45.3 | Very low | 37.2 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | trans | -84.9 | 158 | -170.7 | -7.5 | 26 | 0 | 0 | 0 | 116.2 | L381 | L381-P1157 HydrophobicContact CD1-CB 3.84Å; L381-P1157 HydrophobicContact CD1-CG 3.9Å; L381-P1157 HydrophobicContact CD2-CG 4Å | ||
| 1158 | G | 34.8 | Very low | 37.3 | Very low | 40 Ų | 40 | 123.1 Ų | 123.1 | 41% | 0.412 | 68% | 0.678 | S | S | . | * | trans | -139.4 | 153.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | K379 | K379-G1158 VanDerWaalsContact CE-O 3.24Å; K379-G1158 WeakPolarHBondContact CE-O 3.49Å; K379-G1158 PolarHBondContact NZ-O 3.05Å | ||
| 1159 | P | 40 | Very low | 37.3 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | -60.2 | 167.4 | -137.6 | 13.9 | -29.9 | 0 | 0 | 0 | 119.8 | K379 | K379-P1159 PolarHBondContact NZ-O 3.25Š| ||
| 1160 | E | 33.8 | Very low | 37.1 | Very low | 179 Ų | 179 | 123.6 Ų | 123.6 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | trans | -75.3 | -173.9 | -171.8 | -49.4 | 176.5 | 101.3 | 0 | 0 | 114.2 | ||||
| 1161 | P | 35 | Very low | 37.3 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | cis | -128.7 | 155.1 | -27.4 | 15.2 | 7.6 | 0 | 0 | 0 | 114.7 | ||||
| 1162 | Q | 35.3 | Very low | 37 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | trans | 62.8 | 156.9 | 138.1 | -64.5 | 168.3 | 13.5 | 0 | 0 | 119.9 | ||||
| 1163 | M | 35.8 | Very low | 36.6 | Very low | 143 Ų | 143 | 128 Ų | 128 | 70% | 0.704 | 70% | 0.702 | S | S | * | * | cis | -151.7 | 133 | -10.9 | -108.2 | 162 | 71.8 | 0 | 0 | 107.2 | ||||
| 1164 | L | 36.4 | Very low | 36.2 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | 73.1 | 132 | 77.7 | -89.7 | 167.3 | 0 | 0 | 0 | 117 | |||||
| 1165 | D | 38.8 | Very low | 35.8 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 39% | 0.385 | 72% | 0.716 | S | S | . | * | trans | 178.9 | 166.5 | 140.3 | -121.8 | 64.8 | 0 | 0 | 0 | 111.5 | P430 G431 | P430-D1165 VanDerWaalsContact CA-CB 3.48Å; P430-D1165 VanDerWaalsContact CA-CG 3.42Å; P430-D1165 HydrophobicContact CB-CB 3.59Å; G431-D1165 PolarHBondContact N-OD1 2.91Å; G431-D1165 PolarHBondContact N-OD2 3.36Å | ||
| 1166 | G | 41.4 | Very low | 35.6 | Very low | 59 Ų | 59 | 134.5 Ų | 134.5 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | cis | 162 | 117.3 | -14.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1167 | R | 33.1 | Very low | 35.8 | Very low | 249 Ų | 249 | 133.1 Ų | 133.1 | 94% | 0.94 | 73% | 0.734 | S | S | * | * | trans | -154.9 | 139.7 | 161.6 | -77.5 | -165.4 | -179.9 | -173 | 0.4 | 105.8 | ||||
| 1168 | Q | 35.5 | Very low | 35.5 | Very low | 190 Ų | 190 | 131.5 Ų | 131.5 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -157 | 137.1 | 8.2 | 165 | -177.9 | -8.5 | 0 | 0 | 107.7 | ||
| 1169 | G | 38.5 | Very low | 35.2 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 157.5 | 129.8 | -11.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1170 | R | 33.3 | Very low | 35.3 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -142.3 | 93.5 | 168.8 | -143.2 | -177.3 | -160.9 | -148.4 | 6.8 | 112.7 | ||||
| 1171 | K | 37.2 | Very low | 35.4 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | trans | 18.1 | 119.7 | 150.8 | -73.9 | -169.7 | 174.4 | -169.7 | 0 | 119 | ||||
| 1172 | G | 33.8 | Very low | 35.4 | Very low | 57 Ų | 57 | 137.2 Ų | 137.2 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | trans | -67.5 | -178.5 | 138.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1173 | F | 28.3 | Very low | 35.2 | Very low | 202 Ų | 202 | 132.9 Ų | 132.9 | 89% | 0.886 | 75% | 0.746 | S | S | * | * | cis | -139.5 | 166.8 | 15.5 | -76.4 | -99.2 | 0 | 0 | 0 | 108 | ||||
| 1174 | T | 30.8 | Very low | 35.3 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | -167 | 144.9 | 75 | 31.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1175 | G | 31.8 | Very low | 35 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | -83.7 | -163.6 | -161.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1176 | I | 32.2 | Very low | 34.7 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | -129.3 | 108.8 | 165.9 | -54.8 | 177.1 | 0 | 0 | 0 | 107.6 | ||||
| 1177 | P | 41.7 | Very low | 34.4 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -97.2 | 104.7 | 168.4 | 6.9 | 13.4 | 0 | 0 | 0 | 110.6 | ||||
| 1178 | G | 37.7 | Very low | 34.4 | Very low | 67 Ų | 67 | 125.4 Ų | 125.4 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | 77.5 | 163.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1179 | S | 29.5 | Very low | 34.5 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -161.1 | 121.3 | 173 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1180 | Y | 41.4 | Very low | 34.3 | Very low | 244 Ų | 244 | 124.7 Ų | 124.7 | 96% | 0.957 | 73% | 0.728 | S | S | * | * | trans | -167.1 | 132.8 | 151.1 | -87.8 | -53.2 | 0 | 0 | 0 | 111.1 | ||||
| 1181 | G | 35.8 | Very low | 34.2 | Very low | 66 Ų | 66 | 123.8 Ų | 123.8 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | trans | 80.2 | 128.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1182 | L | 34.6 | Very low | 34.4 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | cis | -135 | -144.6 | -4.7 | -64.9 | 94.2 | 0 | 0 | 0 | 108.5 | ||||
| 1183 | S | 32.4 | Very low | 34.6 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 54% | 0.538 | 74% | 0.735 | S | S | . | * | cis | -160.6 | 153.8 | 12.2 | -96.8 | 0 | 0 | 0 | 0 | 113.4 | D678 | D678-S1183 WeakPolarHBondContact OD1-CA 3.43Å; D678-S1183 WeakPolarHBondContact OD2-CB 3.07Å; D678-S1183 PolarHBondContact OD2-OG 3.09Å | ||
| 1184 | G | 37.1 | Very low | 35.2 | Very low | 43 Ų | 43 | 115.1 Ų | 115.1 | 44% | 0.443 | 73% | 0.729 | S | S | . | * | trans | 119.6 | 111 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | L677 D678 | L677-G1184 CarbonylContact C-O 2.96Å; L677-G1184 WeakPolarHBondContact CB-O 3.02Å; L677-G1184 CarbonylContact O-C 3.39Å; L677-G1184 VanDerWaalsContact O-C 3.22Å; D678-G1184 VanDerWaalsContact N-C 3.3Å; D678-G1184 PolarHBondContact OD1-N 2.93Å; D678-G1184 VanDerWaalsContact OD1-N 3.12Å | ||
| 1185 | L | 29.6 | Very low | 35.8 | Very low | 94 Ų | 94 | 114.9 Ų | 114.9 | 49% | 0.492 | 73% | 0.729 | S | S | . | * | trans | -81.2 | 159.4 | 160.7 | -75.1 | 173.3 | 0 | 0 | 0 | 106.4 | L677 D678 | L677-L1185 WeakPolarHBondContact O-CA 3.48Å; L677-L1185 WeakPolarHBondContact O-CB 3.43Å; L677-L1185 WeakPolarHBondContact O-CD2 3.36Å; L677-L1185 WeakPolarHBondContact O-CG 3.4Å; L677-L1185 PolarHBondContact O-N 3.45Å; D678-L1185 VanDerWaalsContact C-CB 3.45Å; D678-L1185 VanDerWaalsContact C-N 3.31Å; D678-L1185 WeakPolarHBondContact O-CA 2.97Å; D678-L1185 WeakPolarHBondContact O-CB 3.48Å; D678-L1185 WeakPolarHBondContact O-CG 3.36Å; D678-L1185 PolarHBondContact O-N 3.4Å | ||
| 1186 | I | 34 | Very low | 36.1 | Very low | 149 Ų | 149 | 114.6 Ų | 114.6 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | cis | -138 | 141.1 | -1.8 | -132.4 | 152.1 | 0 | 0 | 0 | 104.2 | ||||
| 1187 | G | 34.9 | Very low | 36.4 | Very low | 61 Ų | 61 | 114.5 Ų | 114.5 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | 126.6 | 174.5 | 61.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1188 | D | 33.4 | Very low | 36.7 | Very low | 160 Ų | 160 | 114 Ų | 114 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | 64.6 | 101.9 | 164.4 | -71.3 | 6.2 | 0 | 0 | 0 | 122.4 | ||||
| 1189 | K | 35.7 | Very low | 36.9 | Very low | 187 Ų | 187 | 113.9 Ų | 113.9 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | 96.7 | 149.4 | 124.4 | -136 | 163.1 | -169.4 | 166.4 | 0 | 119.7 | |||||
| 1190 | G | 36.1 | Very low | 37.5 | Very low | 55 Ų | 55 | 116.8 Ų | 116.8 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | trans | -77.1 | -172.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1191 | F | 30.5 | Very low | 37.5 | Very low | 192 Ų | 192 | 112.7 Ų | 112.7 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | cis | -144.1 | -174.8 | 22 | -54.5 | -84.6 | 0 | 0 | 0 | 109.7 | ||||
| 1192 | S | 40.3 | Very low | 37.8 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | cis | -155.9 | -174.4 | 17.6 | 62.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1193 | G | 39.7 | Very low | 38 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 140.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1194 | A | 39.6 | Very low | 38.8 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 161 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1195 | P | 43.3 | Very low | 39.3 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 145.9 | -161.4 | -27.1 | 35.7 | 0 | 0 | 0 | 114.6 | ||
| 1196 | G | 38.8 | Very low | 40.1 | Very low | 67 Ų | 67 | 117.4 Ų | 117.4 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 147.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1197 | L | 39.2 | Very low | 40.4 | Very low | 162 Ų | 162 | 118.6 Ų | 118.6 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 135.8 | 167.2 | -69.9 | 167.1 | 0 | 0 | 0 | 108.2 | G1199 | L1197-G1199 PolarHBondContact O-N 2.83Š|
| 1198 | P | 46.7 | Very low | 40.8 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 121.4 | 160.7 | -21.3 | 32.6 | 0 | 0 | 0 | 106.4 | D1200 | P1198-D1200 PolarHBondContact O-N 3.48Š|
| 1199 | G | 43.3 | Very low | 41.3 | Very low | 65 Ų | 65 | 117.6 Ų | 117.6 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132 | -176.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L1197 D1201 | L1197-G1199 PolarHBondContact O-N 2.83Å; G1199-D1201 PolarHBondContact O-N 2.98Å |
| 1200 | D | 40.5 | Very low | 41.9 | Very low | 163 Ų | 163 | 113.7 Ų | 113.7 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | -44.7 | 115.8 | 179.5 | -72.3 | -52.1 | 0 | 0 | 0 | 109 | P1198 G1202 | P1198-D1200 PolarHBondContact O-N 3.48Å; D1200-G1202 VanDerWaalsContact O-CA 3.3Å; D1200-G1202 WeakPolarHBondContact O-CA 3.02Å; D1200-G1202 PolarHBondContact O-N 3.22Å | ||
| 1201 | D | 41.3 | Very low | 42.2 | Very low | 158 Ų | 158 | 114.3 Ų | 114.3 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -48.3 | 106.8 | -168.8 | -94.7 | -46.8 | 0 | 0 | 0 | 109.7 | G1199 L1203 | G1199-D1201 PolarHBondContact O-N 2.98Å; D1201-L1203 PolarHBondContact O-N 2.72Å | ||
| 1202 | G | 42.3 | Very low | 42.8 | Very low | 69 Ų | 69 | 111.3 Ų | 111.3 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -55.9 | 105.4 | -154.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1200 P1204 | D1200-G1202 VanDerWaalsContact O-CA 3.3Å; D1200-G1202 WeakPolarHBondContact O-CA 3.02Å; D1200-G1202 PolarHBondContact O-N 3.22Å; G1202-P1204 WeakPolarHBondContact O-CA 3.43Å | ||
| 1203 | L | 39.2 | Very low | 43.2 | Very low | 160 Ų | 160 | 111.9 Ų | 111.9 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -24.2 | 103 | -165.9 | -81.1 | 174.3 | 0 | 0 | 0 | 111.4 | D1201 G1205 | D1201-L1203 PolarHBondContact O-N 2.72Å; L1203-G1205 WeakPolarHBondContact O-CA 3.46Å; L1203-G1205 PolarHBondContact O-N 3.25Å |
| 1204 | P | 49.2 | Very low | 43.5 | Very low | 113 Ų | 113 | 111.3 Ų | 111.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.1 | 105.3 | -159.9 | -36.3 | 35.6 | 0 | 0 | 0 | 112.4 | G1202 P1206 | G1202-P1204 WeakPolarHBondContact O-CA 3.43Å; P1204-P1206 WeakPolarHBondContact O-CA 3.29Å; P1204-P1206 VanDerWaalsContact O-N 3.09Å |
| 1205 | G | 47 | Very low | 43.4 | Very low | 59 Ų | 59 | 116.6 Ų | 116.6 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | -44.9 | 115.2 | -156.4 | 0 | 0 | 0 | 0 | 0 | 111 | L1203 M1207 | L1203-G1205 WeakPolarHBondContact O-CA 3.46Å; L1203-G1205 PolarHBondContact O-N 3.25Å; G1205-M1207 WeakPolarHBondContact O-CA 2.92Å; G1205-M1207 PolarHBondContact O-N 3.46Å | ||
| 1206 | P | 46.3 | Very low | 43.3 | Very low | 117 Ų | 117 | 120 Ų | 120 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -51.9 | 108.7 | -147.1 | 15.9 | -32 | 0 | 0 | 0 | 110.6 | P1204 G1208 | P1204-P1206 WeakPolarHBondContact O-CA 3.29Å; P1204-P1206 VanDerWaalsContact O-N 3.09Å; P1206-G1208 WeakPolarHBondContact O-CA 3.24Å; P1206-G1208 PolarHBondContact O-N 3.47Å | ||
| 1207 | M | 41.9 | Very low | 43.7 | Very low | 173 Ų | 173 | 119.8 Ų | 119.8 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -31.5 | 104 | -158.6 | -176.7 | -172.5 | -65.6 | 0 | 0 | 111.2 | G1205 I1209 | G1205-M1207 WeakPolarHBondContact O-CA 2.92Å; G1205-M1207 PolarHBondContact O-N 3.46Å; M1207-I1209 PolarHBondContact O-N 3.09Å; M1207-I1209 VanDerWaalsContact O-N 3.07Å | ||
| 1208 | G | 42.7 | Very low | 44 | Very low | 65 Ų | 65 | 120 Ų | 120 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | -45.6 | 116.8 | -160.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1206 P1210 | P1206-G1208 WeakPolarHBondContact O-CA 3.24Å; P1206-G1208 PolarHBondContact O-N 3.47Å; G1208-P1210 WeakPolarHBondContact O-CD 3.2Å | ||
| 1209 | I | 43.3 | Very low | 44.2 | Very low | 136 Ų | 136 | 120 Ų | 120 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | trans | -40.2 | 115.2 | -168.5 | -57.6 | 173.1 | 0 | 0 | 0 | 108.6 | M1207 G1211 | M1207-I1209 PolarHBondContact O-N 3.09Å; M1207-I1209 VanDerWaalsContact O-N 3.07Å; I1209-G1211 WeakPolarHBondContact O-CA 3.43Å; I1209-G1211 PolarHBondContact O-N 2.73Å | ||
| 1210 | P | 48 | Very low | 44.4 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | -51 | 110 | -178.8 | -29.9 | 36 | 0 | 0 | 0 | 108.5 | G1208 N1212 | G1208-P1210 WeakPolarHBondContact O-CD 3.2Å; P1210-N1212 PolarHBondContact O-N 3.03Å; P1210-N1212 VanDerWaalsContact O-N 3.14Å | ||
| 1211 | G | 43.6 | Very low | 44.3 | Very low | 68 Ų | 68 | 119.8 Ų | 119.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -53.2 | 122.9 | -154.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1209 | I1209-G1211 WeakPolarHBondContact O-CA 3.43Å; I1209-G1211 PolarHBondContact O-N 2.73Å | ||
| 1212 | N | 41.6 | Very low | 44.6 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | -36.6 | 118.5 | -175.7 | -73.3 | -8.9 | 0 | 0 | 0 | 109.4 | P1210 G1214 | P1210-N1212 PolarHBondContact O-N 3.03Å; P1210-N1212 VanDerWaalsContact O-N 3.14Å; N1212-G1214 WeakPolarHBondContact O-CA 3.48Å; N1212-G1214 PolarHBondContact O-N 3.23Å | ||
| 1213 | P | 49.9 | Very low | 44.6 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -48.5 | 112.8 | 178.5 | -29.5 | 35.5 | 0 | 0 | 0 | 108.1 | F1215 | P1213-F1215 PolarHBondContact O-N 2.89Š| ||
| 1214 | G | 45.2 | Very low | 44.6 | Very low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -54.2 | 135 | -159.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N1212 K1216 | N1212-G1214 WeakPolarHBondContact O-CA 3.48Å; N1212-G1214 PolarHBondContact O-N 3.23Å; G1214-K1216 PolarHBondContact O-N 3.31Å | ||
| 1215 | F | 38.8 | Very low | 44.4 | Very low | 203 Ų | 203 | 119.3 Ų | 119.3 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -46.6 | 117.7 | 169.1 | -74.3 | -77.8 | 0 | 0 | 0 | 106.9 | P1213 G1217 | P1213-F1215 PolarHBondContact O-N 2.89Å; F1215-G1217 PolarHBondContact O-N 2.93Å | ||
| 1216 | K | 40.7 | Very low | 44 | Very low | 197 Ų | 197 | 121.8 Ų | 121.8 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -49.6 | 115.2 | 173.2 | -92.6 | -174 | 176 | 176.8 | 0 | 105.4 | G1214 L1218 | G1214-K1216 PolarHBondContact O-N 3.31Å; K1216-L1218 PolarHBondContact O-N 2.93Å | ||
| 1217 | G | 47.1 | Very low | 44.1 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 137.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | F1215 P1219 | F1215-G1217 PolarHBondContact O-N 2.93Å; G1217-P1219 WeakPolarHBondContact O-CD 3.46Å; G1217-P1219 VanDerWaalsContact O-N 3.17Å |
| 1218 | L | 45.2 | Very low | 44.3 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 125.2 | 156.3 | -71 | 168.7 | 0 | 0 | 0 | 105.6 | K1216 G1220 | K1216-L1218 PolarHBondContact O-N 2.93Å; L1218-G1220 PolarHBondContact O-N 3.27Å |
| 1219 | P | 51.2 | Low | 44.1 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 117.3 | -179.2 | -27.7 | 35.6 | 0 | 0 | 0 | 108.8 | G1217 D1221 | G1217-P1219 WeakPolarHBondContact O-CD 3.46Å; G1217-P1219 VanDerWaalsContact O-N 3.17Å; P1219-D1221 PolarHBondContact O-N 2.93Å |
| 1220 | G | 46.6 | Very low | 44 | Very low | 63 Ų | 63 | 130.8 Ų | 130.8 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 136.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1218 P1222 | L1218-G1220 PolarHBondContact O-N 3.27Å; G1220-P1222 WeakPolarHBondContact O-CD 3.41Å |
| 1221 | D | 39.8 | Very low | 43.7 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -51.1 | 113.3 | -175.8 | -59.9 | -69.3 | 0 | 0 | 0 | 110.6 | P1219 G1223 | P1219-D1221 PolarHBondContact O-N 2.93Å; D1221-G1223 PolarHBondContact O-N 2.04Å; D1221-G1223 VanDerWaalsContact O-N 3.14Å | ||
| 1222 | P | 47.6 | Very low | 43.4 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -65 | 119.1 | -179.6 | -22.6 | 35 | 0 | 0 | 0 | 109.5 | G1220 | G1220-P1222 WeakPolarHBondContact O-CD 3.41Š| ||
| 1223 | G | 41.8 | Very low | 43.4 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -60.8 | 158.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1221 P1225 | D1221-G1223 PolarHBondContact O-N 2.04Å; D1221-G1223 VanDerWaalsContact O-N 3.14Å; G1223-P1225 WeakPolarHBondContact O-CD 3.4Å | ||
| 1224 | L | 38.3 | Very low | 42.9 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -82.9 | 111 | 175.5 | -77 | 142.7 | 0 | 0 | 0 | 111.5 | ||||
| 1225 | P | 46.4 | Very low | 42.8 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -104.5 | 160.9 | 138.3 | -14.5 | 31.3 | 0 | 0 | 0 | 112.2 | G1223 | G1223-P1225 WeakPolarHBondContact O-CD 3.4Š| ||
| 1226 | S | 37.4 | Very low | 42.7 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -115.4 | 158.1 | -165.1 | -46.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1227 | R | 48.1 | Very low | 42.7 | Very low | 215 Ų | 215 | 129.6 Ų | 129.6 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | 81.2 | 113.6 | 155.1 | -73.1 | -173.1 | 166.4 | -174 | -3.8 | 120.8 | ||||
| 1228 | F | 46.6 | Very low | 42.3 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | 55.9 | 134.9 | 142.6 | -53.6 | -60.7 | 0 | 0 | 0 | 120.6 | ||||
| 1229 | G | 38.8 | Very low | 41.8 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | cis | 179.2 | 143.7 | -6.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1230 | K | 41.3 | Very low | 41.4 | Very low | 206 Ų | 206 | 132 Ų | 132 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | -145.3 | 163.5 | 179 | -80.3 | -169.8 | 177.6 | 177.7 | 0 | 111.4 | ||||
| 1231 | P | 42 | Very low | 40.8 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.4 | -168.7 | -24.6 | 35.9 | 0 | 0 | 0 | 114.8 | E1233 | P1231-E1233 PolarHBondContact O-N 3Š|
| 1232 | G | 37.7 | Very low | 40.7 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 119 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1233 | E | 40.5 | Very low | 40.4 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 62% | 0.621 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 149.6 | 156.7 | -63.3 | -163.1 | 111.2 | 0 | 0 | 109.9 | R512 P1231 G1235 | R512-E1233 WeakPolarHBondContact CD-OE1 3.39Å; R512-E1233 IonicContact CZ-OE1 2.9Å; R512-E1233 IonicContact NE-OE1 3.54Å; R512-E1233 IonicContact NH1-OE1 3.33Å; R512-E1233 PolarHBondContact NH1-OE1 3.36Å; R512-E1233 IonicContact NH1-OE2 2.82Å; R512-E1233 PolarHBondContact NH1-OE2 3.16Å; P1231-E1233 PolarHBondContact O-N 3Å; E1233-G1235 PolarHBondContact O-N 2.8Å |
| 1234 | V | 40 | Very low | 40.1 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 125.4 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | D1236 | V1234-D1236 PolarHBondContact O-N 3.29Š|
| 1235 | G | 41.6 | Very low | 40.4 | Very low | 62 Ų | 62 | 134.1 Ų | 134.1 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 120.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E1233 R1237 | E1233-G1235 PolarHBondContact O-N 2.8Å; G1235-R1237 PolarHBondContact O-N 3.46Å |
| 1236 | D | 37.2 | Very low | 39.7 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -56.7 | 112.1 | 163.8 | -82 | -58 | 0 | 0 | 0 | 107.3 | R512 V1234 G1238 | R512-D1236 IonicContact NH2-OD2 3.7Å; R512-D1236 PolarHBondContact NH2-OD2 3.05Å; V1234-D1236 PolarHBondContact O-N 3.29Å; D1236-G1238 PolarHBondContact O-N 3.19Å | ||
| 1237 | R | 41.4 | Very low | 39.7 | Very low | 230 Ų | 230 | 134.6 Ų | 134.6 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | -25.6 | 95.8 | -165.4 | -173.8 | -176.6 | -169.3 | 172.7 | 4.3 | 113.4 | G1235 | G1235-R1237 PolarHBondContact O-N 3.46Š| ||
| 1238 | G | 37.8 | Very low | 39.1 | Very low | 55 Ų | 55 | 130 Ų | 130 | 57% | 0.567 | 75% | 0.745 | S | S | * | * | trans | -55.3 | 158.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D1236 L1240 | D1236-G1238 PolarHBondContact O-N 3.19Å; G1238-L1240 PolarHBondContact O-N 3.3Å | ||
| 1239 | E | 35.8 | Very low | 38.4 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 94% | 0.935 | 74% | 0.741 | S | S | * | * | trans | -54.8 | 109.7 | 164.7 | -70.1 | -163.9 | 138 | 0 | 0 | 107.4 | G1241 | E1239-G1241 PolarHBondContact O-N 3.28Š| ||
| 1240 | L | 42.2 | Very low | 38.4 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -65 | 97.6 | 171.6 | -176 | 77.8 | 0 | 0 | 0 | 104.9 | G1238 R1242 | G1238-L1240 PolarHBondContact O-N 3.3Å; L1240-R1242 PolarHBondContact O-N 2.88Å | ||
| 1241 | G | 33.5 | Very low | 38.2 | Very low | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | trans | -46.7 | 134.2 | 173 | 0 | 0 | 0 | 0 | 0 | 108 | E1239 | E1239-G1241 PolarHBondContact O-N 3.28Š| ||
| 1242 | R | 37.5 | Very low | 37.9 | Very low | 203 Ų | 203 | 127.7 Ų | 127.7 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | trans | -38.6 | 125.6 | -173.9 | -70.5 | 176.5 | 171.1 | -174.2 | -3.9 | 110.2 | L1240 G1244 | L1240-R1242 PolarHBondContact O-N 2.88Å; R1242-G1244 PolarHBondContact O-N 3.47Å | ||
| 1243 | P | 41.7 | Very low | 37.9 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -45.1 | 122.6 | 158.4 | -27.7 | 36 | 0 | 0 | 0 | 108 | ||||
| 1244 | G | 35.3 | Very low | 37.8 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -61.9 | 152.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1242 Q1246 | R1242-G1244 PolarHBondContact O-N 3.47Å; G1244-Q1246 PolarHBondContact O-N 3.47Å | ||
| 1245 | F | 45.5 | Very low | 37.6 | Very low | 194 Ų | 194 | 131.3 Ų | 131.3 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | trans | -69.9 | 98.2 | 171.6 | -91.4 | -89.4 | 0 | 0 | 0 | 110.9 | ||||
| 1246 | Q | 31.7 | Very low | 37.2 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -128.9 | 129 | 146.6 | -96.9 | 179 | -14.6 | 0 | 0 | 105.9 | G1244 | G1244-Q1246 PolarHBondContact O-N 3.47Š| ||
| 1247 | G | 37.2 | Very low | 37.2 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | cis | 77.2 | 152.6 | 9.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1248 | P | 36.5 | Very low | 36.9 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | cis | -117.1 | -166.1 | 14.1 | 32.7 | -13.8 | 0 | 0 | 0 | 113.3 | ||||
| 1249 | F | 32.2 | Very low | 36.8 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | trans | 20.8 | 135.4 | 148.6 | -83.7 | -109.1 | 0 | 0 | 0 | 119.5 | Q1251 | F1249-Q1251 HydrophobicContact CD1-CG 3.93Å; F1249-Q1251 HydrophobicContact CE1-CG 4.14Å | ||
| 1250 | G | 37.6 | Very low | 36.7 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | cis | 119.9 | 170.2 | 45.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1251 | Q | 36.4 | Very low | 36.2 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | cis | -149.8 | 149.6 | 12.7 | -128.8 | 179.9 | 99 | 0 | 0 | 107.1 | F1249 | F1249-Q1251 HydrophobicContact CD1-CG 3.93Å; F1249-Q1251 HydrophobicContact CE1-CG 4.14Å | ||
| 1252 | K | 36.1 | Very low | 36.2 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | 60.7 | 139.9 | 107.1 | 180 | -168.1 | -179.7 | -170.5 | 0 | 115.7 | |||||
| 1253 | G | 37.5 | Very low | 35.8 | Very low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | cis | -157.6 | -149.3 | 4.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1254 | N | 38.3 | Very low | 35.5 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | cis | -141.4 | 153.4 | 12.9 | -81.2 | -32.9 | 0 | 0 | 0 | 109 | ||||
| 1255 | F | 37.1 | Very low | 35.6 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | 31 | 117.6 | 94.3 | -75.6 | -96.8 | 0 | 0 | 0 | 113.9 | |||||
| 1256 | G | 32.8 | Very low | 35 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | cis | 132.9 | 146.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1257 | E | 36.3 | Very low | 34.9 | Very low | 207 Ų | 207 | 126.1 Ų | 126.1 | 97% | 0.967 | 75% | 0.753 | S | S | * | * | trans | -153.1 | 175.6 | 169.6 | -137.6 | 171.8 | -148.2 | 0 | 0 | 112.5 | ||||
| 1258 | K | 35.3 | Very low | 35.1 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -139.5 | 137.5 | -161.6 | 178 | -161.8 | 172 | -161.6 | 0 | 110.9 | D1260 | K1258-D1260 VanDerWaalsContact CE-OD2 3.24Å; K1258-D1260 WeakPolarHBondContact CE-OD2 3.31Å; K1258-D1260 IonicContact NZ-OD2 2.73Å | ||
| 1259 | G | 37.5 | Very low | 34.9 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -154.4 | 132.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1260 | D | 31.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | trans | -102.7 | 149.8 | -177.7 | -73.5 | -71 | 0 | 0 | 0 | 111.9 | K1258 | K1258-D1260 VanDerWaalsContact CE-OD2 3.24Å; K1258-D1260 WeakPolarHBondContact CE-OD2 3.31Å; K1258-D1260 IonicContact NZ-OD2 2.73Å | ||
| 1261 | Q | 33.5 | Very low | 35.1 | Very low | 198 Ų | 198 | 130.1 Ų | 130.1 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | 31.2 | 107 | 161.9 | -61.2 | -172.5 | -2.2 | 0 | 0 | 119.8 | ||||
| 1262 | G | 31.7 | Very low | 35.1 | Very low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -179.1 | 109.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1263 | L | 30.6 | Very low | 35 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | 58.4 | 154.8 | 151.8 | -65 | 162.8 | 0 | 0 | 0 | 120.6 | ||||
| 1264 | T | 35.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | trans | -66.4 | 152.6 | 155.9 | 44.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1265 | P | 35.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | -148.5 | 172.9 | 37.4 | 42.5 | -22.3 | 0 | 0 | 0 | 118.9 | ||||
| 1266 | S | 34.1 | Very low | 34.8 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 25.2 | 126.7 | 141.1 | -50.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1267 | C | 28.6 | Very low | 35.1 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | trans | 70.2 | 137.2 | 130.4 | -66 | 0 | 0 | 0 | 0 | 122.2 | I1269 | C1267-I1269 HydrophobicContact CB-CG1 4.07Å; C1267-I1269 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1268 | P | 42.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -79.7 | 128 | 112 | 32.6 | -29.6 | 0 | 0 | 0 | 109.1 | |||||
| 1269 | I | 32.9 | Very low | 35.9 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | cis | 67.3 | 120.8 | 32.7 | -46.3 | 174.8 | 0 | 0 | 0 | 109.4 | C1267 | C1267-I1269 HydrophobicContact CB-CG1 4.07Å; C1267-I1269 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1270 | G | 35 | Very low | 36 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | cis | -88 | 138.5 | 20.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1271 | Q | 37.1 | Very low | 36.4 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -75 | -177.9 | 144.3 | -58.3 | 172.3 | 5.8 | 0 | 0 | 108 | ||||
| 1272 | P | 38 | Very low | 36.5 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | cis | -145.4 | -144.5 | 17.6 | 44.1 | -21.1 | 0 | 0 | 0 | 113.7 | ||||
| 1273 | G | 34.3 | Very low | 36.8 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 108.5 | 66.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1274 | R | 34.8 | Very low | 37.3 | Very low | 244 Ų | 244 | 129.8 Ų | 129.8 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -46 | 143.3 | 174 | -67.7 | 175.1 | 165.6 | -167.2 | -3.5 | 116.8 | ||||
| 1275 | R | 35.2 | Very low | 37.8 | Very low | 223 Ų | 223 | 127.5 Ų | 127.5 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | 62.1 | 113.6 | 132.5 | -177.5 | -172 | -92.7 | -156 | -7.4 | 119.1 | ||||
| 1276 | G | 38.3 | Very low | 37.9 | Very low | 82 Ų | 82 | 127.8 Ų | 127.8 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -134.9 | 114.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1277 | Q | 39.2 | Very low | 38.3 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -114.2 | 165 | 163.3 | -80.5 | 180 | -38.6 | 0 | 0 | 107.3 | ||||
| 1278 | P | 43.1 | Very low | 38.7 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | -124 | 172.3 | -0.5 | 27.8 | -6.5 | 0 | 0 | 0 | 114.4 | ||||
| 1279 | G | 43.6 | Very low | 38.3 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -80 | -165.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1280 | N | 40.7 | Very low | 38.4 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -140 | 140.4 | 159.6 | -104.5 | -31.8 | 0 | 0 | 0 | 111.3 | ||||
| 1281 | T | 39.9 | Very low | 38.5 | Very low | 138 Ų | 138 | 134 Ų | 134 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -41.3 | 154.6 | 169.5 | -38.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1282 | G | 36.4 | Very low | 38.7 | Very low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | cis | 146.7 | 132.4 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1283 | L | 37.7 | Very low | 39 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | 66.5 | 163.7 | 173.4 | -57 | 174.1 | 0 | 0 | 0 | 117.4 | ||||
| 1284 | P | 41.6 | Very low | 39.2 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | cis | -111.7 | -162.4 | -14.4 | 38.6 | -24.4 | 0 | 0 | 0 | 111.9 | ||||
| 1285 | G | 45.7 | Very low | 39.4 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -147 | 178.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1286 | S | 37 | Very low | 40.2 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -156.8 | 146.3 | 178.2 | 56 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1287 | D | 41.9 | Very low | 40.1 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -74.4 | 159.8 | 173.8 | -62.3 | -60 | 0 | 0 | 0 | 112.8 | ||||
| 1288 | G | 37.1 | Very low | 40 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 167.4 | 131.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1289 | E | 35.6 | Very low | 39.9 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -99.1 | 169 | -170.8 | -62 | -166.2 | 146.4 | 0 | 0 | 116 | ||||
| 1290 | K | 35.1 | Very low | 39.7 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | 83.4 | 148.9 | 140.9 | -94.2 | -173.8 | -172.3 | 86.2 | 0 | 120.2 | ||||
| 1291 | G | 36 | Very low | 39.7 | Very low | 60 Ų | 60 | 134.1 Ų | 134.1 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | trans | 105.1 | 87.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1292 | N | 41.4 | Very low | 39.6 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | 59.6 | 136.2 | 80.3 | -61.9 | -7.8 | 0 | 0 | 0 | 114.1 | |||||
| 1293 | R | 44.3 | Very low | 39.7 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -154.7 | 112.5 | 146.5 | -131.8 | 172.4 | -173 | 158.6 | 7.2 | 115.5 | ||||
| 1294 | G | 38 | Very low | 39.7 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -80.7 | 116.9 | 135.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1295 | L | 39.5 | Very low | 39.4 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | 27.4 | 155.7 | 141 | -66.9 | 173.6 | 0 | 0 | 0 | 122.5 | ||||
| 1296 | P | 51.1 | Low | 39.1 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | -137.8 | 174.3 | -127.5 | 44.5 | -29.3 | 0 | 0 | 0 | 118.4 | |||||
| 1297 | G | 37 | Very low | 39.2 | Very low | 63 Ų | 63 | 143.2 Ų | 143.2 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | trans | 159.7 | 147.3 | 157 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1298 | Q | 37.3 | Very low | 38.9 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | cis | -146.1 | -165.1 | -15.2 | -71.4 | -162.9 | 4.2 | 0 | 0 | 109.9 | ||||
| 1299 | R | 40.5 | Very low | 39.2 | Very low | 243 Ų | 243 | 142.2 Ų | 142.2 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -48.6 | 155.3 | 174.2 | -62.3 | 162.6 | 164 | 161.7 | -8.7 | 113.3 | ||||
| 1300 | G | 39.2 | Very low | 39.4 | Very low | 68 Ų | 68 | 143.3 Ų | 143.3 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | 114.2 | 136.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1301 | L | 41.5 | Very low | 39.8 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | 179.7 | 172.3 | 148.6 | -97.3 | 163.7 | 0 | 0 | 0 | 115.3 | ||||
| 1302 | K | 38.9 | Very low | 39.8 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -72.3 | 170.2 | -164.8 | -57.6 | 165.3 | -180 | 176.3 | 0 | 115.5 | ||||
| 1303 | G | 37.7 | Very low | 39.9 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | 163.7 | -168.1 | 6.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1304 | V | 37.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | cis | -165.1 | 161.3 | -5.1 | -163.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1305 | R | 34.8 | Very low | 39.9 | Very low | 252 Ų | 252 | 138.1 Ų | 138.1 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | trans | 73.1 | 144.7 | 170.7 | -77.6 | 178.7 | 165.6 | 169.4 | -5.2 | 118.6 | ||||
| 1306 | G | 39.5 | Very low | 39.7 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | 168 | 156.3 | -14.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1307 | L | 38.9 | Very low | 39.2 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | 85.4 | 105 | 162.3 | -54.9 | 174.4 | 0 | 0 | 0 | 123.5 | ||||
| 1308 | T | 35.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | 29.9 | 160 | 131.2 | 58.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1309 | P | 45.1 | Very low | 39.8 | Very low | 112 Ų | 112 | 143 Ų | 143 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -142.7 | 175.4 | -40.5 | 42.5 | -24.8 | 0 | 0 | 0 | 116.5 | ||||
| 1310 | E | 38.6 | Very low | 39.9 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 63.1 | 162.5 | 163.6 | -76 | -162.3 | 170.2 | 0 | 0 | 120.9 | ||||
| 1311 | P | 44.8 | Very low | 39.9 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 66% | 0.656 | 81% | 0.806 | S | S | * | * | cis | -135.9 | -169.9 | -36.7 | 38.8 | -20.8 | 0 | 0 | 0 | 114.9 | ||||
| 1312 | L | 34.3 | Very low | 40 | Very low | 166 Ų | 166 | 135 Ų | 135 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | 83.8 | 156.3 | 163.5 | -66.2 | 173.4 | 0 | 0 | 0 | 120 | ||||
| 1313 | P | 44.1 | Very low | 40.2 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -131.2 | 166.2 | -142.4 | 43.8 | -29.6 | 0 | 0 | 0 | 118.3 | ||||
| 1314 | G | 36.6 | Very low | 40.1 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 170.8 | 130.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1315 | P | 46.4 | Very low | 40.4 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -96.2 | 168.3 | -168.5 | 37 | -36.9 | 0 | 0 | 0 | 115.9 | ||||
| 1316 | K | 34.7 | Very low | 40.8 | Very low | 216 Ų | 216 | 124.8 Ų | 124.8 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | 89.8 | 109.2 | 169 | -166.2 | -175.7 | -179.8 | -175.5 | 0 | 116 | ||||
| 1317 | G | 40.8 | Very low | 40.6 | Very low | 64 Ų | 64 | 129.9 Ų | 129.9 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -170.7 | 40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | M1319 | G1317-M1319 PolarHBondContact O-N 2.91Š| ||
| 1318 | D | 40.2 | Very low | 41 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 97% | 0.968 | 80% | 0.796 | S | S | * | * | trans | -76.3 | 71.6 | 166.2 | -78.4 | 10.8 | 0 | 0 | 0 | 110 | ||||
| 1319 | M | 45.5 | Very low | 41.5 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -148.9 | 99.6 | 170.8 | -167.9 | -175.3 | 80.2 | 0 | 0 | 109.9 | G1317 | G1317-M1319 PolarHBondContact O-N 2.91Š| ||
| 1320 | G | 44 | Very low | 41.1 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -106.7 | 107 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1321 | P | 39.5 | Very low | 41.4 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | -98.4 | -161.7 | -175.4 | 38.9 | -35.6 | 0 | 0 | 0 | 113.1 | ||||
| 1322 | V | 43 | Very low | 41.5 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | 86.5 | 134.1 | 175.9 | -169.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1323 | G | 43.5 | Very low | 41.7 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | cis | -131.8 | 144.6 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1324 | L | 35.7 | Very low | 41.9 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 73.8 | 91.6 | 63 | -70.9 | 171.7 | 0 | 0 | 0 | 113.1 | |||||
| 1325 | D | 42.5 | Very low | 42.3 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | -173.5 | 135.4 | 110.5 | -88 | -20.2 | 0 | 0 | 0 | 109.7 | |||||
| 1326 | G | 43.9 | Very low | 41.8 | Very low | 63 Ų | 63 | 132.1 Ų | 132.1 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | cis | -173.2 | -174.4 | -6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1327 | L | 35.8 | Very low | 42.9 | Very low | 176 Ų | 176 | 128 Ų | 128 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | 45.6 | 92.5 | 156.3 | -57.1 | 174.1 | 0 | 0 | 0 | 119.5 | ||||
| 1328 | Q | 46.6 | Very low | 43.1 | Very low | 203 Ų | 203 | 128 Ų | 128 | 95% | 0.949 | 80% | 0.798 | S | S | * | * | -171 | 152.9 | 102.3 | -167.5 | 157 | -3.5 | 0 | 0 | 110.4 | |||||
| 1329 | G | 45.7 | Very low | 43.5 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -76.1 | 154.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | F1331 | G1329-F1331 PolarHBondContact O-N 3.09Å; G1329-F1331 VanDerWaalsContact O-N 3.09Å | ||
| 1330 | S | 36.3 | Very low | 43.4 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -72.6 | 94.1 | 178.5 | 56 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1331 | F | 46 | Very low | 43.4 | Very low | 211 Ų | 211 | 123.9 Ų | 123.9 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -67.5 | 148.2 | 139.8 | -89.7 | -110.3 | 0 | 0 | 0 | 108.6 | G1329 | G1329-F1331 PolarHBondContact O-N 3.09Å; G1329-F1331 VanDerWaalsContact O-N 3.09Å | ||
| 1332 | G | 46.7 | Very low | 43.6 | Very low | 57 Ų | 57 | 126.7 Ų | 126.7 | 59% | 0.588 | 81% | 0.809 | S | S | * | * | cis | 162.3 | 61.7 | -2.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1334 | G1332-P1334 WeakPolarHBondContact O-CD 3.03Š| ||
| 1333 | D | 37.4 | Very low | 43.4 | Very low | 162 Ų | 162 | 130 Ų | 130 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -60.6 | 123 | 166 | -76 | -36.4 | 0 | 0 | 0 | 108.9 | G1335 | D1333-G1335 PolarHBondContact O-N 3.21Š|
| 1334 | P | 50.1 | Low | 43.2 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | trans | -58.7 | 111.2 | -174.1 | -28.8 | 37.2 | 0 | 0 | 0 | 113 | G1332 | G1332-P1334 WeakPolarHBondContact O-CD 3.03Š| ||
| 1335 | G | 43.5 | Very low | 43.6 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 152.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1333 | D1333-G1335 PolarHBondContact O-N 3.21Š|
| 1336 | F | 36.3 | Very low | 44.1 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.5 | 174.9 | -64.6 | -90.3 | 0 | 0 | 0 | 111.7 | G1338 | F1336-G1338 PolarHBondContact O-N 3.07Š|
| 1337 | P | 57.2 | Low | 43.7 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 128.3 | 163.2 | -25.4 | 36 | 0 | 0 | 0 | 110.6 | ||
| 1338 | G | 46.2 | Very low | 44.5 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 159.5 | -157.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | F1336 S1340 | F1336-G1338 PolarHBondContact O-N 3.07Å; G1338-S1340 PolarHBondContact O-N 3.4Å |
| 1339 | P | 48.6 | Very low | 44.1 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 120.7 | 176.6 | 31.2 | -33.4 | 0 | 0 | 0 | 111.9 | ||
| 1340 | S | 42.7 | Very low | 43.9 | Very low | 128 Ų | 128 | 124 Ų | 124 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -156.5 | 127.7 | 165.4 | -80.6 | 0 | 0 | 0 | 0 | 109.8 | G1338 | G1338-S1340 PolarHBondContact O-N 3.4Š| ||
| 1341 | G | 43.5 | Very low | 44.4 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | cis | -156.9 | 167 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1342 | V | 45 | Very low | 44.7 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 95% | 0.945 | 80% | 0.801 | S | S | * | * | trans | -87.2 | 113.4 | -176.4 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1343 | K | 37.7 | Very low | 44.3 | Very low | 205 Ų | 205 | 121.9 Ų | 121.9 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | trans | -148 | 95.7 | 168.7 | -164.5 | 171.9 | -175.6 | 176.8 | 0 | 113.9 | ||||
| 1344 | G | 40.1 | Very low | 44.7 | Very low | 63 Ų | 63 | 123.2 Ų | 123.2 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | trans | 80.7 | 132.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | P1346 | G1344-P1346 WeakPolarHBondContact O-CD 3.11Š| ||
| 1345 | Q | 45 | Very low | 44.6 | Very low | 200 Ų | 200 | 126.7 Ų | 126.7 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | trans | -97 | 105.8 | 139.8 | -72.9 | -179.1 | -12.1 | 0 | 0 | 108 | ||||
| 1346 | P | 51.4 | Low | 44.4 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 160.6 | 152.9 | -20.3 | 35.1 | 0 | 0 | 0 | 111.1 | G1344 | G1344-P1346 WeakPolarHBondContact O-CD 3.11Š| ||
| 1347 | G | 36.9 | Very low | 44.7 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -81.3 | -173.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1348 | P | 51.3 | Low | 43.8 | Very low | 129 Ų | 129 | 126 Ų | 126 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -90.8 | 179.1 | -172.3 | 38.5 | -37.9 | 0 | 0 | 0 | 113.8 | ||||
| 1349 | A | 38.2 | Very low | 43.5 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | 73.9 | 128.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1350 | G | 41.6 | Very low | 43.3 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | cis | 176.9 | 178.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1351 | D | 47.6 | Very low | 43.3 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -63.9 | 149.7 | 155 | -43 | -70.8 | 0 | 0 | 0 | 108.9 | ||||
| 1352 | P | 51.5 | Low | 43.1 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | cis | -132.3 | 169 | 9 | 41.3 | -25.9 | 0 | 0 | 0 | 115.7 | F1354 | P1352-F1354 HydrophobicContact CB-CD2 3.76Å; P1352-F1354 HydrophobicContact CB-CE2 4.06Å; P1352-F1354 HydrophobicContact CG-CD2 4.4Å | ||
| 1353 | G | 38.4 | Very low | 42.7 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | -133 | 80.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1354 | F | 46.9 | Very low | 43 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -82.1 | 139.6 | -174 | -94.3 | -77.9 | 0 | 0 | 0 | 113.6 | P1352 | P1352-F1354 HydrophobicContact CB-CD2 3.76Å; P1352-F1354 HydrophobicContact CB-CE2 4.06Å; P1352-F1354 HydrophobicContact CG-CD2 4.4Å | ||
| 1355 | R | 47.3 | Very low | 43.4 | Very low | 203 Ų | 203 | 130.3 Ų | 130.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | 73.8 | 70.4 | 150 | -154.6 | -178.6 | -166.1 | 166.1 | 7 | 118.1 | T1357 | R1355-T1357 HydrophobicContact CG-CG2 3.63Š| ||
| 1356 | G | 38.4 | Very low | 43.7 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -82 | 99.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1357 | T | 43.9 | Very low | 43.2 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | trans | -96.8 | 99.7 | 177.8 | 33 | 0 | 0 | 0 | 0 | 112.6 | R1355 | R1355-T1357 HydrophobicContact CG-CG2 3.63Š| ||
| 1358 | Q | 37.1 | Very low | 42.9 | Very low | 200 Ų | 200 | 129.3 Ų | 129.3 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | trans | -167.1 | 141.7 | 151.4 | -109.5 | 168.9 | -68.4 | 0 | 0 | 107.9 | ||||
| 1359 | G | 39.7 | Very low | 42.1 | Very low | 60 Ų | 60 | 129.7 Ų | 129.7 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | cis | 169 | 119.5 | -5.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | P1361 | G1359-P1361 WeakPolarHBondContact O-CD 3.27Š| ||
| 1360 | E | 44.3 | Very low | 42.3 | Very low | 206 Ų | 206 | 130.7 Ų | 130.7 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | trans | -63.2 | 126.9 | -161.2 | -62 | -177.6 | 124.8 | 0 | 0 | 114 | ||||
| 1361 | P | 42.4 | Very low | 42.2 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | trans | -127.4 | 129.8 | 165.3 | 24.8 | -2.9 | 0 | 0 | 0 | 111.8 | G1359 | G1359-P1361 WeakPolarHBondContact O-CD 3.27Š| ||
| 1362 | G | 39.7 | Very low | 41.9 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | cis | 174.4 | 122 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1363 | D | 37.9 | Very low | 41 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | 26.6 | 94.7 | 154.9 | -53.7 | -24.7 | 0 | 0 | 0 | 119.5 | ||||
| 1364 | R | 43.9 | Very low | 41 | Very low | 226 Ų | 226 | 133.6 Ų | 133.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | -157 | 133.8 | 125.5 | -138.9 | 166.6 | -173.2 | 162.9 | 4.3 | 112.1 | F1366 | R1364-F1366 WeakPolarHBondContact O-CD1 3.26Å; R1364-F1366 WeakPolarHBondContact O-CE1 3.38Å; R1364-F1366 VanDerWaalsContact O-CZ 3.29Å; R1364-F1366 WeakPolarHBondContact O-CZ 3.43Å | |||
| 1365 | G | 47.1 | Very low | 41 | Very low | 57 Ų | 57 | 129.4 Ų | 129.4 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | cis | 157.2 | 70.3 | -4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1366 | F | 52.7 | Low | 40.8 | Very low | 192 Ų | 192 | 126 Ų | 126 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | cis | 64.3 | 79.6 | 31.5 | -44.8 | 171.1 | 0 | 0 | 0 | 112.5 | R1364 | R1364-F1366 WeakPolarHBondContact O-CD1 3.26Å; R1364-F1366 WeakPolarHBondContact O-CE1 3.38Å; R1364-F1366 VanDerWaalsContact O-CZ 3.29Å; R1364-F1366 WeakPolarHBondContact O-CZ 3.43Å | ||
| 1367 | P | 39.4 | Very low | 40.5 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -69.6 | 146 | 143.7 | -3.8 | 23.4 | 0 | 0 | 0 | 107.9 | ||||
| 1368 | G | 30.5 | Very low | 40.5 | Very low | 53 Ų | 53 | 132.5 Ų | 132.5 | 55% | 0.546 | 80% | 0.798 | S | S | . | * | cis | 103.2 | 93.3 | 30.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1369 | T | 36.1 | Very low | 40.5 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | 66.2 | 165.2 | 80.6 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1370 | P | 41.1 | Very low | 40.2 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | cis | -114.4 | 176.2 | -6.9 | 16.4 | 8.2 | 0 | 0 | 0 | 112.2 | ||||
| 1371 | G | 41.3 | Very low | 40.1 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | cis | 178.6 | -175.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1372 | Q | 40.4 | Very low | 39.8 | Very low | 183 Ų | 183 | 126.9 Ų | 126.9 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | -75.3 | 156.8 | 149.5 | -68 | 169.6 | -7 | 0 | 0 | 106.4 | ||||
| 1373 | D | 33.3 | Very low | 39.5 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | cis | -136.3 | 165.5 | 47.7 | -66.4 | -47.2 | 0 | 0 | 0 | 113.3 | ||||
| 1374 | G | 37.9 | Very low | 39.9 | Very low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | cis | -179 | -176.4 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1375 | A | 46.5 | Very low | 39.6 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 85% | 0.851 | 71% | 0.712 | S | S | * | * | trans | -82.1 | 131.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1376 | P | 44.2 | Very low | 38.8 | Very low | 133 Ų | 133 | 116.6 Ų | 116.6 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | -143.2 | 162 | 86.9 | 38.4 | -24.6 | 0 | 0 | 0 | 114.3 | |||||
| 1377 | G | 31.7 | Very low | 38.5 | Very low | 74 Ų | 74 | 112.7 Ų | 112.7 | 76% | 0.763 | 69% | 0.685 | S | S | * | * | trans | 143 | 77 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1378 | R | 43.8 | Very low | 38.3 | Very low | 247 Ų | 247 | 110.5 Ų | 110.5 | 93% | 0.932 | 67% | 0.671 | S | S | * | * | trans | -84.8 | 96.7 | 136.1 | -88.6 | -169.4 | 176.8 | -174.6 | -0.2 | 107.5 | ||||
| 1379 | D | 36.9 | Very low | 38.5 | Very low | 119 Ų | 119 | 109.4 Ų | 109.4 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | -165.8 | 147 | 106.8 | -108.2 | -5.8 | 0 | 0 | 0 | 111 | R329 | R329-D1379 WeakPolarHBondContact CD-O 3.24Å; R329-D1379 PolarHBondContact NH1-O 3.14Å | |||
| 1380 | G | 32.4 | Very low | 38.3 | Very low | 19 Ų | 19 | 106.7 Ų | 106.7 | 20% | 0.196 | 64% | 0.641 | C | S | . | * | cis | 176.6 | -122 | 23 | 0 | 0 | 0 | 0 | 0 | 110.1 | G328 R329 | G328-G1380 CarbonylContact C-O 2.78Å; G328-G1380 WeakPolarHBondContact CA-O 3.23Å; R329-G1380 PolarHBondContact N-O 3.39Å | ||
| 1381 | F | 42.9 | Very low | 38.1 | Very low | 151 Ų | 151 | 107.9 Ų | 107.9 | 66% | 0.662 | 64% | 0.64 | S | S | * | * | trans | -135 | 106 | -173.5 | -90.8 | -117.1 | 0 | 0 | 0 | 115.6 | E326 P327 | E326-F1381 VanDerWaalsContact O-CD1 3.23Å; E326-F1381 WeakPolarHBondContact O-CD1 3.33Å; E326-F1381 VanDerWaalsContact O-CE1 3.25Å; E326-F1381 WeakPolarHBondContact O-CE1 3.46Å; P327-F1381 VanDerWaalsContact CA-CD1 3.48Å; P327-F1381 CarbonylContact O-C 3.57Å; P327-F1381 WeakPolarHBondContact O-CA 3.3Å; P327-F1381 WeakPolarHBondContact O-CB 3.29Å; P327-F1381 WeakPolarHBondContact O-CD1 3.18Å; P327-F1381 WeakPolarHBondContact O-CG 3.2Å | ||
| 1382 | R | 37 | Very low | 37.8 | Very low | 188 Ų | 188 | 108.3 Ų | 108.3 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | trans | -170.7 | 149.8 | 147.1 | -117.7 | -178.9 | 179.6 | -178.5 | 0.7 | 111.7 | P327 G328 R329 | P327-R1382 VanDerWaalsContact O-CA 3.23Å; P327-R1382 WeakPolarHBondContact O-CA 3.43Å; P327-R1382 PolarHBondContact O-N 3.09Å; G328-R1382 CarbonylContact O-C 3.44Å; R329-R1382 VanDerWaalsContact CA-O 3.27Å; R329-R1382 WeakPolarHBondContact CA-O 3.39Å | ||
| 1383 | G | 32.3 | Very low | 37.8 | Very low | 52 Ų | 52 | 107.9 Ų | 107.9 | 54% | 0.536 | 65% | 0.647 | S | S | . | * | cis | -162 | 177.6 | 12.6 | 0 | 0 | 0 | 0 | 0 | 112 | P327 | P327-G1383 VanDerWaalsContact CG-CA 3.45Š| ||
| 1384 | N | 47.2 | Very low | 38.5 | Very low | 78 Ų | 78 | 106.6 Ų | 106.6 | 42% | 0.417 | 65% | 0.647 | S | S | . | * | trans | -124 | 116.6 | 176.3 | -87.4 | -85.7 | 0 | 0 | 0 | 111.5 | L323 P327 | L323-N1384 HydrophobicContact CD2-CB 3.52Å; P327-N1384 WeakPolarHBondContact CB-ND2 3.15Å | ||
| 1385 | P | 37.5 | Very low | 38.4 | Very low | 123 Ų | 123 | 107 Ų | 107 | 80% | 0.799 | 65% | 0.652 | S | S | * | * | -152.3 | 150.6 | 125 | 32.5 | -12.8 | 0 | 0 | 0 | 116.7 | |||||
| 1386 | G | 29.7 | Very low | 38 | Very low | 45 Ų | 45 | 111.4 Ų | 111.4 | 46% | 0.464 | 66% | 0.657 | S | S | . | * | trans | -133.7 | -133 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | K320 | K320-G1386 WeakPolarHBondContact CE-O 3.3Å; K320-G1386 VanDerWaalsContact CG-C 3.47Å; K320-G1386 PolarHBondContact NZ-O 2.9Å | ||
| 1387 | R | 45.9 | Very low | 38.2 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 41% | 0.411 | 66% | 0.656 | S | S | . | * | trans | 48 | 126.7 | 169.2 | -140.4 | 160 | -99.7 | -98.5 | 3.8 | 116 | T318 G319 K320 N1390 | T318-R1387 WeakPolarHBondContact O-CA 3.42Å; T318-R1387 PolarHBondContact O-N 2.86Å; G319-R1387 PolarHBondContact O-NH2 2.72Å; K320-R1387 HydrophobicContact CB-CB 3.48Å; K320-R1387 VanDerWaalsContact CB-CB 3.48Å; K320-R1387 HydrophobicContact CB-CG 3.99Å; K320-R1387 HydrophobicContact CD-CB 3.97Å; K320-R1387 HydrophobicContact CG-CB 3.65Å; K320-R1387 PolarHBondContact O-NE 2.89Å; K320-R1387 VanDerWaalsContact O-NE 3.08Å; K320-R1387 PolarHBondContact O-NH2 2.99Å; R1387-N1390 PolarHBondContact NH1-ND2 3.36Å; R1387-N1390 PolarHBondContact NH1-OD1 3.15Å | ||
| 1388 | P | 36.7 | Very low | 39.1 | Very low | 79 Ų | 79 | 114.9 Ų | 114.9 | 51% | 0.513 | 65% | 0.648 | S | S | . | * | -148.6 | 157.2 | 63.7 | 37.2 | -16.5 | 0 | 0 | 0 | 121.5 | E317 | E317-P1388 CarbonylContact C-O 3.58Å; E317-P1388 VanDerWaalsContact C-O 3.25Å; E317-P1388 WeakPolarHBondContact CA-O 2.98Å; E317-P1388 PolarHBondContact N-O 2.93Å; E317-P1388 VanDerWaalsContact N-O 3.13Å; E317-P1388 WeakPolarHBondContact O-CD 3.46Å | |||
| 1389 | G | 33.1 | Very low | 39 | Very low | 30 Ų | 30 | 108 Ų | 108 | 31% | 0.309 | 63% | 0.633 | S | S | . | * | trans | 98.9 | 125.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T318 G319 | T318-G1389 CarbonylContact C-O 3.54Å; T318-G1389 VanDerWaalsContact CA-O 3.27Å; T318-G1389 WeakPolarHBondContact CA-O 3.48Å; T318-G1389 VanDerWaalsContact CG2-O 3.24Å; T318-G1389 WeakPolarHBondContact CG2-O 3.41Å; G319-G1389 PolarHBondContact N-O 3.1Å | ||
| 1390 | N | 33.1 | Very low | 39.6 | Very low | 82 Ų | 82 | 106.7 Ų | 106.7 | 44% | 0.439 | 62% | 0.619 | S | S | . | * | cis | 82.9 | 130.2 | -3.6 | -50.8 | 98.6 | 0 | 0 | 0 | 118.4 | R1387 | R1387-N1390 PolarHBondContact NH1-ND2 3.36Å; R1387-N1390 PolarHBondContact NH1-OD1 3.15Å | ||
| 1391 | D | 36.4 | Very low | 40.5 | Very low | 153 Ų | 153 | 108 Ų | 108 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | cis | -158.8 | 157.5 | -14.3 | -84.7 | -36.5 | 0 | 0 | 0 | 109 | ||||
| 1392 | G | 35.4 | Very low | 40.3 | Very low | 79 Ų | 79 | 105.2 Ų | 105.2 | 81% | 0.814 | 62% | 0.624 | S | S | * | * | trans | -154.6 | 144 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1393 | L | 40.8 | Very low | 41.7 | Very low | 174 Ų | 174 | 100.3 Ų | 100.3 | 91% | 0.911 | 62% | 0.616 | S | S | * | * | trans | -112.1 | 152.1 | -171 | -67.1 | 167.9 | 0 | 0 | 0 | 112 | ||||
| 1394 | P | 47.4 | Very low | 42.5 | Very low | 135 Ų | 135 | 100.6 Ų | 100.6 | 88% | 0.877 | 62% | 0.62 | S | S | * | * | -143.1 | 171.4 | 81.6 | 30.7 | -9.8 | 0 | 0 | 0 | 115.4 | |||||
| 1395 | G | 36.5 | Very low | 41.9 | Very low | 74 Ų | 74 | 104.4 Ų | 104.4 | 76% | 0.763 | 64% | 0.64 | S | S | * | * | trans | -145.1 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1396 | M | 36.9 | Very low | 43.1 | Very low | 196 Ų | 196 | 104.4 Ų | 104.4 | 97% | 0.966 | 64% | 0.64 | S | S | * | * | trans | -131 | -179.3 | -171.6 | -67.4 | -166.9 | 78.9 | 0 | 0 | 115.4 | ||||
| 1397 | R | 49.4 | Very low | 43.9 | Very low | 223 Ų | 223 | 105.7 Ų | 105.7 | 84% | 0.842 | 65% | 0.653 | S | S | * | * | trans | -76.6 | 146.3 | -141.8 | -137.6 | 177.1 | -165.3 | 174.9 | 3.8 | 118.2 | ||||
| 1398 | G | 50.3 | Low | 43.4 | Very low | 57 Ų | 57 | 109.5 Ų | 109.5 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -67.3 | 172 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1399 | T | 40.6 | Very low | 44.1 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | trans | -87.5 | 176.3 | -177.9 | -10 | 0 | 0 | 0 | 0 | 112.4 | K1061 G1401 | K1061-T1399 VanDerWaalsContact CE-OG1 3.31Å; K1061-T1399 WeakPolarHBondContact CE-OG1 3.46Å; K1061-T1399 VanDerWaalsContact NZ-N 3.19Å; K1061-T1399 PolarHBondContact NZ-OG1 2.92Å; T1399-G1401 PolarHBondContact O-N 3.24Å | ||
| 1400 | R | 49.9 | Very low | 44.5 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 35% | 0.347 | 70% | 0.698 | S | S | . | * | trans | -43.7 | 132.1 | 167.5 | -87.6 | -157.9 | 93.2 | 119.4 | 23.4 | 109.6 | P800 G801 F802 Q803 | P800-R1400 HydrophobicContact CB-CG 3.97Å; P800-R1400 HydrophobicContact CG-CG 4.42Å; G801-R1400 VanDerWaalsContact C-CA 3.43Å; G801-R1400 VanDerWaalsContact C-CG 3.44Å; G801-R1400 CarbonylContact O-C 3.43Å; G801-R1400 VanDerWaalsContact O-CA 3.24Å; G801-R1400 WeakPolarHBondContact O-CA 3.37Å; F802-R1400 VanDerWaalsContact O-CD 3.26Å; F802-R1400 WeakPolarHBondContact O-CD 3.02Å; F802-R1400 PolarHBondContact O-NE 2.97Å; Q803-R1400 HydrophobicContact CB-CB 3.67Å; Q803-R1400 WeakPolarHBondContact CB-O 3.5Å; Q803-R1400 HydrophobicContact CG-CB 3.95Å | ||
| 1401 | G | 51.9 | Low | 44.8 | Very low | 45 Ų | 45 | 116.6 Ų | 116.6 | 46% | 0.464 | 72% | 0.719 | S | S | . | * | trans | -129.7 | 128.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | G801 F802 Q803 T1399 | G801-G1401 PolarHBondContact O-N 2.84Å; F802-G1401 VanDerWaalsContact CA-N 3.31Å; F802-G1401 WeakPolarHBondContact CA-O 3.26Å; F802-G1401 WeakPolarHBondContact CB-O 3.03Å; Q803-G1401 CarbonylContact O-C 2.92Å; Q803-G1401 WeakPolarHBondContact O-CA 3.42Å; T1399-G1401 PolarHBondContact O-N 3.24Å | ||
| 1402 | L | 37.9 | Very low | 44.9 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 49% | 0.492 | 71% | 0.711 | S | S | . | * | trans | -65 | 159.2 | -148.5 | -106.8 | -166.7 | 0 | 0 | 0 | 113.7 | F802 Q803 G1404 | F802-L1402 VanDerWaalsContact CB-CA 3.44Å; F802-L1402 HydrophobicContact CB-CD2 4.34Å; Q803-L1402 VanDerWaalsContact C-CG 3.5Å; Q803-L1402 VanDerWaalsContact O-CA 3.27Å; Q803-L1402 WeakPolarHBondContact O-CA 3.25Å; Q803-L1402 WeakPolarHBondContact O-CB 3.42Å; Q803-L1402 WeakPolarHBondContact O-CG 3.01Å; Q803-L1402 PolarHBondContact O-N 3.36Å; L1402-G1404 PolarHBondContact O-N 3.16Å | ||
| 1403 | P | 67.5 | Low | 45.1 | Very low | 84 Ų | 84 | 116 Ų | 116 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | trans | -72 | 90.4 | 152.7 | 3.8 | 21.3 | 0 | 0 | 0 | 105.5 | F802 | F802-P1403 VanDerWaalsContact CB-CD 3.44Å; F802-P1403 HydrophobicContact CB-CG 4Å; F802-P1403 HydrophobicContact CD2-CG 3.88Å; F802-P1403 HydrophobicContact CG-CG 3.95Å | ||
| 1404 | G | 49.2 | Very low | 45 | Very low | 59 Ų | 59 | 114.2 Ų | 114.2 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 130.6 | 164 | 0 | 0 | 0 | 0 | 0 | 108.6 | L1402 P1406 | L1402-G1404 PolarHBondContact O-N 3.16Å; G1404-P1406 WeakPolarHBondContact O-CD 3.28Å |
| 1405 | N | 33.3 | Very low | 45 | Very low | 157 Ų | 157 | 116.2 Ų | 116.2 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 125.9 | 177.7 | -62.2 | -16.7 | 0 | 0 | 0 | 110.2 | ||
| 1406 | P | 64.4 | Low | 45.5 | Very low | 123 Ų | 123 | 116 Ų | 116 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.3 | 170.4 | -20.9 | 34.3 | 0 | 0 | 0 | 111.9 | G1404 | G1404-P1406 WeakPolarHBondContact O-CD 3.28Š|
| 1407 | G | 45 | Very low | 45.7 | Very low | 72 Ų | 72 | 112.7 Ų | 112.7 | 74% | 0.742 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 173.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1408 | F | 36.3 | Very low | 45.7 | Very low | 190 Ų | 190 | 106.7 Ų | 106.7 | 83% | 0.833 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -82 | 161 | -173.2 | -78.1 | -99.7 | 0 | 0 | 0 | 114.3 | ||
| 1409 | P | 51.9 | Low | 45.2 | Very low | 98 Ų | 98 | 107.2 Ų | 107.2 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | trans | -124 | 168 | -161.5 | 41.5 | -27.3 | 0 | 0 | 0 | 116.5 | K1730 | P1409-K1730 VanDerWaalsContact CD-NZ 3.33Š| ||
| 1410 | G | 41.4 | Very low | 45.5 | Very low | 69 Ų | 69 | 106.3 Ų | 106.3 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | trans | 142 | 153.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1411 | I | 39.2 | Very low | 45.4 | Very low | 172 Ų | 172 | 108 Ų | 108 | 88% | 0.882 | 70% | 0.702 | S | S | * | * | cis | -166.8 | 174.2 | 2.1 | 36.3 | 169.7 | 0 | 0 | 0 | 106.8 | ||||
| 1412 | K | 38.1 | Very low | 44.5 | Very low | 150 Ų | 150 | 109.4 Ų | 109.4 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | cis | -173.9 | 142 | -39 | 173.5 | -178.3 | 174 | -172 | 0 | 107.3 | I290 | I290-K1412 HydrophobicContact CD1-CD 4.09Å; I290-K1412 HydrophobicContact CD1-CG 3.97Å | ||
| 1413 | G | 38.6 | Very low | 44.8 | Very low | 70 Ų | 70 | 112.9 Ų | 112.9 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 81.9 | 173.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1414 | V | 38.8 | Very low | 43.8 | Very low | 136 Ų | 136 | 115 Ų | 115 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | cis | -141.5 | 146.1 | -1.1 | -168.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1415 | M | 47.8 | Very low | 43.3 | Very low | 177 Ų | 177 | 115.8 Ų | 115.8 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | 161.6 | 150.8 | 87.2 | -167.8 | 155.8 | 67.3 | 0 | 0 | 107.1 | |||||
| 1416 | G | 46.8 | Very low | 43.5 | Very low | 69 Ų | 69 | 116.6 Ų | 116.6 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | 123.5 | 90.1 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1417 | S | 40.9 | Very low | 42.3 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | -142.9 | 150.8 | 159.1 | 60.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1418 | Q | 49.4 | Very low | 42.1 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 45% | 0.453 | 76% | 0.758 | S | S | . | * | trans | -137.1 | 156.9 | -174.2 | -169.3 | 168.3 | 8.3 | 0 | 0 | 108 | A282 G283 F284 D285 | A282-Q1418 CarbonylContact O-C 3.6Å; G283-Q1418 PolarHBondContact O-NE2 3.18Å; G283-Q1418 PolarHBondContact O-OE1 2.76Å; F284-Q1418 VanDerWaalsContact CA-OE1 3.26Å; D285-Q1418 VanDerWaalsContact N-NE2 3.19Å | ||
| 1419 | G | 40.3 | Very low | 42.5 | Very low | 68 Ų | 68 | 114.7 Ų | 114.7 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -170.7 | 114.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A282 | A282-G1419 WeakPolarHBondContact O-CA 3.16Å; A282-G1419 PolarHBondContact O-N 2.99Å | ||
| 1420 | P | 47.2 | Very low | 42.1 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 53% | 0.532 | 77% | 0.771 | S | S | . | * | trans | -106.5 | -155.4 | 172 | 43.1 | -34.4 | 0 | 0 | 0 | 109.5 | A282 | A282-P1420 HydrophobicContact CB-CG 3.62Å; A282-P1420 WeakPolarHBondContact O-CD 3.15Å | ||
| 1421 | P | 46.6 | Very low | 42.1 | Very low | 128 Ų | 128 | 118.3 Ų | 118.3 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | cis | -117.4 | 176.3 | -41 | 18.9 | 2.5 | 0 | 0 | 0 | 111.4 | ||||
| 1422 | G | 34.8 | Very low | 42.3 | Very low | 75 Ų | 75 | 116.3 Ų | 116.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 145.8 | 140 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1423 | I | 42.7 | Very low | 42.9 | Very low | 167 Ų | 167 | 114.3 Ų | 114.3 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | trans | -153.7 | 170.7 | 174.3 | 11.7 | 171.5 | 0 | 0 | 0 | 107.3 | ||||
| 1424 | P | 48.1 | Very low | 43.1 | Very low | 127 Ų | 127 | 112.4 Ų | 112.4 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | cis | -131.3 | -173.3 | -19.3 | 36 | -17 | 0 | 0 | 0 | 113.3 | ||||
| 1425 | G | 37.7 | Very low | 43.4 | Very low | 77 Ų | 77 | 116.6 Ų | 116.6 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -162.3 | 145.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1426 | Q | 37.2 | Very low | 43.1 | Very low | 174 Ų | 174 | 112.5 Ų | 112.5 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | trans | -108.8 | 156.2 | -159.4 | -58.4 | -178.8 | -10.1 | 0 | 0 | 116.7 | ||||
| 1427 | M | 39.4 | Very low | 43.1 | Very low | 175 Ų | 175 | 114 Ų | 114 | 86% | 0.862 | 71% | 0.706 | S | S | * | * | 53.3 | 147.5 | 127.6 | -169.4 | 169.9 | 62.3 | 0 | 0 | 121.4 | |||||
| 1428 | G | 40.2 | Very low | 43.1 | Very low | 72 Ų | 72 | 117.3 Ų | 117.3 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | cis | -172.1 | -154.3 | 5.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1429 | A | 46.6 | Very low | 42.8 | Very low | 97 Ų | 97 | 117.5 Ų | 117.5 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | cis | -172.7 | 179.6 | -15.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1430 | K | 43.3 | Very low | 42.6 | Very low | 213 Ų | 213 | 123 Ų | 123 | 93% | 0.926 | 72% | 0.717 | S | S | * | * | trans | 79.7 | 156.9 | 173.6 | -74.8 | -173.5 | 174 | -179 | 0 | 119.2 | ||||
| 1431 | G | 40.9 | Very low | 41.9 | Very low | 30 Ų | 30 | 128.7 Ų | 128.7 | 31% | 0.309 | 73% | 0.733 | S | S | . | * | cis | -142.8 | 175 | 8.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | G759 | G759-G1431 CarbonylContact C-O 3.53Å; G759-G1431 VanDerWaalsContact O-O 3.07Å | ||
| 1432 | L | 43.7 | Very low | 41.7 | Very low | 131 Ų | 131 | 126 Ų | 126 | 69% | 0.686 | 73% | 0.729 | S | S | * | * | trans | -154.1 | 178.1 | -166.1 | -60 | 175.1 | 0 | 0 | 0 | 110.2 | ||||
| 1433 | P | 50 | Low | 42.2 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | cis | -132.9 | -163.6 | 0 | 45.3 | -27.6 | 0 | 0 | 0 | 113.8 | P758 | P758-P1433 CarbonylContact O-C 3.3Å; P758-P1433 VanDerWaalsContact O-C 3.23Å; P758-P1433 VanDerWaalsContact O-CA 3.29Å; P758-P1433 WeakPolarHBondContact O-CA 3.47Å | ||
| 1434 | G | 42.2 | Very low | 42 | Very low | 31 Ų | 31 | 134.6 Ų | 134.6 | 32% | 0.32 | 74% | 0.738 | S | S | . | * | cis | 124.9 | 87.5 | -18 | 0 | 0 | 0 | 0 | 0 | 119.5 | I757 P758 | I757-G1434 CarbonylContact O-C 3.55Å; I757-G1434 WeakPolarHBondContact O-CA 3.09Å; P758-G1434 WeakPolarHBondContact O-CA 3.33Å; P758-G1434 PolarHBondContact O-N 3.41Å | ||
| 1435 | R | 46.2 | Very low | 41.8 | Very low | 223 Ų | 223 | 131.5 Ų | 131.5 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | -165.1 | 170.1 | -176.4 | -93.5 | -161 | 150.2 | 160.2 | -2.3 | 116.8 | ||||
| 1436 | S | 40.7 | Very low | 41.9 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | cis | 168.2 | -175.2 | -30.5 | 65.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1437 | D | 46.5 | Very low | 42.6 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 54% | 0.535 | 73% | 0.732 | S | S | . | * | cis | -164.9 | 173.7 | -1.1 | -156.6 | -13.8 | 0 | 0 | 0 | 109.6 | ||||
| 1438 | R | 40.7 | Very low | 42.8 | Very low | 198 Ų | 198 | 128.2 Ų | 128.2 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | trans | 65.5 | 173.9 | 152 | -81.8 | 163.4 | -130.5 | -104.6 | -18.5 | 120.8 | ||||
| 1439 | P | 44.2 | Very low | 42.9 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | cis | -139.4 | 150.2 | -34.2 | 34.4 | -16.3 | 0 | 0 | 0 | 118 | ||||
| 1440 | Q | 35.4 | Very low | 43.2 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | 53.3 | 166.1 | 138.3 | -55.6 | -178.4 | -13 | 0 | 0 | 120.3 | ||||
| 1441 | K | 32.7 | Very low | 43.5 | Very low | 201 Ų | 201 | 124.6 Ų | 124.6 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | cis | -160 | 156 | 13.1 | -160.1 | 177.7 | -179.2 | 179.7 | 0 | 110 | ||||
| 1442 | G | 42 | Very low | 43.5 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | 145.2 | 135.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1443 | I | 45.3 | Very low | 43.7 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | -144.9 | 131 | 176.4 | -52.9 | 170.2 | 0 | 0 | 0 | 108.4 | ||||
| 1444 | R | 40.1 | Very low | 43.8 | Very low | 247 Ų | 247 | 126.5 Ų | 126.5 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | trans | -165.7 | 123 | 157.5 | -168.6 | 170.1 | -175.2 | 166.7 | 1.6 | 114.1 | ||||
| 1445 | G | 42.1 | Very low | 44.1 | Very low | 61 Ų | 61 | 133.9 Ų | 133.9 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | 61.4 | 117.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120 | P1447 | G1445-P1447 WeakPolarHBondContact O-CD 3.24Š| ||
| 1446 | D | 40 | Very low | 44.6 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124 | 175.3 | -49.5 | -82.4 | 0 | 0 | 0 | 113 | ||
| 1447 | P | 52.5 | Low | 45 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 135.6 | 161.6 | -12.4 | 30.2 | 0 | 0 | 0 | 109.7 | G1445 | G1445-P1447 WeakPolarHBondContact O-CD 3.24Š|
| 1448 | G | 44.6 | Very low | 45.1 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 155 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1450 | G1448-P1450 WeakPolarHBondContact O-CD 3.4Š|
| 1449 | S | 40.4 | Very low | 45.8 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 118.2 | 179.8 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | G1451 | S1449-G1451 PolarHBondContact O-N 2.96Š|
| 1450 | P | 54.7 | Low | 46 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.3 | 165.8 | -23.8 | 35.1 | 0 | 0 | 0 | 109.7 | G1448 | G1448-P1450 WeakPolarHBondContact O-CD 3.4Š|
| 1451 | G | 48.1 | Very low | 46.5 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 157.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114 | S1449 T1453 | S1449-G1451 PolarHBondContact O-N 2.96Å; G1451-T1453 PolarHBondContact O-N 2.94Å; G1451-T1453 VanDerWaalsContact O-N 3.13Å |
| 1452 | A | 41.7 | Very low | 47.1 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 119.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1454 | A1452-G1454 PolarHBondContact O-N 3.19Š|
| 1453 | T | 48.3 | Very low | 47.5 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -60.8 | 108.7 | 167.8 | -52.3 | 0 | 0 | 0 | 0 | 107.7 | G1451 | G1451-T1453 PolarHBondContact O-N 2.94Å; G1451-T1453 VanDerWaalsContact O-N 3.13Å | ||
| 1454 | G | 51.9 | Low | 47.3 | Very low | 59 Ų | 59 | 123.7 Ų | 123.7 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | trans | -59.5 | 158.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1452 | A1452-G1454 PolarHBondContact O-N 3.19Š| ||
| 1455 | E | 48.2 | Very low | 47.4 | Very low | 186 Ų | 186 | 123.8 Ų | 123.8 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -51.4 | 137.6 | 173.9 | -60.1 | -176 | 137.5 | 0 | 0 | 110.6 | G1457 | E1455-G1457 PolarHBondContact O-N 2.84Š| ||
| 1456 | P | 56.3 | Low | 47.7 | Very low | 134 Ų | 134 | 124 Ų | 124 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | trans | -58.9 | 100.7 | 170.2 | -24 | 34.9 | 0 | 0 | 0 | 109.8 | ||||
| 1457 | G | 50.4 | Low | 47.8 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -56.2 | 140.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1455 P1459 | E1455-G1457 PolarHBondContact O-N 2.84Å; G1457-P1459 WeakPolarHBondContact O-CD 3.18Å; G1457-P1459 VanDerWaalsContact O-N 3.15Å | ||
| 1458 | L | 46.8 | Very low | 47.6 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -44.9 | 118.9 | 178.6 | -70 | 168.2 | 0 | 0 | 0 | 110.8 | G1460 | L1458-G1460 PolarHBondContact O-N 3.04Š| ||
| 1459 | P | 55.8 | Low | 47.5 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -54.6 | 114.2 | 176 | -28.6 | 36.7 | 0 | 0 | 0 | 110.6 | G1457 | G1457-P1459 WeakPolarHBondContact O-CD 3.18Å; G1457-P1459 VanDerWaalsContact O-N 3.15Å | ||
| 1460 | G | 49.4 | Very low | 47.7 | Very low | 56 Ų | 56 | 132.8 Ų | 132.8 | 58% | 0.577 | 82% | 0.815 | S | S | * | * | trans | -65 | 143.2 | -158.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1458 S1462 | L1458-G1460 PolarHBondContact O-N 3.04Å; G1460-S1462 WeakPolarHBondContact O-CB 3.4Å; G1460-S1462 PolarHBondContact O-N 2.94Å; G1460-S1462 PolarHBondContact O-OG 2.7Å | ||
| 1461 | L | 46.4 | Very low | 47.6 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 98% | 0.979 | 82% | 0.815 | S | S | * | * | trans | -56.2 | 95.5 | 172.8 | -73.7 | 167.6 | 0 | 0 | 0 | 111.1 | G1463 | L1461-G1463 PolarHBondContact O-N 3.12Š| ||
| 1462 | S | 44.6 | Very low | 47.2 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -100.2 | 79.2 | -163.5 | 15.3 | 0 | 0 | 0 | 0 | 112.7 | G1460 | G1460-S1462 WeakPolarHBondContact O-CB 3.4Å; G1460-S1462 PolarHBondContact O-N 2.94Å; G1460-S1462 PolarHBondContact O-OG 2.7Å | ||
| 1463 | G | 49.2 | Very low | 47.2 | Very low | 67 Ų | 67 | 136.2 Ų | 136.2 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 77.9 | 107.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | L1461 R1465 | L1461-G1463 PolarHBondContact O-N 3.12Å; G1463-R1465 PolarHBondContact O-N 2.79Å | ||
| 1464 | Q | 41.4 | Very low | 46.8 | Very low | 204 Ų | 204 | 137.3 Ų | 137.3 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -63.1 | 115 | 158 | -67.2 | -176.7 | 8.2 | 0 | 0 | 109.5 | ||||
| 1465 | R | 42.5 | Very low | 46.2 | Very low | 249 Ų | 249 | 138 Ų | 138 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | trans | -100.4 | 97.3 | 175.3 | -161.7 | 172.3 | -169.1 | 179.7 | 3.1 | 111.9 | G1463 | G1463-R1465 PolarHBondContact O-N 2.79Š| ||
| 1466 | G | 48.4 | Very low | 46 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 37.3 | 112.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | Q1468 | G1466-Q1468 PolarHBondContact O-N 3.39Š| ||
| 1467 | K | 41.5 | Very low | 45 | Very low | 222 Ų | 222 | 139.5 Ų | 139.5 | 97% | 0.965 | 81% | 0.811 | S | S | * | * | trans | -62.9 | 113.4 | 155 | -64.4 | -179.7 | -179 | 179.9 | 0 | 108.7 | ||||
| 1468 | Q | 48.7 | Very low | 44.3 | Very low | 197 Ų | 197 | 140 Ų | 140 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -100.7 | 121.9 | 167.1 | -168.6 | 164.1 | -9 | 0 | 0 | 107.6 | G1466 | G1466-Q1468 PolarHBondContact O-N 3.39Š| ||
| 1469 | G | 42.8 | Very low | 44.4 | Very low | 60 Ų | 60 | 139.7 Ų | 139.7 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | trans | -88 | 178.3 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1471 | G1469-P1471 VanDerWaalsContact O-CD 3.25Å; G1469-P1471 WeakPolarHBondContact O-CD 3.19Å | ||
| 1470 | D | 45.3 | Very low | 43.9 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -91 | 121.1 | -174.2 | -47.9 | -80.7 | 0 | 0 | 0 | 114 | ||||
| 1471 | P | 52.5 | Low | 43.6 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -135 | 140.1 | 151.7 | 37.3 | -25.5 | 0 | 0 | 0 | 112.1 | G1469 | G1469-P1471 VanDerWaalsContact O-CD 3.25Å; G1469-P1471 WeakPolarHBondContact O-CD 3.19Å | ||
| 1472 | G | 39.4 | Very low | 44.1 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | cis | -168.2 | 170 | -4.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1473 | E | 42.2 | Very low | 44.1 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 81% | 0.807 | S | S | * | * | trans | -83.2 | 168.6 | -168.1 | -59 | -167.3 | 135.2 | 0 | 0 | 117.3 | ||||
| 1474 | K | 38.5 | Very low | 44 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 73% | 0.726 | 81% | 0.812 | S | S | * | * | trans | 86.4 | 154 | 158.7 | -67 | -179 | -178.6 | 75.1 | 0 | 115.8 | ||||
| 1475 | G | 39.5 | Very low | 43.9 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | cis | -118.5 | -159.6 | 18.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1476 | I | 44.6 | Very low | 44 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -149.1 | 162.8 | -156.2 | -25.8 | 174.7 | 0 | 0 | 0 | 111.3 | ||||
| 1477 | K | 34.1 | Very low | 44 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | 95.5 | 144.1 | 173.9 | -56.3 | 171.6 | -179 | 179.3 | 0 | 114.5 | ||||
| 1478 | G | 36.4 | Very low | 44.1 | Very low | 73 Ų | 73 | 133.1 Ų | 133.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | -172.2 | 176.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1479 | L | 48.9 | Very low | 44.2 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -79 | 150.4 | 175 | -98.5 | 73.1 | 0 | 0 | 0 | 112 | ||||
| 1480 | P | 45.5 | Very low | 44.6 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | -149.4 | 172.5 | 95.7 | 38.4 | -20.6 | 0 | 0 | 0 | 116.8 | |||||
| 1481 | N | 42.2 | Very low | 45.1 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -87.3 | 155.3 | 170.9 | -62.1 | -35.4 | 0 | 0 | 0 | 111.3 | ||||
| 1482 | P | 57.2 | Low | 44.9 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -154.3 | 149.5 | 89 | 37.4 | -17.1 | 0 | 0 | 0 | 119.4 | |||||
| 1483 | I | 44.5 | Very low | 45.7 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | 20 | 144.4 | 132.9 | -24.8 | 171.8 | 0 | 0 | 0 | 120 | ||||
| 1484 | P | 47.3 | Very low | 46.7 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | cis | -135 | 175 | -40.5 | 41.7 | -26.4 | 0 | 0 | 0 | 115.3 | ||||
| 1485 | G | 40.2 | Very low | 47.5 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 113.9 | 104.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1486 | A | 45.3 | Very low | 48.3 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -150.2 | 151.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1487 | R | 46.8 | Very low | 48.9 | Very low | 250 Ų | 250 | 141.1 Ų | 141.1 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.5 | -171.6 | -165.4 | 176.5 | -170.7 | 165.9 | 0.8 | 112.2 | ||
| 1488 | G | 44.6 | Very low | 49.7 | Very low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 150.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1489 | R | 50.4 | Low | 51 | Low | 249 Ų | 249 | 140.8 Ų | 140.8 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 156.8 | 163.8 | -92.5 | -178.1 | 160.7 | -177.7 | -6.1 | 110.6 | G1491 | R1489-G1491 PolarHBondContact O-N 3.1Š|
| 1490 | T | 50.7 | Low | 51 | Low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -52 | 132.9 | -177.4 | -43.9 | 0 | 0 | 0 | 0 | 111.9 | D1492 | T1490-D1492 PolarHBondContact O-N 2.74Š|
| 1491 | G | 56.5 | Low | 51.3 | Low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1489 | R1489-G1491 PolarHBondContact O-N 3.1Š|
| 1492 | D | 47.5 | Very low | 51.8 | Low | 163 Ų | 163 | 144.5 Ų | 144.5 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 139.3 | 175.2 | -74.7 | -57.9 | 0 | 0 | 0 | 111.1 | T1490 G1494 | T1490-D1492 PolarHBondContact O-N 2.74Å; D1492-G1494 PolarHBondContact O-N 3Å |
| 1493 | R | 56.9 | Low | 51.4 | Low | 245 Ų | 245 | 142.4 Ų | 142.4 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -62.1 | 111.1 | 179.8 | -176.1 | -178.4 | -172.6 | 170.6 | 5 | 109.1 | ||||
| 1494 | G | 62.5 | Low | 51.9 | Low | 55 Ų | 55 | 142.5 Ų | 142.5 | 57% | 0.567 | 81% | 0.813 | S | S | * | * | trans | -48.1 | 143 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | D1492 R1496 | D1492-G1494 PolarHBondContact O-N 3Å; G1494-R1496 PolarHBondContact O-N 2.99Å | ||
| 1495 | P | 55.2 | Low | 51.9 | Low | 128 Ų | 128 | 146.4 Ų | 146.4 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -56.3 | 136.2 | -172.4 | 23.1 | -33.7 | 0 | 0 | 0 | 110.8 | G1497 | P1495-G1497 PolarHBondContact O-N 2.62Š| ||
| 1496 | R | 57.5 | Low | 52.2 | Low | 239 Ų | 239 | 145.8 Ų | 145.8 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -60.9 | 110.9 | 174.9 | 178.2 | -177 | -177.2 | 169.3 | 2.5 | 108 | G1494 | G1494-R1496 PolarHBondContact O-N 2.99Š| ||
| 1497 | G | 56.4 | Low | 52.6 | Low | 64 Ų | 64 | 149.5 Ų | 149.5 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 139.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1495 | P1495-G1497 PolarHBondContact O-N 2.62Š|
| 1498 | D | 52.2 | Low | 52.7 | Low | 153 Ų | 153 | 145.5 Ų | 145.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 132.7 | -168.9 | -64.7 | -63.9 | 0 | 0 | 0 | 112.4 | G1500 | D1498-G1500 PolarHBondContact O-N 3.45Å; D1498-G1500 VanDerWaalsContact O-N 3.08Å |
| 1499 | P | 62.9 | Low | 52.7 | Low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 116.3 | 170 | -22.8 | 34 | 0 | 0 | 0 | 109.9 | ||
| 1500 | G | 49.7 | Very low | 52.6 | Low | 70 Ų | 70 | 142.4 Ų | 142.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 140 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1498 R1502 | D1498-G1500 PolarHBondContact O-N 3.45Å; D1498-G1500 VanDerWaalsContact O-N 3.08Å; G1500-R1502 PolarHBondContact O-N 2.99Å |
| 1501 | F | 51.2 | Low | 52.3 | Low | 212 Ų | 212 | 145.7 Ų | 145.7 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -45.1 | 121.2 | -171.2 | -70.2 | -83.2 | 0 | 0 | 0 | 113.3 | G1503 | F1501-G1503 PolarHBondContact O-N 3.41Š| ||
| 1502 | R | 53.2 | Low | 51.7 | Low | 223 Ų | 223 | 145.5 Ų | 145.5 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -60.8 | 111.2 | 171.2 | -167 | -179.2 | -166.5 | -176.3 | 4.4 | 107.8 | G1500 M1504 | G1500-R1502 PolarHBondContact O-N 2.99Å; R1502-M1504 PolarHBondContact O-N 3.37Å | ||
| 1503 | G | 47.2 | Very low | 51.6 | Low | 70 Ų | 70 | 145.9 Ų | 145.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 134.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1501 K1505 | F1501-G1503 PolarHBondContact O-N 3.41Å; G1503-K1505 PolarHBondContact O-N 3.1Å |
| 1504 | M | 55.8 | Low | 51.1 | Low | 162 Ų | 162 | 145.5 Ų | 145.5 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.3 | -174.1 | -70.7 | 177.1 | 68.7 | 0 | 0 | 111.4 | R1502 G1506 F1507 | R1502-M1504 PolarHBondContact O-N 3.37Å; M1504-G1506 PolarHBondContact O-N 2.83Å; M1504-G1506 VanDerWaalsContact O-N 3.15Å; M1504-F1507 HydrophobicContact CE-CE2 4.49Å; M1504-F1507 HydrophobicContact CE-CZ 4.08Å |
| 1505 | K | 47.3 | Very low | 50.3 | Low | 204 Ų | 204 | 145 Ų | 145 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 117.1 | 170 | -173.8 | -179.3 | -178.9 | -175.8 | 0 | 107.7 | G1503 F1507 | G1503-K1505 PolarHBondContact O-N 3.1Å; K1505-F1507 PolarHBondContact O-N 3.24Å |
| 1506 | G | 46.5 | Very low | 50 | Low | 65 Ų | 65 | 142.9 Ų | 142.9 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 136.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1504 | M1504-G1506 PolarHBondContact O-N 2.83Å; M1504-G1506 VanDerWaalsContact O-N 3.15Å |
| 1507 | F | 53.1 | Low | 49.6 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 139.9 | -179.2 | -64.5 | -82.4 | 0 | 0 | 0 | 111.1 | M1504 K1505 G1509 | M1504-F1507 HydrophobicContact CE-CE2 4.49Å; M1504-F1507 HydrophobicContact CE-CZ 4.08Å; K1505-F1507 PolarHBondContact O-N 3.24Å; F1507-G1509 PolarHBondContact O-N 2.91Å |
| 1508 | I | 50 | Low | 48.8 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 120.7 | 164.5 | -63.9 | 174.3 | 0 | 0 | 0 | 106 | E1510 | I1508-E1510 PolarHBondContact O-N 3.2Š|
| 1509 | G | 43.7 | Very low | 48.1 | Very low | 63 Ų | 63 | 142.1 Ų | 142.1 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 138.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1507 K1511 | F1507-G1509 PolarHBondContact O-N 2.91Å; G1509-K1511 PolarHBondContact O-N 3.44Å |
| 1510 | E | 48.4 | Very low | 46.9 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134.9 | -175 | -63.9 | -177.5 | 138.3 | 0 | 0 | 111.6 | I1508 G1512 | I1508-E1510 PolarHBondContact O-N 3.2Å; E1510-G1512 PolarHBondContact O-N 2.74Å |
| 1511 | K | 44.7 | Very low | 46.1 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | trans | -65.7 | 108.9 | 176 | -172.3 | 178.8 | -178.1 | -178.5 | 0 | 107.9 | G1509 I1513 | G1509-K1511 PolarHBondContact O-N 3.44Å; K1511-I1513 PolarHBondContact O-N 3.06Å | ||
| 1512 | G | 42.9 | Very low | 45.4 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 137.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1510 R1514 | E1510-G1512 PolarHBondContact O-N 2.74Å; G1512-R1514 PolarHBondContact O-N 3.45Å |
| 1513 | I | 47.3 | Very low | 44.9 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 131.6 | -177.8 | -42.7 | 175.8 | 0 | 0 | 0 | 109.4 | K1511 G1515 | K1511-I1513 PolarHBondContact O-N 3.06Å; I1513-G1515 PolarHBondContact O-N 2.79Å |
| 1514 | R | 45.9 | Very low | 44.3 | Very low | 236 Ų | 236 | 137.9 Ų | 137.9 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 127.1 | 169.7 | -174.1 | -180 | -176.8 | 176.2 | 1.3 | 108.3 | G1512 | G1512-R1514 PolarHBondContact O-N 3.45Š|
| 1515 | G | 44.6 | Very low | 43.7 | Very low | 44 Ų | 44 | 136.3 Ų | 136.3 | 45% | 0.454 | 77% | 0.772 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 152.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1513 | I1513-G1515 PolarHBondContact O-N 2.79Š|
| 1516 | P | 48.7 | Very low | 43.3 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 55% | 0.545 | 76% | 0.758 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 159.4 | 175 | 29.3 | -36.2 | 0 | 0 | 0 | 111.5 | E40 G1518 | E40-P1516 VanDerWaalsContact OE1-CG 3.23Å; E40-P1516 WeakPolarHBondContact OE1-CG 2.98Å; E40-P1516 WeakPolarHBondContact OE2-CD 3.23Å; P1516-G1518 PolarHBondContact O-N 2.91Å |
| 1517 | P | 50.3 | Low | 43.5 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 132.5 | 171.4 | -20.3 | 33 | 0 | 0 | 0 | 110.9 | ||
| 1518 | G | 39.1 | Very low | 43.8 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61 | 138.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1516 N1520 | P1516-G1518 PolarHBondContact O-N 2.91Å; G1518-N1520 PolarHBondContact O-N 3.43Å |
| 1519 | R | 38.7 | Very low | 45.1 | Very low | 245 Ų | 245 | 124.3 Ų | 124.3 | 93% | 0.925 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -61 | 107.4 | 177.7 | -91.4 | -179 | 159.1 | -173.1 | -5.5 | 111.3 | G1521 | R1519-G1521 PolarHBondContact O-N 3.04Š|
| 1520 | N | 36.2 | Very low | 47.3 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 31.3 | 51.2 | 163.3 | -65.9 | 17.1 | 0 | 0 | 0 | 115.5 | G1518 | G1518-N1520 PolarHBondContact O-N 3.43Š|
| 1521 | G | 34.4 | Very low | 49.4 | Very low | 62 Ų | 62 | 121.5 Ų | 121.5 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | trans | -76.2 | 136.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | R1519 | R1519-G1521 PolarHBondContact O-N 3.04Š| ||
| 1522 | T | 34.8 | Very low | 51.9 | Low | 136 Ų | 136 | 112.1 Ų | 112.1 | 83% | 0.834 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -49.5 | 137.7 | 159.2 | 47.8 | 0 | 0 | 0 | 0 | 110 | G1524 | T1522-G1524 WeakPolarHBondContact O-CA 3.39Å; T1522-G1524 PolarHBondContact O-N 3.35Å |
| 1523 | I | 42.4 | Very low | 54.5 | Low | 170 Ų | 170 | 108.9 Ų | 108.9 | 87% | 0.872 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -16.4 | 100.3 | -176 | -58.4 | 176.8 | 0 | 0 | 0 | 112.8 | L1525 | I1523-L1525 PolarHBondContact O-N 3.39Š|
| 1524 | G | 35.2 | Very low | 56.9 | Low | 65 Ų | 65 | 100.8 Ų | 100.8 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | trans | -71.4 | 82.9 | -157.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1522 D1526 | T1522-G1524 WeakPolarHBondContact O-CA 3.39Å; T1522-G1524 PolarHBondContact O-N 3.35Å; G1524-D1526 PolarHBondContact O-N 2.68Å | ||
| 1525 | L | 43 | Very low | 59.3 | Low | 129 Ų | 129 | 90.2 Ų | 90.2 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | trans | -74.1 | 57.5 | 156.2 | -79.7 | 164.7 | 0 | 0 | 0 | 110.4 | I1523 D1527 | I1523-L1525 PolarHBondContact O-N 3.39Å; L1525-D1527 PolarHBondContact O-N 2.87Å | ||
| 1526 | D | 40 | Very low | 61.8 | Low | 108 Ų | 108 | 88.6 Ų | 88.6 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | trans | -83.9 | 98.4 | -172.2 | -172.8 | 35.3 | 0 | 0 | 0 | 111.2 | G1524 S1528 | G1524-D1526 PolarHBondContact O-N 2.68Å; D1526-S1528 VanDerWaalsContact O-CB 3.32Å; D1526-S1528 WeakPolarHBondContact O-CB 3.14Å; D1526-S1528 PolarHBondContact O-N 3.36Å; D1526-S1528 PolarHBondContact O-OG 2.93Å | ||
| 1527 | D | 50.3 | Low | 64 | Low | 147 Ų | 147 | 84.7 Ų | 84.7 | 79% | 0.786 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 46.4 | -0.9 | 173.4 | -101 | -5.8 | 0 | 0 | 0 | 119.4 | L1525 G1529 | L1525-D1527 PolarHBondContact O-N 2.87Å; D1527-G1529 VanDerWaalsContact C-N 3.29Å; D1527-G1529 PolarHBondContact O-N 3.08Å |
| 1528 | S | 58.7 | Low | 66.2 | Low | 91 Ų | 91 | 82.1 Ų | 82.1 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | trans | -90.6 | 44.8 | -164.3 | 40.4 | 0 | 0 | 0 | 0 | 113.6 | D1526 F1530 | D1526-S1528 VanDerWaalsContact O-CB 3.32Å; D1526-S1528 WeakPolarHBondContact O-CB 3.14Å; D1526-S1528 PolarHBondContact O-N 3.36Å; D1526-S1528 PolarHBondContact O-OG 2.93Å; S1528-F1530 PolarHBondContact O-N 3.3Å | ||
| 1529 | G | 77.4 | Confident | 68.9 | Low | 20 Ų | 20 | 81 Ų | 81 | 21% | 0.206 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 131.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1527 L1531 S1637 | D1527-G1529 VanDerWaalsContact C-N 3.29Å; D1527-G1529 PolarHBondContact O-N 3.08Å; G1529-L1531 PolarHBondContact O-N 2.99Å; G1529-S1637 CarbonylContact C-O 3.58Å; G1529-S1637 VanDerWaalsContact C-O 3.3Å; G1529-S1637 WeakPolarHBondContact CA-O 3.47Å |
| 1530 | F | 89.7 | Confident | 71.7 | Confident | 108 Ų | 108 | 74.4 Ų | 74.4 | 47% | 0.474 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 125.1 | 176.3 | -64.5 | -95.1 | 0 | 0 | 0 | 110.8 | S1528 Q1636 S1637 T1639 W1640 | S1528-F1530 PolarHBondContact O-N 3.3Å; F1530-Q1636 WeakPolarHBondContact O-CA 3.4Å; F1530-S1637 PolarHBondContact N-O 3.24Å; F1530-S1637 PolarHBondContact O-N 3.34Å; F1530-T1639 VanDerWaalsContact CD2-C 3.45Å; F1530-W1640 HydrophobicContact CD1-CB 3.92Å; F1530-W1640 HydrophobicContact CE1-CB 3.95Å; F1530-W1640 HydrophobicContact CG-CB 4.27Å; F1530-W1640 HydrophobicContact CZ-CB 4.34Å |
| 1531 | L | 94.3 | Very high | 74.6 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.5 | 175.1 | -61.3 | -178 | 0 | 0 | 0 | 111.1 | G1529 I1551 P1574 V1634 C1635 Q1636 | G1529-L1531 PolarHBondContact O-N 2.99Å; L1531-I1551 HydrophobicContact CD2-CG1 4.06Å; L1531-P1574 HydrophobicContact CB-CG 3.61Å; L1531-P1574 HydrophobicContact CD1-CG 4.22Å; L1531-V1634 HydrophobicContact CB-CG1 4.38Å; L1531-C1635 WeakPolarHBondContact CA-O 3.5Å; L1531-Q1636 HydrophobicContact CD2-CB 3.71Å; L1531-Q1636 HydrophobicContact CD2-CG 3.98Å |
| 1532 | F | 95.7 | Very high | 77.5 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 4% | 0.039 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.1 | 174.7 | 69 | -80.2 | 0 | 0 | 0 | 110.9 | V1534 P1545 T1548 G1572 V1634 C1635 L1641 W1663 | F1532-V1534 HydrophobicContact CD2-CG2 4.01Å; F1532-V1534 HydrophobicContact CE2-CG2 3.58Å; F1532-P1545 HydrophobicContact CE2-CG 4.04Å; F1532-P1545 HydrophobicContact CZ-CG 4.06Å; F1532-T1548 HydrophobicContact CE1-CG2 3.8Å; F1532-T1548 HydrophobicContact CZ-CG2 3.8Å; F1532-G1572 CarbonylContact C-O 3.36Å; F1532-G1572 VanDerWaalsContact CA-O 3.29Å; F1532-G1572 WeakPolarHBondContact CA-O 3.24Å; F1532-V1634 WeakPolarHBondContact O-CA 3.3Å; F1532-C1635 HydrophobicContact CD1-CB 4.15Å; F1532-C1635 WeakPolarHBondContact CD1-O 3.42Å; F1532-C1635 HydrophobicContact CD2-CB 4.48Å; F1532-C1635 HydrophobicContact CE1-CB 3.5Å; F1532-C1635 VanDerWaalsContact CE1-CB 3.5Å; F1532-C1635 HydrophobicContact CE2-CB 3.89Å; F1532-C1635 HydrophobicContact CZ-CB 3.37Å; F1532-C1635 PolarHBondContact N-O 2.94Å; F1532-C1635 PolarHBondContact O-N 2.89Å; F1532-L1641 HydrophobicContact CD1-CD1 3.74Å; F1532-L1641 HydrophobicContact CD1-CD2 4.15Å; F1532-L1641 HydrophobicContact CD2-CD2 3.73Å; F1532-L1641 HydrophobicContact CE1-CD1 3.79Å; F1532-L1641 HydrophobicContact CE1-CD2 4.02Å; F1532-L1641 HydrophobicContact CE2-CD2 3.58Å; F1532-L1641 HydrophobicContact CG-CD1 4.24Å; F1532-L1641 HydrophobicContact CG-CD2 4.01Å; F1532-L1641 HydrophobicContact CZ-CD1 4.31Å; F1532-L1641 HydrophobicContact CZ-CD2 3.72Å; F1532-W1663 HydrophobicContact CD2-CH2 4.1Å; F1532-W1663 HydrophobicContact CD2-CZ3 4.18Å; F1532-W1663 HydrophobicContact CE2-CH2 4.22Å; F1532-W1663 AromaticContact CE2-CZ3 3.84Å; F1532-W1663 HydrophobicContact CE2-CZ3 3.84Å |
| 1533 | T | 97.4 | Very high | 80.4 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140.9 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 111 | H1535 L1571 G1572 T1573 P1574 C1577 C1632 I1633 | T1533-H1535 WeakPolarHBondContact CG2-NE2 3.4Å; T1533-L1571 WeakPolarHBondContact CB-O 3.31Å; T1533-G1572 PolarHBondContact N-O 3Å; T1533-T1573 PolarHBondContact OG1-O 2.67Å; T1533-P1574 WeakPolarHBondContact OG1-CA 3.34Å; T1533-C1577 HydrophobicContact CG2-CB 3.87Å; T1533-C1632 HydrophobicContact CG2-CB 3.78Å; T1533-I1633 WeakPolarHBondContact CA-O 3.29Å |
| 1534 | V | 97.5 | Very high | 83 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.6 | 164 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | F1532 P1542 P1545 C1632 I1633 W1663 | F1532-V1534 HydrophobicContact CD2-CG2 4.01Å; F1532-V1534 HydrophobicContact CE2-CG2 3.58Å; V1534-P1542 HydrophobicContact CB-CG 4.15Å; V1534-P1542 HydrophobicContact CG1-CB 4.21Å; V1534-P1542 HydrophobicContact CG1-CG 3.99Å; V1534-P1542 WeakPolarHBondContact O-CG 3.27Å; V1534-P1545 HydrophobicContact CG2-CG 4.42Å; V1534-C1632 CarbonylContact O-C 3.54Å; V1534-C1632 WeakPolarHBondContact O-CA 3.3Å; V1534-C1632 WeakPolarHBondContact O-CB 3.34Å; V1534-I1633 HydrophobicContact CB-CG2 4.03Å; V1534-I1633 PolarHBondContact N-O 2.78Å; V1534-I1633 PolarHBondContact O-N 2.87Å; V1534-W1663 HydrophobicContact CG2-CE3 4.43Å; V1534-W1663 HydrophobicContact CG2-CH2 3.87Å; V1534-W1663 HydrophobicContact CG2-CZ3 3.75Å |
| 1535 | H | 97.4 | Very high | 85.7 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.06 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127 | 177.6 | -67.7 | -80.2 | 0 | 0 | 0 | 110.4 | T1533 S1556 L1571 S1576 L1609 | T1533-H1535 WeakPolarHBondContact CG2-NE2 3.4Å; H1535-S1556 WeakPolarHBondContact ND1-CB 3.14Å; H1535-S1556 PolarHBondContact ND1-OG 2.95Å; H1535-L1571 PolarHBondContact CD2-O 2.91Å; H1535-L1571 WeakPolarHBondContact NE2-CD2 3.49Å; H1535-L1571 PolarHBondContact NE2-O 2.95Å; H1535-S1576 PolarHBondContact CE1-OG 3.1Å; H1535-S1576 VanDerWaalsContact CE1-OG 3.24Å; H1535-S1576 WeakPolarHBondContact NE2-CB 3.48Å; H1535-S1576 PolarHBondContact NE2-OG 3.48Å; H1535-L1609 HydrophobicContact CB-CD2 3.76Å |
| 1536 | S | 96.6 | Very high | 87.9 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | trans | -73.8 | -36.1 | -176.6 | 53 | 0 | 0 | 0 | 0 | 114.1 | D1538 Q1540 R1631 | S1536-D1538 PolarHBondContact O-N 2.81Å; S1536-D1538 PolarHBondContact OG-N 3.19Å; S1536-D1538 PolarHBondContact OG-O 3.05Å; S1536-D1538 VanDerWaalsContact OG-O 3.1Å; S1536-Q1540 WeakPolarHBondContact CB-O 3.25Å; S1536-Q1540 PolarHBondContact OG-O 3.01Å; S1536-R1631 PolarHBondContact N-O 3.37Å; S1536-R1631 PolarHBondContact OG-N 3.03Å; S1536-R1631 PolarHBondContact OG-O 2.98Å | ||
| 1537 | Q | 96 | Very high | 90.2 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 57.3 | 28.6 | -158 | -54.8 | 170.6 | -102.3 | 0 | 0 | 112 | L1609 T1611 L1612 S1630 H1692 | Q1537-L1609 HydrophobicContact CG-CD2 3.8Å; Q1537-T1611 CarbonylContact O-C 3.59Å; Q1537-T1611 WeakPolarHBondContact O-CA 3.42Å; Q1537-L1612 HydrophobicContact CB-CD2 4.36Å; Q1537-L1612 HydrophobicContact CB-CG 4.32Å; Q1537-L1612 PolarHBondContact O-N 3.13Å; Q1537-S1630 WeakPolarHBondContact CA-OG 3.39Å; Q1537-S1630 PolarHBondContact N-OG 2.81Å; Q1537-S1630 VanDerWaalsContact N-OG 3.08Å; Q1537-H1692 PolarHBondContact NE2-O 2.98Å; Q1537-H1692 PolarHBondContact OE1-O 3.08Å |
| 1538 | D | 96.5 | Very high | 92.1 | Very high | 74 Ų | 74 | 53.3 Ų | 53.3 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -129.4 | 163.6 | 173.9 | -160.3 | -74.5 | 0 | 0 | 0 | 111.1 | S1536 Q1540 S1630 R1631 | S1536-D1538 PolarHBondContact O-N 2.81Å; S1536-D1538 PolarHBondContact OG-N 3.19Å; S1536-D1538 PolarHBondContact OG-O 3.05Å; S1536-D1538 VanDerWaalsContact OG-O 3.1Å; D1538-Q1540 PolarHBondContact O-N 3.4Å; D1538-Q1540 PolarHBondContact OD1-N 3.49Å; D1538-S1630 CarbonylContact O-C 3.58Å; D1538-S1630 WeakPolarHBondContact O-CA 3.29Å; D1538-R1631 PolarHBondContact O-N 2.73Å |
| 1539 | S | 95.7 | Very high | 93.7 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -65.1 | -16.2 | 168.1 | 69.7 | 0 | 0 | 0 | 0 | 114.3 | R1631 | S1539-R1631 WeakPolarHBondContact O-CG 3.46Š|
| 1540 | Q | 96.4 | Very high | 94.6 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -108.4 | 143.3 | 176.7 | -62.4 | -67.8 | 11.2 | 0 | 0 | 112.3 | S1536 D1538 R1631 | S1536-Q1540 WeakPolarHBondContact CB-O 3.25Å; S1536-Q1540 PolarHBondContact OG-O 3.01Å; D1538-Q1540 PolarHBondContact O-N 3.4Å; D1538-Q1540 PolarHBondContact OD1-N 3.49Å; Q1540-R1631 WeakPolarHBondContact O-CB 3.27Å |
| 1541 | P | 96.7 | Very high | 94.9 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 29% | 0.292 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 143.7 | 176.9 | -18.6 | 31.1 | 0 | 0 | 0 | 112.6 | T1553 R1631 | P1541-T1553 HydrophobicContact CB-CG2 3.6Å; P1541-T1553 HydrophobicContact CG-CG2 3.92Å; P1541-R1631 HydrophobicContact CB-CB 4.32Å; P1541-R1631 HydrophobicContact CG-CB 4.25Å; P1541-R1631 HydrophobicContact CG-CG 4.47Å |
| 1542 | P | 96 | Very high | 95 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 164.2 | 171.7 | 33.6 | -29.1 | 0 | 0 | 0 | 110.4 | V1534 I1633 | V1534-P1542 HydrophobicContact CB-CG 4.15Å; V1534-P1542 HydrophobicContact CG1-CB 4.21Å; V1534-P1542 HydrophobicContact CG1-CG 3.99Å; V1534-P1542 WeakPolarHBondContact O-CG 3.27Å; P1542-I1633 HydrophobicContact CG-CB 4.47Å; P1542-I1633 HydrophobicContact CG-CG2 3.87Å; P1542-I1633 WeakPolarHBondContact O-CG2 3.33Å |
| 1543 | S | 96.5 | Very high | 95.2 | Very high | 107 Ų | 107 | 56 Ų | 56 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 155.2 | 170.8 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1544 | C | 96.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 144 | 171.5 | -75.1 | 0 | 0 | 0 | 0 | 111.4 | T1548 P1550 C1635 | C1544-T1548 WeakPolarHBondContact CB-OG1 3.23Å; C1544-P1550 VanDerWaalsContact SG-CA 3.54Å; C1544-C1635 WeakPolarHBondContact CA-SG 3.38Å; C1544-C1635 HydrophobicContact CB-CB 3.96Å; C1544-C1635 WeakPolarHBondContact CB-SG 3.34Å; C1544-C1635 WeakPolarHBondContact SG-CB 3.41Å; C1544-C1635 CovalentContact SG-SG 2.04Å; C1544-C1635 PolarHBondContact SG-SG 2.8Å |
| 1545 | P | 92.7 | Very high | 95.2 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 14% | 0.143 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 157.6 | 171.9 | -27.1 | 34.7 | 0 | 0 | 0 | 113.9 | F1532 V1534 T1548 A1662 W1663 | F1532-P1545 HydrophobicContact CE2-CG 4.04Å; F1532-P1545 HydrophobicContact CZ-CG 4.06Å; V1534-P1545 HydrophobicContact CG2-CG 4.42Å; P1545-T1548 WeakPolarHBondContact CD-OG1 3.38Å; P1545-T1548 PolarHBondContact O-N 3Å; P1545-T1548 PolarHBondContact O-OG1 3.22Å; P1545-A1662 HydrophobicContact CB-CB 4.21Å; P1545-A1662 HydrophobicContact CG-CB 4.23Å; P1545-W1663 HydrophobicContact CG-CE3 4.05Å; P1545-W1663 HydrophobicContact CG-CZ3 4.06Å |
| 1546 | I | 89.3 | Confident | 95.2 | Very high | 129 Ų | 129 | 57.8 Ų | 57.8 | 66% | 0.662 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 140.9 | -176.8 | -48.6 | 179.6 | 0 | 0 | 0 | 110.4 | T1548 R1753 | I1546-T1548 PolarHBondContact O-N 2.81Å; I1546-R1753 PolarHBondContact O-NH2 3.24Å |
| 1547 | Y | 86.7 | Confident | 95.2 | Very high | 177 Ų | 177 | 57.5 Ų | 57.5 | 69% | 0.694 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 30.2 | -172.4 | -33.7 | -69.5 | 0 | 0 | 0 | 114.4 | R1753 | Y1547-R1753 PolarHBondContact O-NH1 3.27Š|
| 1548 | T | 91.2 | Very high | 95 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | trans | -124 | 145.1 | 165.4 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | F1532 C1544 P1545 I1546 Q1636 | F1532-T1548 HydrophobicContact CE1-CG2 3.8Å; F1532-T1548 HydrophobicContact CZ-CG2 3.8Å; C1544-T1548 WeakPolarHBondContact CB-OG1 3.23Å; P1545-T1548 WeakPolarHBondContact CD-OG1 3.38Å; P1545-T1548 PolarHBondContact O-N 3Å; P1545-T1548 PolarHBondContact O-OG1 3.22Å; I1546-T1548 PolarHBondContact O-N 2.81Å; T1548-Q1636 CarbonylContact C-O 3.39Å; T1548-Q1636 VanDerWaalsContact CA-O 3.27Å; T1548-Q1636 WeakPolarHBondContact CA-O 3.04Å; T1548-Q1636 VanDerWaalsContact CB-O 3.23Å; T1548-Q1636 WeakPolarHBondContact CB-O 3.06Å | ||
| 1549 | T | 92.7 | Very high | 94.7 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 47% | 0.466 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.8 | -174.5 | 42.2 | 0 | 0 | 0 | 0 | 111.6 | C1635 Q1636 | T1549-C1635 CarbonylContact O-C 3.57Å; T1549-C1635 VanDerWaalsContact O-CA 3.26Å; T1549-C1635 WeakPolarHBondContact O-CA 3.22Å; T1549-Q1636 PolarHBondContact N-O 3.49Å; T1549-Q1636 PolarHBondContact O-N 3.41Å |
| 1550 | P | 95.9 | Very high | 94.4 | Very high | 90 Ų | 90 | 53.7 Ų | 53.7 | 58% | 0.584 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 132.4 | 178.2 | 30.4 | -34.3 | 0 | 0 | 0 | 111.8 | C1544 I1633 | C1544-P1550 VanDerWaalsContact SG-CA 3.54Å; P1550-I1633 HydrophobicContact CB-CD1 3.84Å; P1550-I1633 HydrophobicContact CB-CG1 4.47Å |
| 1551 | I | 95.9 | Very high | 94 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 43% | 0.431 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -49.7 | -178.6 | -51.2 | -58.2 | 0 | 0 | 0 | 111.5 | L1531 V1634 Q1636 | L1531-I1551 HydrophobicContact CD2-CG1 4.06Å; I1551-V1634 HydrophobicContact CB-CG1 4.47Å; I1551-V1634 WeakPolarHBondContact CB-O 3.29Å; I1551-V1634 PolarHBondContact N-O 3.18Å; I1551-Q1636 HydrophobicContact CD1-CB 3.82Å; I1551-Q1636 HydrophobicContact CG1-CB 3.99Å |
| 1552 | Y | 97 | Very high | 93.2 | Very high | 66 Ų | 66 | 47.1 Ų | 47.1 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 161.4 | 170.6 | 66 | -101.4 | 0 | 0 | 0 | 112.5 | P1574 C1577 R1579 I1633 V1634 | Y1552-P1574 PolarHBondContact OH-O 3.4Å; Y1552-C1577 HydrophobicContact CE2-CB 4.05Å; Y1552-C1577 VanDerWaalsContact CE2-O 3.24Å; Y1552-C1577 WeakPolarHBondContact CE2-O 3.34Å; Y1552-C1577 PolarHBondContact OH-O 3.3Å; Y1552-R1579 HydrophobicContact CD2-CG 3.44Å; Y1552-R1579 VanDerWaalsContact CD2-CG 3.44Å; Y1552-R1579 HydrophobicContact CE2-CG 3.71Å; Y1552-R1579 HydrophobicContact CG-CG 4.01Å; Y1552-I1633 CarbonylContact O-C 3.48Å; Y1552-I1633 WeakPolarHBondContact O-CA 3.44Å; Y1552-I1633 WeakPolarHBondContact O-CG1 2.94Å; Y1552-V1634 HydrophobicContact CD1-CB 4.32Å; Y1552-V1634 HydrophobicContact CD2-CG2 4.27Å; Y1552-V1634 HydrophobicContact CE1-CB 4.07Å; Y1552-V1634 HydrophobicContact CE1-CG1 4.45Å; Y1552-V1634 HydrophobicContact CE1-CG2 3.93Å; Y1552-V1634 HydrophobicContact CE2-CB 4.33Å; Y1552-V1634 HydrophobicContact CE2-CG2 3.62Å; Y1552-V1634 VanDerWaalsContact CZ-CG2 3.44Å; Y1552-V1634 PolarHBondContact O-N 2.04Å |
| 1553 | T | 98.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 154.3 | 169.5 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | P1541 R1631 C1632 I1633 | P1541-T1553 HydrophobicContact CB-CG2 3.6Å; P1541-T1553 HydrophobicContact CG-CG2 3.92Å; T1553-R1631 PolarHBondContact OG1-NH2 3.19Å; T1553-C1632 CarbonylContact C-O 3.5Å; T1553-C1632 VanDerWaalsContact CA-O 3.25Å; T1553-C1632 WeakPolarHBondContact CA-O 3.38Å; T1553-C1632 WeakPolarHBondContact CB-O 3.39Å; T1553-I1633 HydrophobicContact CG2-CB 4.18Å; T1553-I1633 HydrophobicContact CG2-CD1 3.94Å; T1553-I1633 HydrophobicContact CG2-CG1 3.85Å |
| 1554 | G | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | -166.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1578 R1631 C1632 | G1554-L1578 CarbonylContact C-O 3.54Å; G1554-L1578 WeakPolarHBondContact CA-O 3.42Å; G1554-R1631 WeakPolarHBondContact O-CA 3.5Å; G1554-R1631 PolarHBondContact O-NE 2.89Å; G1554-R1631 PolarHBondContact O-NH1 2.82Å; G1554-C1632 PolarHBondContact N-O 2.92Å; G1554-C1632 PolarHBondContact O-N 2.9Å; G1554-C1632 PolarHBondContact O-SG 2.94Å; G1554-C1632 VanDerWaalsContact O-SG 3.39Å |
| 1555 | Y | 98.1 | Very high | 90.2 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 22% | 0.216 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.8 | 175.4 | -60.4 | -90.1 | 0 | 0 | 0 | 110 | L1557 L1578 F1581 I1629 R1631 C1632 | Y1555-L1557 PolarHBondContact O-N 2.85Å; Y1555-L1578 PolarHBondContact N-O 3.23Å; Y1555-L1578 PolarHBondContact O-N 2.78Å; Y1555-F1581 HydrophobicContact CD1-CB 3.96Å; Y1555-F1581 HydrophobicContact CD2-CB 3.56Å; Y1555-F1581 HydrophobicContact CE1-CB 4.03Å; Y1555-F1581 HydrophobicContact CE2-CB 3.63Å; Y1555-F1581 HydrophobicContact CG-CB 3.7Å; Y1555-I1629 HydrophobicContact CD1-CB 4.29Å; Y1555-I1629 HydrophobicContact CD1-CG2 3.76Å; Y1555-I1629 HydrophobicContact CG-CG2 4.37Å; Y1555-R1631 VanDerWaalsContact CE1-NH1 3.32Å; Y1555-R1631 VanDerWaalsContact CG-NH1 3.31Å; Y1555-C1632 VanDerWaalsContact C-SG 3.54Å |
| 1556 | S | 97.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 95.8 | -170.8 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | H1535 S1576 W1608 L1609 S1630 R1631 | H1535-S1556 WeakPolarHBondContact ND1-CB 3.14Å; H1535-S1556 PolarHBondContact ND1-OG 2.95Å; S1556-S1576 CarbonylContact C-O 3.44Å; S1556-W1608 CarbonylContact O-C 3.25Å; S1556-W1608 VanDerWaalsContact O-CA 3.25Å; S1556-W1608 WeakPolarHBondContact O-CA 3.47Å; S1556-L1609 VanDerWaalsContact CB-CB 3.5Å; S1556-L1609 PolarHBondContact O-N 3.07Å; S1556-S1630 WeakPolarHBondContact CB-O 3.5Å; S1556-S1630 PolarHBondContact N-O 3.17Å; S1556-S1630 VanDerWaalsContact OG-C 3.32Å; S1556-S1630 WeakPolarHBondContact OG-CB 3.42Å; S1556-S1630 PolarHBondContact OG-O 2.67Å; S1556-S1630 PolarHBondContact OG-OG 3.49Å; S1556-R1631 PolarHBondContact OG-O 2.77Å |
| 1557 | L | 95.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 133 | 172.8 | 175.1 | 64.4 | 0 | 0 | 0 | 110.6 | Y1555 L1560 M1569 L1571 S1576 L1578 W1608 | Y1555-L1557 PolarHBondContact O-N 2.85Å; L1557-L1560 HydrophobicContact CD1-CD2 3.51Å; L1557-L1560 HydrophobicContact CD1-CG 4.04Å; L1557-L1560 HydrophobicContact CD2-CD1 4.12Å; L1557-L1560 HydrophobicContact CD2-CD2 4.11Å; L1557-L1560 HydrophobicContact CD2-CG 4Å; L1557-L1560 HydrophobicContact CG-CD2 4.45Å; L1557-M1569 HydrophobicContact CD2-CG 3.75Å; L1557-M1569 HydrophobicContact CG-CG 3.98Å; L1557-L1571 WeakPolarHBondContact O-CD2 3.49Å; L1557-S1576 PolarHBondContact N-O 2.86Å; L1557-L1578 HydrophobicContact CB-CD1 4.31Å; L1557-L1578 HydrophobicContact CB-CG 4.36Å; L1557-L1578 HydrophobicContact CD2-CD1 3.7Å; L1557-L1578 HydrophobicContact CD2-CG 4.18Å; L1557-W1608 HydrophobicContact CB-CE3 4.16Å; L1557-W1608 HydrophobicContact CB-CH2 4.48Å; L1557-W1608 HydrophobicContact CB-CZ3 4Å; L1557-W1608 HydrophobicContact CD1-CD2 4.47Å; L1557-W1608 HydrophobicContact CD1-CZ2 4.42Å |
| 1558 | V | 93.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -58.7 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | T1568 M1569 L1571 Y1607 L1609 F1698 | V1558-T1568 CarbonylContact O-C 3.4Å; V1558-T1568 WeakPolarHBondContact O-CA 3.05Å; V1558-T1568 WeakPolarHBondContact O-CG2 3.33Å; V1558-M1569 PolarHBondContact O-N 3.05Å; V1558-L1571 HydrophobicContact CG2-CD2 4.17Å; V1558-Y1607 WeakPolarHBondContact CA-O 3.18Å; V1558-Y1607 WeakPolarHBondContact CB-O 3.41Å; V1558-Y1607 PolarHBondContact N-O 3.28Å; V1558-L1609 HydrophobicContact CG2-CB 3.9Å; V1558-L1609 HydrophobicContact CG2-CD1 3.91Å; V1558-F1698 HydrophobicContact CG2-CB 4.36Å |
| 1559 | T | 90.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 143.2 | -173.7 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | T1567 T1568 Y1607 | T1559-T1567 CarbonylContact C-O 3.56Å; T1559-T1567 WeakPolarHBondContact CA-O 3.36Å; T1559-T1568 VanDerWaalsContact CG2-OG1 3.3Å; T1559-T1568 WeakPolarHBondContact CG2-OG1 3.44Å; T1559-T1568 PolarHBondContact OG1-OG1 2.81Å; T1559-Y1607 HydrophobicContact CG2-CD2 4.08Å; T1559-Y1607 PolarHBondContact N-O 2.93Å; T1559-Y1607 VanDerWaalsContact N-O 3.11Å; T1559-Y1607 PolarHBondContact O-N 2.84Å |
| 1560 | L | 89 | Confident | 90 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.9 | 165.6 | -59.4 | 179 | 0 | 0 | 0 | 108.8 | L1557 S1566 T1567 P1585 F1586 | L1557-L1560 HydrophobicContact CD1-CD2 3.51Å; L1557-L1560 HydrophobicContact CD1-CG 4.04Å; L1557-L1560 HydrophobicContact CD2-CD1 4.12Å; L1557-L1560 HydrophobicContact CD2-CD2 4.11Å; L1557-L1560 HydrophobicContact CD2-CG 4Å; L1557-L1560 HydrophobicContact CG-CD2 4.45Å; L1560-S1566 CarbonylContact O-C 3.54Å; L1560-S1566 VanDerWaalsContact O-CA 3.29Å; L1560-S1566 WeakPolarHBondContact O-CA 3.41Å; L1560-T1567 PolarHBondContact N-O 3.37Å; L1560-T1567 PolarHBondContact O-N 2.78Å; L1560-P1585 HydrophobicContact CD1-CG 4.39Å; L1560-P1585 HydrophobicContact CD2-CG 3.44Å; L1560-P1585 VanDerWaalsContact CD2-CG 3.44Å; L1560-F1586 HydrophobicContact CB-CD1 4.14Å; L1560-F1586 HydrophobicContact CB-CE1 3.99Å; L1560-F1586 HydrophobicContact CD1-CD1 3.95Å; L1560-F1586 HydrophobicContact CD2-CD1 3.93Å; L1560-F1586 HydrophobicContact CD2-CE1 4.08Å; L1560-F1586 HydrophobicContact CG-CD1 4.23Å; L1560-F1586 HydrophobicContact CG-CE1 4.45Å |
| 1561 | Q | 86.5 | Confident | 90 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.2 | 174.1 | 179 | -175.2 | -17.8 | 0 | 0 | 109.7 | D1564 D1565 F1586 G1604 R1605 Y1607 S1675 | Q1561-D1564 PolarHBondContact NE2-OD1 3.15Å; Q1561-D1564 VanDerWaalsContact NE2-OD1 3.13Å; Q1561-D1565 CarbonylContact C-O 3.4Å; Q1561-D1565 VanDerWaalsContact CA-O 3.26Å; Q1561-D1565 WeakPolarHBondContact CA-O 3.45Å; Q1561-D1565 WeakPolarHBondContact CG-O 3.42Å; Q1561-F1586 WeakPolarHBondContact O-CZ 3.24Å; Q1561-G1604 CarbonylContact O-C 3.03Å; Q1561-G1604 VanDerWaalsContact O-CA 3.27Å; Q1561-G1604 WeakPolarHBondContact O-CA 3.07Å; Q1561-R1605 HydrophobicContact CB-CB 4.18Å; Q1561-R1605 HydrophobicContact CB-CG 4.49Å; Q1561-R1605 PolarHBondContact N-O 2.89Å; Q1561-R1605 PolarHBondContact O-N 3.08Å; Q1561-Y1607 HydrophobicContact CB-CE2 4.14Å; Q1561-Y1607 PolarHBondContact OE1-OH 3.15Å; Q1561-S1675 PolarHBondContact OE1-OG 3.39Å |
| 1562 | G | 81.3 | Confident | 90 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 123.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1564 D1565 | G1562-D1564 PolarHBondContact O-N 3.07Å; G1562-D1565 PolarHBondContact N-O 2.82Å; G1562-D1565 PolarHBondContact O-N 2.79Å |
| 1563 | N | 75.7 | Confident | 89.9 | Confident | 67 Ų | 67 | 36.4 Ų | 36.4 | 36% | 0.358 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 36.7 | -174.2 | -44.3 | -49.7 | 0 | 0 | 0 | 113.2 | D1565 N1588 R1602 | N1563-D1565 PolarHBondContact O-N 3.43Å; N1563-D1565 VanDerWaalsContact O-N 3.11Å; N1563-N1588 PolarHBondContact ND2-ND2 3.46Å; N1563-N1588 PolarHBondContact OD1-ND2 3.35Å; N1563-N1588 VanDerWaalsContact OD1-ND2 3.08Å; N1563-R1602 WeakPolarHBondContact OD1-CD 3.37Å; N1563-R1602 PolarHBondContact OD1-NH1 3.12Å |
| 1564 | D | 71.4 | Confident | 89.8 | Confident | 109 Ų | 109 | 35.4 Ų | 35.4 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 7.2 | -177.8 | -51.9 | -45.8 | 0 | 0 | 0 | 116.3 | Q1561 G1562 N1677 | Q1561-D1564 PolarHBondContact NE2-OD1 3.15Å; Q1561-D1564 VanDerWaalsContact NE2-OD1 3.13Å; G1562-D1564 PolarHBondContact O-N 3.07Å; D1564-N1677 PolarHBondContact O-ND2 2.95Å |
| 1565 | D | 77.4 | Confident | 89.7 | Confident | 115 Ų | 115 | 36.8 Ų | 36.8 | 62% | 0.615 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 152.7 | 160.2 | -157.6 | -15.3 | 0 | 0 | 0 | 109.7 | Q1561 G1562 N1563 | Q1561-D1565 CarbonylContact C-O 3.4Å; Q1561-D1565 VanDerWaalsContact CA-O 3.26Å; Q1561-D1565 WeakPolarHBondContact CA-O 3.45Å; Q1561-D1565 WeakPolarHBondContact CG-O 3.42Å; G1562-D1565 PolarHBondContact N-O 2.82Å; G1562-D1565 PolarHBondContact O-N 2.79Å; N1563-D1565 PolarHBondContact O-N 3.43Å; N1563-D1565 VanDerWaalsContact O-N 3.11Å |
| 1566 | S | 83.4 | Confident | 89.6 | Confident | 33 Ų | 33 | 34.1 Ų | 34.1 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 123.2 | -175.6 | 62.9 | 0 | 0 | 0 | 0 | 114.7 | L1560 | L1560-S1566 CarbonylContact O-C 3.54Å; L1560-S1566 VanDerWaalsContact O-CA 3.29Å; L1560-S1566 WeakPolarHBondContact O-CA 3.41Å |
| 1567 | T | 88 | Confident | 89.7 | Confident | 91 Ų | 91 | 34.2 Ų | 34.2 | 56% | 0.558 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.4 | 173.9 | -51.4 | 0 | 0 | 0 | 0 | 109.6 | T1559 L1560 | T1559-T1567 CarbonylContact C-O 3.56Å; T1559-T1567 WeakPolarHBondContact CA-O 3.36Å; L1560-T1567 PolarHBondContact N-O 3.37Å; L1560-T1567 PolarHBondContact O-N 2.78Å |
| 1568 | T | 89.3 | Confident | 89.8 | Confident | 36 Ų | 36 | 36.7 Ų | 36.7 | 22% | 0.221 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.1 | 174.2 | -70 | 0 | 0 | 0 | 0 | 110.3 | V1558 T1559 G1678 G1679 | V1558-T1568 CarbonylContact O-C 3.4Å; V1558-T1568 WeakPolarHBondContact O-CA 3.05Å; V1558-T1568 WeakPolarHBondContact O-CG2 3.33Å; T1559-T1568 VanDerWaalsContact CG2-OG1 3.3Å; T1559-T1568 WeakPolarHBondContact CG2-OG1 3.44Å; T1559-T1568 PolarHBondContact OG1-OG1 2.81Å; T1568-G1678 PolarHBondContact OG1-O 3.05Å; T1568-G1679 WeakPolarHBondContact OG1-CA 3.37Å; T1568-G1679 PolarHBondContact OG1-N 3.36Å |
| 1569 | M | 92.3 | Very high | 89.9 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 142.4 | 175 | -51.5 | -52.8 | -70.8 | 0 | 0 | 109.5 | L1557 V1558 L1571 G1575 Q1681 | L1557-M1569 HydrophobicContact CD2-CG 3.75Å; L1557-M1569 HydrophobicContact CG-CG 3.98Å; V1558-M1569 PolarHBondContact O-N 3.05Å; M1569-L1571 PolarHBondContact O-N 3.06Å; M1569-G1575 WeakPolarHBondContact CE-O 3.47Å; M1569-Q1681 PolarHBondContact O-NE2 3.01Å |
| 1570 | D | 95.1 | Very high | 90.1 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 119 | 165.5 | 177.6 | -5.8 | 0 | 0 | 0 | 108.9 | G1572 T1573 S1685 | D1570-G1572 PolarHBondContact O-N 2.58Å; D1570-G1572 PolarHBondContact OD1-N 2.93Å; D1570-T1573 HydrophobicContact CB-CG2 3.77Å; D1570-T1573 PolarHBondContact O-N 2.96Å; D1570-T1573 PolarHBondContact O-OG1 3.39Å; D1570-S1685 WeakPolarHBondContact OD1-CB 3.17Å; D1570-S1685 PolarHBondContact OD1-OG 3.12Å; D1570-S1685 VanDerWaalsContact OD2-CB 3.29Å; D1570-S1685 WeakPolarHBondContact OD2-CB 3.1Å; D1570-S1685 PolarHBondContact OD2-OG 2.83Å |
| 1571 | L | 96.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.3 | -179.3 | -65.3 | 175.8 | 0 | 0 | 0 | 113 | T1533 H1535 L1557 V1558 M1569 T1573 S1576 L1609 F1668 Q1681 L1690 | T1533-L1571 WeakPolarHBondContact CB-O 3.31Å; H1535-L1571 PolarHBondContact CD2-O 2.91Å; H1535-L1571 WeakPolarHBondContact NE2-CD2 3.49Å; H1535-L1571 PolarHBondContact NE2-O 2.95Å; L1557-L1571 WeakPolarHBondContact O-CD2 3.49Å; V1558-L1571 HydrophobicContact CG2-CD2 4.17Å; M1569-L1571 PolarHBondContact O-N 3.06Å; L1571-T1573 VanDerWaalsContact C-N 3.32Å; L1571-S1576 PolarHBondContact O-OG 3.1Å; L1571-L1609 HydrophobicContact CD1-CD1 4.05Å; L1571-F1668 HydrophobicContact CD1-CD1 4.19Å; L1571-F1668 HydrophobicContact CD1-CE1 3.77Å; L1571-Q1681 VanDerWaalsContact CB-OE1 3.25Å; L1571-Q1681 VanDerWaalsContact CG-OE1 3.27Å; L1571-L1690 HydrophobicContact CD1-CD2 4.27Å |
| 1572 | G | 95.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -16.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1532 T1533 D1570 S1685 | F1532-G1572 CarbonylContact C-O 3.36Å; F1532-G1572 VanDerWaalsContact CA-O 3.29Å; F1532-G1572 WeakPolarHBondContact CA-O 3.24Å; T1533-G1572 PolarHBondContact N-O 3Å; D1570-G1572 PolarHBondContact O-N 2.58Å; D1570-G1572 PolarHBondContact OD1-N 2.93Å; G1572-S1685 WeakPolarHBondContact CA-OG 3.11Å |
| 1573 | T | 95.9 | Very high | 91 | Very high | 50 Ų | 50 | 56 Ų | 56 | 31% | 0.307 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -97.8 | 154.5 | -173.2 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | T1533 D1570 L1571 G1575 S1576 | T1533-T1573 PolarHBondContact OG1-O 2.67Å; D1570-T1573 HydrophobicContact CB-CG2 3.77Å; D1570-T1573 PolarHBondContact O-N 2.96Å; D1570-T1573 PolarHBondContact O-OG1 3.39Å; L1571-T1573 VanDerWaalsContact C-N 3.32Å; T1573-G1575 PolarHBondContact O-N 3.24Å; T1573-S1576 PolarHBondContact O-N 3.09Å; T1573-S1576 VanDerWaalsContact O-N 3.15Å; T1573-S1576 PolarHBondContact O-OG 3.12Å |
| 1574 | P | 96.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -55.4 | -22.2 | 175.2 | -28.9 | 37 | 0 | 0 | 0 | 115.1 | L1531 T1533 Y1552 S1576 C1577 V1634 | L1531-P1574 HydrophobicContact CB-CG 3.61Å; L1531-P1574 HydrophobicContact CD1-CG 4.22Å; T1533-P1574 WeakPolarHBondContact OG1-CA 3.34Å; Y1552-P1574 PolarHBondContact OH-O 3.4Å; P1574-S1576 VanDerWaalsContact C-N 3.29Å; P1574-S1576 PolarHBondContact O-N 2.85Å; P1574-C1577 PolarHBondContact O-N 3.37Å; P1574-C1577 VanDerWaalsContact O-N 3.07Å; P1574-V1634 HydrophobicContact CB-CG1 4.12Å; P1574-V1634 HydrophobicContact CB-CG2 4.11Å; P1574-V1634 HydrophobicContact CG-CG1 3.92Å |
| 1575 | G | 94.9 | Very high | 92.5 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -66.4 | -25.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1569 T1573 C1577 | M1569-G1575 WeakPolarHBondContact CE-O 3.47Å; T1573-G1575 PolarHBondContact O-N 3.24Å; G1575-C1577 PolarHBondContact O-N 2.26Å |
| 1576 | S | 97 | Very high | 93 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -72.9 | -12.8 | 171.9 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | H1535 S1556 L1557 L1571 T1573 P1574 | H1535-S1576 PolarHBondContact CE1-OG 3.1Å; H1535-S1576 VanDerWaalsContact CE1-OG 3.24Å; H1535-S1576 WeakPolarHBondContact NE2-CB 3.48Å; H1535-S1576 PolarHBondContact NE2-OG 3.48Å; S1556-S1576 CarbonylContact C-O 3.44Å; L1557-S1576 PolarHBondContact N-O 2.86Å; L1571-S1576 PolarHBondContact O-OG 3.1Å; T1573-S1576 PolarHBondContact O-N 3.09Å; T1573-S1576 VanDerWaalsContact O-N 3.15Å; T1573-S1576 PolarHBondContact O-OG 3.12Å; P1574-S1576 VanDerWaalsContact C-N 3.29Å; P1574-S1576 PolarHBondContact O-N 2.85Å |
| 1577 | C | 98 | Very high | 93.1 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 89.2 | -173.8 | -160.5 | 0 | 0 | 0 | 0 | 111.9 | T1533 Y1552 P1574 G1575 C1632 V1634 | T1533-C1577 HydrophobicContact CG2-CB 3.87Å; Y1552-C1577 HydrophobicContact CE2-CB 4.05Å; Y1552-C1577 VanDerWaalsContact CE2-O 3.24Å; Y1552-C1577 WeakPolarHBondContact CE2-O 3.34Å; Y1552-C1577 PolarHBondContact OH-O 3.3Å; P1574-C1577 PolarHBondContact O-N 3.37Å; P1574-C1577 VanDerWaalsContact O-N 3.07Å; G1575-C1577 PolarHBondContact O-N 2.26Å; C1577-C1632 WeakPolarHBondContact CA-SG 3.13Å; C1577-C1632 HydrophobicContact CB-CB 3.97Å; C1577-C1632 WeakPolarHBondContact CB-SG 3.36Å; C1577-C1632 VanDerWaalsContact SG-C 3.57Å; C1577-C1632 WeakPolarHBondContact SG-CB 3.19Å; C1577-C1632 CovalentContact SG-SG 2.04Å; C1577-C1632 PolarHBondContact SG-SG 2.86Å; C1577-V1634 HydrophobicContact CB-CG2 3.69Å |
| 1578 | L | 97.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 45 Ų | 45 | 29% | 0.293 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.9 | 178.6 | -71.9 | -175.5 | 0 | 0 | 0 | 111.5 | G1554 Y1555 L1557 K1580 P1585 W1608 | G1554-L1578 CarbonylContact C-O 3.54Å; G1554-L1578 WeakPolarHBondContact CA-O 3.42Å; Y1555-L1578 PolarHBondContact N-O 3.23Å; Y1555-L1578 PolarHBondContact O-N 2.78Å; L1557-L1578 HydrophobicContact CB-CD1 4.31Å; L1557-L1578 HydrophobicContact CB-CG 4.36Å; L1557-L1578 HydrophobicContact CD2-CD1 3.7Å; L1557-L1578 HydrophobicContact CD2-CG 4.18Å; L1578-K1580 PolarHBondContact O-N 2.88Å; L1578-P1585 HydrophobicContact CD1-CB 4.05Å; L1578-P1585 HydrophobicContact CD1-CG 4.37Å; L1578-W1608 HydrophobicContact CB-CH2 4.18Å; L1578-W1608 HydrophobicContact CB-CZ3 4.21Å; L1578-W1608 HydrophobicContact CD1-CH2 3.72Å; L1578-W1608 HydrophobicContact CD1-CZ3 4.33Å; L1578-W1608 HydrophobicContact CG-CH2 4.49Å |
| 1579 | R | 96.6 | Very high | 92.2 | Very high | 183 Ų | 183 | 46.7 Ų | 46.7 | 69% | 0.691 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -57.4 | -19.2 | 177.6 | -67 | -175.4 | 68.7 | -169.2 | 4.2 | 114.4 | Y1552 | Y1552-R1579 HydrophobicContact CD2-CG 3.44Å; Y1552-R1579 VanDerWaalsContact CD2-CG 3.44Å; Y1552-R1579 HydrophobicContact CE2-CG 3.71Å; Y1552-R1579 HydrophobicContact CG-CG 4.01Å |
| 1580 | K | 94.3 | Very high | 91.1 | Very high | 178 Ų | 178 | 47.8 Ų | 47.8 | 77% | 0.774 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -129.8 | 132 | 174.8 | -66.2 | -174.1 | 177.8 | -175.7 | 0 | 110.1 | L1578 | L1578-K1580 PolarHBondContact O-N 2.88Š|
| 1581 | F | 93.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 50 Ų | 50 | 18% | 0.184 | 28% | 0.278 | C | S | . | . | trans | -78.7 | 148.4 | 169.3 | 176.9 | -105.9 | 0 | 0 | 0 | 110.7 | Y1555 I1583 W1608 V1622 I1625 I1629 | Y1555-F1581 HydrophobicContact CD1-CB 3.96Å; Y1555-F1581 HydrophobicContact CD2-CB 3.56Å; Y1555-F1581 HydrophobicContact CE1-CB 4.03Å; Y1555-F1581 HydrophobicContact CE2-CB 3.63Å; Y1555-F1581 HydrophobicContact CG-CB 3.7Å; F1581-I1583 HydrophobicContact CE1-CG2 4.48Å; F1581-W1608 AromaticContact CD2-CD2 3.7Å; F1581-W1608 HydrophobicContact CD2-CD2 3.7Å; F1581-W1608 AromaticContact CD2-CE2 3.61Å; F1581-W1608 AromaticContact CD2-CE3 3.89Å; F1581-W1608 HydrophobicContact CD2-CE3 3.89Å; F1581-W1608 HydrophobicContact CD2-CG 4.34Å; F1581-W1608 AromaticContact CD2-CH2 3.93Å; F1581-W1608 HydrophobicContact CD2-CH2 3.93Å; F1581-W1608 AromaticContact CD2-CZ2 3.74Å; F1581-W1608 HydrophobicContact CD2-CZ2 3.74Å; F1581-W1608 HydrophobicContact CD2-CZ3 4.01Å; F1581-W1608 AromaticContact CE2-CD1 3.75Å; F1581-W1608 AromaticContact CE2-CD2 3.63Å; F1581-W1608 HydrophobicContact CE2-CD2 3.63Å; F1581-W1608 AromaticContact CE2-CE2 3.49Å; F1581-W1608 VanDerWaalsContact CE2-CE2 3.49Å; F1581-W1608 HydrophobicContact CE2-CE3 4.27Å; F1581-W1608 AromaticContact CE2-CG 3.82Å; F1581-W1608 HydrophobicContact CE2-CG 3.82Å; F1581-W1608 HydrophobicContact CE2-CZ2 4.04Å; F1581-W1608 AromaticContact CE2-NE1 3.54Å; F1581-V1622 HydrophobicContact CE1-CG2 4.11Å; F1581-I1625 HydrophobicContact CD1-CG2 4.4Å; F1581-I1625 HydrophobicContact CE1-CG2 3.48Å; F1581-I1625 VanDerWaalsContact CE1-CG2 3.48Å; F1581-I1625 HydrophobicContact CZ-CG2 3.72Å; F1581-I1629 HydrophobicContact CD2-CD1 4.47Å; F1581-I1629 HydrophobicContact CD2-CG1 4.12Å; F1581-I1629 HydrophobicContact CD2-CG2 3.95Å; F1581-I1629 HydrophobicContact CE2-CD1 3.61Å; F1581-I1629 HydrophobicContact CE2-CG1 3.67Å; F1581-I1629 HydrophobicContact CE2-CG2 4.1Å; F1581-I1629 HydrophobicContact CZ-CD1 3.84Å; F1581-I1629 HydrophobicContact CZ-CG1 3.9Å | ||
| 1582 | S | 90.8 | Very high | 87.7 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | trans | -155.7 | 145.5 | 164.5 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | M1584 W1608 | S1582-M1584 PolarHBondContact O-N 3.13Å; S1582-M1584 VanDerWaalsContact O-N 3.12Å; S1582-M1584 PolarHBondContact OG-N 3.32Å; S1582-M1584 PolarHBondContact OG-O 2.93Å; S1582-W1608 WeakPolarHBondContact O-CZ2 3.28Å | ||
| 1583 | I | 90.8 | Very high | 86.1 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -58.2 | -21.1 | 166.1 | 61.3 | 177.4 | 0 | 0 | 0 | 112.3 | F1581 S1606 V1622 C1701 | F1581-I1583 HydrophobicContact CE1-CG2 4.48Å; I1583-S1606 VanDerWaalsContact C-OG 3.3Å; I1583-S1606 PolarHBondContact O-OG 3.34Å; I1583-V1622 HydrophobicContact CG2-CB 4Å; I1583-V1622 HydrophobicContact CG2-CG2 3.87Å; I1583-C1701 HydrophobicContact CB-CB 4.18Å; I1583-C1701 HydrophobicContact CG2-CB 4.25Å |
| 1584 | M | 89.3 | Confident | 84.6 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | trans | -146.1 | 89.2 | -178 | -169.2 | 47.9 | 47.8 | 0 | 0 | 108.9 | S1582 F1586 N1600 G1604 N1703 | S1582-M1584 PolarHBondContact O-N 3.13Å; S1582-M1584 VanDerWaalsContact O-N 3.12Å; S1582-M1584 PolarHBondContact OG-N 3.32Å; S1582-M1584 PolarHBondContact OG-O 2.93Å; M1584-F1586 VanDerWaalsContact C-N 3.29Å; M1584-F1586 HydrophobicContact CE-CE1 4.06Å; M1584-F1586 HydrophobicContact CE-CZ 4.1Å; M1584-F1586 PolarHBondContact O-N 3.05Å; M1584-F1586 HydrophobicContact SD-CD1 3.76Å; M1584-F1586 HydrophobicContact SD-CD2 4.23Å; M1584-F1586 HydrophobicContact SD-CE1 3.33Å; M1584-F1586 WeakPolarHBondContact SD-CE1 3.44Å; M1584-F1586 HydrophobicContact SD-CE2 3.84Å; M1584-F1586 HydrophobicContact SD-CG 4.19Å; M1584-F1586 HydrophobicContact SD-CZ 3.36Å; M1584-F1586 WeakPolarHBondContact SD-CZ 3.36Å; M1584-N1600 VanDerWaalsContact CB-OD1 3.26Å; M1584-N1600 WeakPolarHBondContact CB-OD1 3.37Å; M1584-N1600 WeakPolarHBondContact CG-OD1 3.47Å; M1584-G1604 WeakPolarHBondContact CE-O 3.46Å; M1584-N1703 HydrophobicContact CE-CB 3.84Å | ||
| 1585 | P | 90.2 | Very high | 83.6 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | trans | -86.6 | 6.9 | -175.9 | 34.5 | -35.7 | 0 | 0 | 0 | 113.8 | L1560 L1578 W1608 | L1560-P1585 HydrophobicContact CD1-CG 4.39Å; L1560-P1585 HydrophobicContact CD2-CG 3.44Å; L1560-P1585 VanDerWaalsContact CD2-CG 3.44Å; L1578-P1585 HydrophobicContact CD1-CB 4.05Å; L1578-P1585 HydrophobicContact CD1-CG 4.37Å; P1585-W1608 HydrophobicContact CB-CZ2 4.49Å; P1585-W1608 HydrophobicContact CG-CZ2 4.11Å | ||
| 1586 | F | 87.8 | Confident | 82.7 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 21% | 0.206 | 40% | 0.404 | C | S | . | . | trans | -135 | 171.5 | -177.8 | 66.6 | -88.3 | 0 | 0 | 0 | 112.2 | L1560 Q1561 M1584 N1588 | L1560-F1586 HydrophobicContact CB-CD1 4.14Å; L1560-F1586 HydrophobicContact CB-CE1 3.99Å; L1560-F1586 HydrophobicContact CD1-CD1 3.95Å; L1560-F1586 HydrophobicContact CD2-CD1 3.93Å; L1560-F1586 HydrophobicContact CD2-CE1 4.08Å; L1560-F1586 HydrophobicContact CG-CD1 4.23Å; L1560-F1586 HydrophobicContact CG-CE1 4.45Å; Q1561-F1586 WeakPolarHBondContact O-CZ 3.24Å; M1584-F1586 VanDerWaalsContact C-N 3.29Å; M1584-F1586 HydrophobicContact CE-CE1 4.06Å; M1584-F1586 HydrophobicContact CE-CZ 4.1Å; M1584-F1586 PolarHBondContact O-N 3.05Å; M1584-F1586 HydrophobicContact SD-CD1 3.76Å; M1584-F1586 HydrophobicContact SD-CD2 4.23Å; M1584-F1586 HydrophobicContact SD-CE1 3.33Å; M1584-F1586 WeakPolarHBondContact SD-CE1 3.44Å; M1584-F1586 HydrophobicContact SD-CE2 3.84Å; M1584-F1586 HydrophobicContact SD-CG 4.19Å; M1584-F1586 HydrophobicContact SD-CZ 3.36Å; M1584-F1586 WeakPolarHBondContact SD-CZ 3.36Å; F1586-N1588 WeakPolarHBondContact CE2-OD1 3.5Å | ||
| 1587 | A | 84.7 | Confident | 81.9 | Confident | 49 Ų | 49 | 78.4 Ų | 78.4 | 41% | 0.405 | 43% | 0.425 | S | S | . | . | trans | -136.5 | 139.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1599 | A1587-V1599 HydrophobicContact CB-CG2 3.83Š| ||
| 1588 | N | 79.3 | Confident | 80.8 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 14% | 0.139 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 103.5 | -178.7 | -75.3 | -4.6 | 0 | 0 | 0 | 110.7 | N1563 F1586 F1590 Q1598 | N1563-N1588 PolarHBondContact ND2-ND2 3.46Å; N1563-N1588 PolarHBondContact OD1-ND2 3.35Å; N1563-N1588 VanDerWaalsContact OD1-ND2 3.08Å; F1586-N1588 WeakPolarHBondContact CE2-OD1 3.5Å; N1588-F1590 HydrophobicContact CB-CE2 4.11Å; N1588-F1590 HydrophobicContact CB-CZ 4.22Å; N1588-Q1598 PolarHBondContact N-O 3.26Å; N1588-Q1598 PolarHBondContact O-N 3.17Å |
| 1589 | C | 78.6 | Confident | 79.9 | Confident | 72 Ų | 72 | 82.9 Ų | 82.9 | 49% | 0.486 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 108.6 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | A1591 C1597 | C1589-A1591 PolarHBondContact O-N 2.8Å; C1589-C1597 HydrophobicContact CB-CB 4.08Å; C1589-C1597 WeakPolarHBondContact CB-SG 3.29Å; C1589-C1597 WeakPolarHBondContact SG-CB 3.16Å; C1589-C1597 CovalentContact SG-SG 2.04Å; C1589-C1597 PolarHBondContact SG-SG 3.39Å |
| 1590 | F | 69.3 | Low | 78.6 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 32% | 0.316 | 44% | 0.437 | S | S | . | . | trans | -84.2 | 61 | 178.6 | -63.5 | -74.7 | 0 | 0 | 0 | 111.1 | N1588 K1592 V1593 H1596 Q1598 | N1588-F1590 HydrophobicContact CB-CE2 4.11Å; N1588-F1590 HydrophobicContact CB-CZ 4.22Å; F1590-K1592 PolarHBondContact O-N 2.82Å; F1590-K1592 VanDerWaalsContact O-N 3.08Å; F1590-V1593 HydrophobicContact CB-CG2 4.46Å; F1590-V1593 PolarHBondContact O-N 3.34Å; F1590-H1596 PolarHBondContact N-O 2.83Å; F1590-Q1598 HydrophobicContact CE2-CG 4.48Å | ||
| 1591 | A | 61.9 | Low | 77 | Confident | 84 Ų | 84 | 75.6 Ų | 75.6 | 69% | 0.694 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -24.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1589 V1593 | C1589-A1591 PolarHBondContact O-N 2.8Å; A1591-V1593 VanDerWaalsContact C-N 3.32Å; A1591-V1593 PolarHBondContact O-N 3.36Å |
| 1592 | K | 59.3 | Low | 75.7 | Confident | 214 Ų | 214 | 79.5 Ų | 79.5 | 93% | 0.93 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4.9 | 176 | -75.8 | -170.9 | 175.1 | -178.8 | 0 | 115.2 | F1590 | F1590-K1592 PolarHBondContact O-N 2.82Å; F1590-K1592 VanDerWaalsContact O-N 3.08Å |
| 1593 | V | 61.8 | Low | 74.8 | Confident | 108 Ų | 108 | 83 Ų | 83 | 66% | 0.655 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -72.2 | -173.7 | -162.9 | 0 | 0 | 0 | 0 | 111.4 | F1590 A1591 | F1590-V1593 HydrophobicContact CB-CG2 4.46Å; F1590-V1593 PolarHBondContact O-N 3.34Å; A1591-V1593 VanDerWaalsContact C-N 3.32Å; A1591-V1593 PolarHBondContact O-N 3.36Å |
| 1594 | N | 64.5 | Low | 74.4 | Confident | 125 Ų | 125 | 82.5 Ų | 82.5 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 11.2 | -169.2 | -63.1 | -21.4 | 0 | 0 | 0 | 114.4 | H1596 | N1594-H1596 PolarHBondContact O-CD2 3.08Å; N1594-H1596 PolarHBondContact O-N 2.81Å |
| 1595 | G | 75.9 | Confident | 74.2 | Confident | 59 Ų | 59 | 84.4 Ų | 84.4 | 61% | 0.608 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 67.8 | -14.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1596 | H | 75 | Confident | 74.2 | Confident | 143 Ų | 143 | 82.2 Ų | 82.2 | 66% | 0.662 | 45% | 0.45 | S | S | * | . | trans | -70.1 | 137.5 | 178.9 | -70.4 | -73.1 | 0 | 0 | 0 | 113.5 | F1590 N1594 | F1590-H1596 PolarHBondContact N-O 2.83Å; N1594-H1596 PolarHBondContact O-CD2 3.08Å; N1594-H1596 PolarHBondContact O-N 2.81Å | ||
| 1597 | C | 80.9 | Confident | 74.4 | Confident | 67 Ų | 67 | 80.1 Ų | 80.1 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.7 | 168 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | C1589 | C1589-C1597 HydrophobicContact CB-CB 4.08Å; C1589-C1597 WeakPolarHBondContact CB-SG 3.29Å; C1589-C1597 WeakPolarHBondContact SG-CB 3.16Å; C1589-C1597 CovalentContact SG-SG 2.04Å; C1589-C1597 PolarHBondContact SG-SG 3.39Å |
| 1598 | Q | 75.6 | Confident | 74.8 | Confident | 69 Ų | 69 | 77.8 Ų | 77.8 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 107.2 | 175.3 | -67.5 | -172 | -18.4 | 0 | 0 | 110.1 | N1588 F1590 M1601 | N1588-Q1598 PolarHBondContact N-O 3.26Å; N1588-Q1598 PolarHBondContact O-N 3.17Å; F1590-Q1598 HydrophobicContact CE2-CG 4.48Å; Q1598-M1601 HydrophobicContact CB-CB 4.36Å; Q1598-M1601 HydrophobicContact CB-CE 4.24Å; Q1598-M1601 HydrophobicContact CG-CE 4.14Å |
| 1599 | V | 77.3 | Confident | 75.6 | Confident | 84 Ų | 84 | 76.6 Ų | 76.6 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -89.1 | 137.5 | 161.5 | -170.1 | 0 | 0 | 0 | 0 | 107.1 | A1587 M1601 | A1587-V1599 HydrophobicContact CB-CG2 3.83Å; V1599-M1601 WeakPolarHBondContact O-CG 3.16Å; V1599-M1601 PolarHBondContact O-N 2.85Å |
| 1600 | N | 68.9 | Low | 76.4 | Confident | 77 Ų | 77 | 73.1 Ų | 73.1 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 53.3 | 24.1 | 170.5 | -66.4 | 22.5 | 0 | 0 | 0 | 117.6 | M1584 N1703 | M1584-N1600 VanDerWaalsContact CB-OD1 3.26Å; M1584-N1600 WeakPolarHBondContact CB-OD1 3.37Å; M1584-N1600 WeakPolarHBondContact CG-OD1 3.47Å; N1600-N1703 WeakPolarHBondContact CA-ND2 3.26Å; N1600-N1703 VanDerWaalsContact CA-OD1 3.24Å; N1600-N1703 WeakPolarHBondContact CA-OD1 3.35Å; N1600-N1703 WeakPolarHBondContact CB-OD1 2.94Å; N1600-N1703 PolarHBondContact ND2-OD1 2.89Å; N1600-N1703 PolarHBondContact O-ND2 3.14Å; N1600-N1703 PolarHBondContact OD1-OD1 3.07Å |
| 1601 | M | 60.4 | Low | 77.7 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 65% | 0.645 | 38% | 0.378 | S | S | * | . | trans | -120.6 | 17.2 | -176.5 | -72.8 | -175.7 | -75.7 | 0 | 0 | 115.6 | Q1598 V1599 | Q1598-M1601 HydrophobicContact CB-CB 4.36Å; Q1598-M1601 HydrophobicContact CB-CE 4.24Å; Q1598-M1601 HydrophobicContact CG-CE 4.14Å; V1599-M1601 WeakPolarHBondContact O-CG 3.16Å; V1599-M1601 PolarHBondContact O-N 2.85Å | ||
| 1602 | R | 67.1 | Low | 79.2 | Confident | 124 Ų | 124 | 69.8 Ų | 69.8 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -141.5 | 174.2 | 174.3 | -95.9 | -168.2 | 170.8 | -152.7 | -6.3 | 111.5 | N1563 G1604 | N1563-R1602 WeakPolarHBondContact OD1-CD 3.37Å; N1563-R1602 PolarHBondContact OD1-NH1 3.12Å; R1602-G1604 PolarHBondContact O-N 3.11Å |
| 1603 | N | 73.1 | Confident | 80.7 | Confident | 115 Ų | 115 | 63.2 Ų | 63.2 | 62% | 0.615 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -67.1 | 41.5 | 171.6 | -64.1 | -1.3 | 0 | 0 | 0 | 113.2 | ||
| 1604 | G | 80.8 | Confident | 82 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | trans | -68.9 | 145 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q1561 M1584 R1602 | Q1561-G1604 CarbonylContact O-C 3.03Å; Q1561-G1604 VanDerWaalsContact O-CA 3.27Å; Q1561-G1604 WeakPolarHBondContact O-CA 3.07Å; M1584-G1604 WeakPolarHBondContact CE-O 3.46Å; R1602-G1604 PolarHBondContact O-N 3.11Å | ||
| 1605 | R | 86.1 | Confident | 83.3 | Confident | 56 Ų | 56 | 58 Ų | 58 | 21% | 0.211 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.3 | 174.4 | -39.9 | -168.7 | 164.8 | 167.4 | -12.8 | 110.3 | Q1561 Y1607 S1674 E1700 C1701 N1702 | Q1561-R1605 HydrophobicContact CB-CB 4.18Å; Q1561-R1605 HydrophobicContact CB-CG 4.49Å; Q1561-R1605 PolarHBondContact N-O 2.89Å; Q1561-R1605 PolarHBondContact O-N 3.08Å; R1605-Y1607 HydrophobicContact CB-CE2 4.07Å; R1605-Y1607 WeakPolarHBondContact CD-OH 3.24Å; R1605-Y1607 PolarHBondContact NH1-OH 3.2Å; R1605-S1674 PolarHBondContact NH1-OG 3.48Å; R1605-E1700 IonicContact CZ-OE1 3.48Å; R1605-E1700 IonicContact NE-OE1 3.74Å; R1605-E1700 IonicContact NH1-OE1 3.88Å; R1605-E1700 IonicContact NH1-OE2 3.4Å; R1605-C1701 WeakPolarHBondContact CA-O 3.48Å; R1605-N1702 WeakPolarHBondContact CB-OD1 3.19Å; R1605-N1702 WeakPolarHBondContact CD-OD1 3.14Å; R1605-N1702 WeakPolarHBondContact CG-OD1 3.27Å; R1605-N1702 PolarHBondContact NE-OD1 3.22Å |
| 1606 | S | 89.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.8 | 166.5 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | I1583 W1608 C1701 | I1583-S1606 VanDerWaalsContact C-OG 3.3Å; I1583-S1606 PolarHBondContact O-OG 3.34Å; S1606-W1608 PolarHBondContact OG-NE1 2.79Å; S1606-C1701 PolarHBondContact N-O 3.18Å; S1606-C1701 WeakPolarHBondContact O-CB 3.41Å; S1606-C1701 PolarHBondContact O-N 2.82Å |
| 1607 | Y | 91.8 | Very high | 84.6 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.7 | 179.9 | -59.9 | -92.6 | 0 | 0 | 0 | 108.3 | V1558 T1559 Q1561 R1605 S1675 F1698 I1699 E1700 | V1558-Y1607 WeakPolarHBondContact CA-O 3.18Å; V1558-Y1607 WeakPolarHBondContact CB-O 3.41Å; V1558-Y1607 PolarHBondContact N-O 3.28Å; T1559-Y1607 HydrophobicContact CG2-CD2 4.08Å; T1559-Y1607 PolarHBondContact N-O 2.93Å; T1559-Y1607 VanDerWaalsContact N-O 3.11Å; T1559-Y1607 PolarHBondContact O-N 2.84Å; Q1561-Y1607 HydrophobicContact CB-CE2 4.14Å; Q1561-Y1607 PolarHBondContact OE1-OH 3.15Å; R1605-Y1607 HydrophobicContact CB-CE2 4.07Å; R1605-Y1607 WeakPolarHBondContact CD-OH 3.24Å; R1605-Y1607 PolarHBondContact NH1-OH 3.2Å; Y1607-S1675 PolarHBondContact OH-OG 3.43Å; Y1607-F1698 HydrophobicContact CD1-CD2 4.06Å; Y1607-F1698 HydrophobicContact CD1-CE2 4.2Å; Y1607-I1699 WeakPolarHBondContact CA-O 3.26Å; Y1607-E1700 HydrophobicContact CD1-CB 3.85Å; Y1607-E1700 HydrophobicContact CD1-CG 4Å; Y1607-E1700 HydrophobicContact CE1-CB 3.67Å; Y1607-E1700 HydrophobicContact CE1-CG 3.46Å; Y1607-E1700 VanDerWaalsContact CE1-CG 3.46Å; Y1607-E1700 VanDerWaalsContact CE1-OE2 3.22Å; Y1607-E1700 WeakPolarHBondContact CE1-OE2 3.47Å; Y1607-E1700 PolarHBondContact OH-OE2 3.43Å |
| 1608 | W | 94.3 | Very high | 85 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 146.3 | -177.4 | -60.3 | 80.4 | 0 | 0 | 0 | 109.1 | S1556 L1557 L1578 F1581 S1582 P1585 S1606 S1610 I1629 F1698 I1699 | S1556-W1608 CarbonylContact O-C 3.25Å; S1556-W1608 VanDerWaalsContact O-CA 3.25Å; S1556-W1608 WeakPolarHBondContact O-CA 3.47Å; L1557-W1608 HydrophobicContact CB-CE3 4.16Å; L1557-W1608 HydrophobicContact CB-CH2 4.48Å; L1557-W1608 HydrophobicContact CB-CZ3 4Å; L1557-W1608 HydrophobicContact CD1-CD2 4.47Å; L1557-W1608 HydrophobicContact CD1-CZ2 4.42Å; L1578-W1608 HydrophobicContact CB-CH2 4.18Å; L1578-W1608 HydrophobicContact CB-CZ3 4.21Å; L1578-W1608 HydrophobicContact CD1-CH2 3.72Å; L1578-W1608 HydrophobicContact CD1-CZ3 4.33Å; L1578-W1608 HydrophobicContact CG-CH2 4.49Å; F1581-W1608 AromaticContact CD2-CD2 3.7Å; F1581-W1608 HydrophobicContact CD2-CD2 3.7Å; F1581-W1608 AromaticContact CD2-CE2 3.61Å; F1581-W1608 AromaticContact CD2-CE3 3.89Å; F1581-W1608 HydrophobicContact CD2-CE3 3.89Å; F1581-W1608 HydrophobicContact CD2-CG 4.34Å; F1581-W1608 AromaticContact CD2-CH2 3.93Å; F1581-W1608 HydrophobicContact CD2-CH2 3.93Å; F1581-W1608 AromaticContact CD2-CZ2 3.74Å; F1581-W1608 HydrophobicContact CD2-CZ2 3.74Å; F1581-W1608 HydrophobicContact CD2-CZ3 4.01Å; F1581-W1608 AromaticContact CE2-CD1 3.75Å; F1581-W1608 AromaticContact CE2-CD2 3.63Å; F1581-W1608 HydrophobicContact CE2-CD2 3.63Å; F1581-W1608 AromaticContact CE2-CE2 3.49Å; F1581-W1608 VanDerWaalsContact CE2-CE2 3.49Å; F1581-W1608 HydrophobicContact CE2-CE3 4.27Å; F1581-W1608 AromaticContact CE2-CG 3.82Å; F1581-W1608 HydrophobicContact CE2-CG 3.82Å; F1581-W1608 HydrophobicContact CE2-CZ2 4.04Å; F1581-W1608 AromaticContact CE2-NE1 3.54Å; S1582-W1608 WeakPolarHBondContact O-CZ2 3.28Å; P1585-W1608 HydrophobicContact CB-CZ2 4.49Å; P1585-W1608 HydrophobicContact CG-CZ2 4.11Å; S1606-W1608 PolarHBondContact OG-NE1 2.79Å; W1608-S1610 PolarHBondContact O-N 3.49Å; W1608-I1629 HydrophobicContact CB-CD1 4.16Å; W1608-I1629 HydrophobicContact CB-CG2 4.16Å; W1608-I1629 HydrophobicContact CD2-CG2 4.46Å; W1608-I1629 HydrophobicContact CE3-CG2 4.21Å; W1608-I1629 HydrophobicContact CG-CD1 4.44Å; W1608-I1629 HydrophobicContact CG-CG2 4.46Å; W1608-F1698 CarbonylContact O-C 3.47Å; W1608-F1698 WeakPolarHBondContact O-CA 3.48Å; W1608-F1698 VanDerWaalsContact O-CB 3.29Å; W1608-F1698 WeakPolarHBondContact O-CB 3.39Å; W1608-I1699 HydrophobicContact CB-CG2 4.11Å; W1608-I1699 PolarHBondContact N-O 3.01Å; W1608-I1699 PolarHBondContact O-N 2.76Å |
| 1609 | L | 95.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.5 | 173.1 | -156.8 | 78.9 | 0 | 0 | 0 | 106.9 | H1535 Q1537 S1556 V1558 L1571 S1630 L1690 P1697 | H1535-L1609 HydrophobicContact CB-CD2 3.76Å; Q1537-L1609 HydrophobicContact CG-CD2 3.8Å; S1556-L1609 VanDerWaalsContact CB-CB 3.5Å; S1556-L1609 PolarHBondContact O-N 3.07Å; V1558-L1609 HydrophobicContact CG2-CB 3.9Å; V1558-L1609 HydrophobicContact CG2-CD1 3.91Å; L1571-L1609 HydrophobicContact CD1-CD1 4.05Å; L1609-S1630 WeakPolarHBondContact O-CB 3.4Å; L1609-S1630 PolarHBondContact O-N 2.99Å; L1609-L1690 HydrophobicContact CD1-CD1 4.24Å; L1609-L1690 HydrophobicContact CD1-CD2 4.42Å; L1609-L1690 HydrophobicContact CD2-CD2 3.91Å; L1609-P1697 CarbonylContact C-O 3.59Å; L1609-P1697 WeakPolarHBondContact CA-O 3.49Å; L1609-P1697 HydrophobicContact CD1-CB 4.4Å; L1609-P1697 VanDerWaalsContact CD1-O 3.28Å; L1609-P1697 WeakPolarHBondContact CD1-O 3.23Å; L1609-P1697 WeakPolarHBondContact CG-O 3.49Å |
| 1610 | S | 95.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -90.7 | 157.8 | -176.8 | 73.7 | 0 | 0 | 0 | 0 | 111.5 | W1608 Y1628 R1694 P1697 H1710 | W1608-S1610 PolarHBondContact O-N 3.49Å; S1610-Y1628 VanDerWaalsContact CA-O 3.23Å; S1610-Y1628 WeakPolarHBondContact CA-O 3.2Å; S1610-Y1628 WeakPolarHBondContact CB-O 3.47Å; S1610-R1694 PolarHBondContact OG-NE 3.22Å; S1610-P1697 PolarHBondContact N-O 3.01Å; S1610-H1710 WeakPolarHBondContact CB-NE2 2.43Å; S1610-H1710 PolarHBondContact OG-NE2 3.02Å |
| 1611 | T | 96.3 | Very high | 87 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | trans | -72 | 175.3 | 171.7 | 63.1 | 0 | 0 | 0 | 0 | 112 | Q1537 E1613 P1627 Y1628 R1694 | Q1537-T1611 CarbonylContact O-C 3.59Å; Q1537-T1611 WeakPolarHBondContact O-CA 3.42Å; T1611-E1613 PolarHBondContact O-N 2.93Å; T1611-E1613 WeakPolarHBondContact OG1-CB 3.28Å; T1611-E1613 PolarHBondContact OG1-N 3.05Å; T1611-P1627 WeakPolarHBondContact CB-O 3.31Å; T1611-P1627 WeakPolarHBondContact CG2-O 3.48Å; T1611-P1627 PolarHBondContact OG1-O 2.04Å; T1611-Y1628 PolarHBondContact N-O 3.12Å; T1611-Y1628 VanDerWaalsContact N-O 3.1Å; T1611-Y1628 WeakPolarHBondContact OG1-CA 3.38Å; T1611-R1694 PolarHBondContact O-NE 3.42Å; T1611-R1694 PolarHBondContact O-NH1 3.03Å; T1611-R1694 VanDerWaalsContact O-NH1 3.12Å | ||
| 1612 | L | 94.4 | Very high | 88.2 | Confident | 83 Ų | 83 | 50 Ų | 50 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -75 | -0.7 | 170.7 | -64.4 | -172.9 | 0 | 0 | 0 | 114.4 | Q1537 H1692 R1694 | Q1537-L1612 HydrophobicContact CB-CD2 4.36Å; Q1537-L1612 HydrophobicContact CB-CG 4.32Å; Q1537-L1612 PolarHBondContact O-N 3.13Å; L1612-H1692 HydrophobicContact CD1-CB 3.99Å; L1612-H1692 HydrophobicContact CD2-CB 3.92Å; L1612-H1692 HydrophobicContact CG-CB 4.44Å; L1612-R1694 PolarHBondContact O-NH1 3.49Å; L1612-R1694 VanDerWaalsContact O-NH1 3.09Å |
| 1613 | E | 90.6 | Very high | 89 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -55.8 | 157.7 | 177.9 | -92.1 | -70.1 | -171.6 | 0 | 0 | 114.2 | T1611 Y1615 Y1628 R1694 | T1611-E1613 PolarHBondContact O-N 2.93Å; T1611-E1613 WeakPolarHBondContact OG1-CB 3.28Å; T1611-E1613 PolarHBondContact OG1-N 3.05Å; E1613-Y1615 PolarHBondContact O-N 3.45Å; E1613-Y1628 HydrophobicContact CB-CD1 3.99Å; E1613-Y1628 HydrophobicContact CB-CE1 3.91Å; E1613-R1694 VanDerWaalsContact O-CZ 3.29Å; E1613-R1694 PolarHBondContact O-NH1 3.23Å; E1613-R1694 PolarHBondContact O-NH2 3.32Å |
| 1614 | Q | 89.3 | Confident | 89.8 | Confident | 86 Ų | 86 | 50.3 Ų | 50.3 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 126.8 | 177.3 | -174.9 | 174.7 | 0.5 | 0 | 0 | 109.7 | E228 R607 M1616 Y1628 | E228-Q1614 PolarHBondContact OE1-NE2 2.79Å; R607-Q1614 VanDerWaalsContact NH1-OE1 3.09Å; Q1614-M1616 PolarHBondContact O-N 3.02Å; Q1614-Y1628 WeakPolarHBondContact O-CE1 3.36Å |
| 1615 | Y | 90.6 | Very high | 90.4 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -48.4 | 138.6 | 179.4 | -71.9 | -72 | 0 | 0 | 0 | 111.7 | I227 E1613 R1694 L1696 H1710 | I227-Y1615 HydrophobicContact CB-CG 4.47Å; I227-Y1615 HydrophobicContact CG2-CD1 4Å; I227-Y1615 HydrophobicContact CG2-CD2 3.93Å; I227-Y1615 HydrophobicContact CG2-CG 3.64Å; I227-Y1615 WeakPolarHBondContact O-CB 3.25Å; E1613-Y1615 PolarHBondContact O-N 3.45Å; Y1615-R1694 VanDerWaalsContact CE1-NH2 3.31Å; Y1615-R1694 VanDerWaalsContact OH-CG 3.28Å; Y1615-R1694 WeakPolarHBondContact OH-CG 3.5Å; Y1615-L1696 HydrophobicContact CE1-CB 3.88Å; Y1615-L1696 PolarHBondContact OH-N 3.09Å; Y1615-H1710 HydrophobicContact CD1-CB 4.26Å; Y1615-H1710 AromaticContact CD1-CD2 3.8Å; Y1615-H1710 AromaticContact CD1-CG 3.82Å |
| 1616 | M | 89.5 | Confident | 90.7 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 138.7 | -176.7 | -63 | -160.4 | -50.6 | 0 | 0 | 111.2 | Q1614 A1620 I1625 Y1628 I1699 C1708 F1709 | Q1614-M1616 PolarHBondContact O-N 3.02Å; M1616-A1620 HydrophobicContact CE-CB 3.88Å; M1616-A1620 HydrophobicContact SD-CB 3.61Å; M1616-I1625 HydrophobicContact CE-CD1 3.62Å; M1616-I1625 HydrophobicContact SD-CD1 3.74Å; M1616-Y1628 HydrophobicContact CG-CD1 3.75Å; M1616-Y1628 HydrophobicContact CG-CD2 4.18Å; M1616-Y1628 HydrophobicContact CG-CE1 3.52Å; M1616-Y1628 HydrophobicContact CG-CE2 3.97Å; M1616-Y1628 HydrophobicContact CG-CG 4.06Å; M1616-Y1628 HydrophobicContact SD-CD1 4.12Å; M1616-Y1628 HydrophobicContact SD-CD2 3.5Å; M1616-Y1628 WeakPolarHBondContact SD-CD2 3.45Å; M1616-Y1628 HydrophobicContact SD-CE1 4.15Å; M1616-Y1628 HydrophobicContact SD-CE2 3.52Å; M1616-Y1628 VanDerWaalsContact SD-CE2 3.52Å; M1616-Y1628 HydrophobicContact SD-CG 3.79Å; M1616-I1699 HydrophobicContact CE-CD1 3.66Å; M1616-C1708 WeakPolarHBondContact CE-O 3.33Å; M1616-F1709 HydrophobicContact CB-CD2 4.05Å; M1616-F1709 HydrophobicContact CB-CE2 4.03Å; M1616-F1709 HydrophobicContact CE-CD2 4.13Å; M1616-F1709 WeakPolarHBondContact O-CE2 3.29Å |
| 1617 | L | 89.3 | Confident | 90.9 | Very high | 83 Ų | 83 | 56.8 Ų | 56.8 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -88.6 | -23.2 | -179.3 | -51.8 | -175.8 | 0 | 0 | 0 | 112.5 | T226 E228 | T226-L1617 HydrophobicContact CG2-CB 3.84Å; T226-L1617 HydrophobicContact CG2-CD2 4.33Å; E228-L1617 HydrophobicContact CG-CD2 3.57Å |
| 1618 | S | 89.7 | Confident | 91.1 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 56% | 0.559 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -142.2 | 153.6 | 175.1 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | A1620 F1709 | S1618-A1620 PolarHBondContact O-N 3.5Å; S1618-F1709 WeakPolarHBondContact O-CD2 3.11Å |
| 1619 | P | 89.7 | Confident | 91.2 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | trans | -53.6 | 136.5 | 171.9 | -25.6 | 34.2 | 0 | 0 | 0 | 111.9 | N1707 C1708 F1709 W1711 | P1619-N1707 HydrophobicContact CB-CB 4.09Å; P1619-C1708 WeakPolarHBondContact CA-O 3.49Å; P1619-F1709 HydrophobicContact CB-CB 4.1Å; P1619-F1709 HydrophobicContact CB-CD2 4.36Å; P1619-F1709 HydrophobicContact CB-CG 4.27Å; P1619-F1709 HydrophobicContact CG-CB 4.07Å; P1619-F1709 HydrophobicContact CG-CD1 4.14Å; P1619-F1709 HydrophobicContact CG-CD2 4.07Å; P1619-F1709 HydrophobicContact CG-CG 3.84Å; P1619-F1709 VanDerWaalsContact N-CD2 3.31Å; P1619-W1711 HydrophobicContact CG-CH2 4.41Å | ||
| 1620 | A | 88.5 | Confident | 91.3 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | M1616 S1618 I1625 N1707 C1708 | M1616-A1620 HydrophobicContact CE-CB 3.88Å; M1616-A1620 HydrophobicContact SD-CB 3.61Å; S1618-A1620 PolarHBondContact O-N 3.5Å; A1620-I1625 HydrophobicContact CB-CD1 4.05Å; A1620-N1707 CarbonylContact O-C 3.33Å; A1620-N1707 WeakPolarHBondContact O-CA 3.4Å; A1620-C1708 PolarHBondContact N-O 2.89Å; A1620-C1708 PolarHBondContact O-N 3.42Å |
| 1621 | R | 86.3 | Confident | 91.5 | Very high | 161 Ų | 161 | 60.9 Ų | 60.9 | 61% | 0.608 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 156.4 | 175.9 | -66.1 | -176.8 | 176.7 | 179.5 | -0.9 | 112.1 | E1623 N1624 I1625 G1706 N1707 | R1621-E1623 WeakPolarHBondContact CB-OE2 3.47Å; R1621-E1623 PolarHBondContact O-N 3.25Å; R1621-N1624 PolarHBondContact O-N 2.83Å; R1621-I1625 PolarHBondContact O-N 3Å; R1621-G1706 WeakPolarHBondContact CA-O 3.29Å; R1621-N1707 WeakPolarHBondContact CA-OD1 3.37Å; R1621-N1707 VanDerWaalsContact CG-OD1 3.27Å; R1621-N1707 WeakPolarHBondContact CG-OD1 3.4Å; R1621-N1707 PolarHBondContact N-OD1 2.88Å |
| 1622 | V | 84.5 | Confident | 91.6 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 35% | 0.345 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -46.8 | -33.8 | 179.4 | 67.4 | 0 | 0 | 0 | 0 | 115.1 | F1581 I1583 N1624 I1625 G1706 | F1581-V1622 HydrophobicContact CE1-CG2 4.11Å; I1583-V1622 HydrophobicContact CG2-CB 4Å; I1583-V1622 HydrophobicContact CG2-CG2 3.87Å; V1622-N1624 VanDerWaalsContact C-N 3.33Å; V1622-N1624 PolarHBondContact O-N 2.83Å; V1622-I1625 WeakPolarHBondContact O-CG2 3.45Å; V1622-G1706 PolarHBondContact N-O 3.44Å |
| 1623 | E | 84.2 | Confident | 91.7 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 62% | 0.621 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -70.1 | -32.6 | -178.9 | -50.5 | 80.5 | -171.8 | 0 | 0 | 112.3 | R1621 | R1621-E1623 WeakPolarHBondContact CB-OE2 3.47Å; R1621-E1623 PolarHBondContact O-N 3.25Å |
| 1624 | N | 90 | Very high | 92.1 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -94.5 | -2.7 | -175.3 | -66.7 | -29.1 | 0 | 0 | 0 | 113.1 | R1621 V1622 K1626 P1627 | R1621-N1624 PolarHBondContact O-N 2.83Å; V1622-N1624 VanDerWaalsContact C-N 3.33Å; V1622-N1624 PolarHBondContact O-N 2.83Å; N1624-K1626 PolarHBondContact O-N 3.33Å; N1624-P1627 VanDerWaalsContact O-CD 3.3Å; N1624-P1627 WeakPolarHBondContact O-CD 3.29Å |
| 1625 | I | 93.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | trans | -82.7 | -12.6 | -169.3 | -152 | 66.6 | 0 | 0 | 0 | 114.6 | F1581 M1616 A1620 R1621 V1622 P1627 Y1628 I1629 I1699 C1708 | F1581-I1625 HydrophobicContact CD1-CG2 4.4Å; F1581-I1625 HydrophobicContact CE1-CG2 3.48Å; F1581-I1625 VanDerWaalsContact CE1-CG2 3.48Å; F1581-I1625 HydrophobicContact CZ-CG2 3.72Å; M1616-I1625 HydrophobicContact CE-CD1 3.62Å; M1616-I1625 HydrophobicContact SD-CD1 3.74Å; A1620-I1625 HydrophobicContact CB-CD1 4.05Å; R1621-I1625 PolarHBondContact O-N 3Å; V1622-I1625 WeakPolarHBondContact O-CG2 3.45Å; I1625-P1627 VanDerWaalsContact C-N 3.33Å; I1625-P1627 VanDerWaalsContact O-N 3.13Å; I1625-Y1628 HydrophobicContact CD1-CD2 4.07Å; I1625-Y1628 HydrophobicContact CD1-CG 4.44Å; I1625-Y1628 PolarHBondContact O-N 2.88Å; I1625-I1629 HydrophobicContact CG1-CD1 3.88Å; I1625-I1629 HydrophobicContact CG1-CG1 4.19Å; I1625-I1629 HydrophobicContact CG2-CD1 4.38Å; I1625-I1629 HydrophobicContact CG2-CG1 4.01Å; I1625-I1629 PolarHBondContact O-N 3.03Å; I1625-I1699 HydrophobicContact CD1-CD1 3.76Å; I1625-I1699 HydrophobicContact CG1-CD1 4.3Å; I1625-C1708 HydrophobicContact CD1-CB 3.69Å; I1625-C1708 HydrophobicContact CG1-CB 3.84Å | ||
| 1626 | K | 92.3 | Very high | 92.6 | Very high | 138 Ų | 138 | 50.9 Ų | 50.9 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -47.6 | -42.2 | -176.4 | -172.2 | -170.8 | 173.5 | -165 | 0 | 114.4 | N1624 Y1628 | N1624-K1626 PolarHBondContact O-N 3.33Å; K1626-Y1628 PolarHBondContact O-N 3.04Å |
| 1627 | P | 94.7 | Very high | 92.7 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -67.9 | -15.1 | 179 | -19.9 | 34.3 | 0 | 0 | 0 | 114.7 | T1611 N1624 I1625 | T1611-P1627 WeakPolarHBondContact CB-O 3.31Å; T1611-P1627 WeakPolarHBondContact CG2-O 3.48Å; T1611-P1627 PolarHBondContact OG1-O 2.04Å; N1624-P1627 VanDerWaalsContact O-CD 3.3Å; N1624-P1627 WeakPolarHBondContact O-CD 3.29Å; I1625-P1627 VanDerWaalsContact C-N 3.33Å; I1625-P1627 VanDerWaalsContact O-N 3.13Å |
| 1628 | Y | 95.4 | Very high | 92.6 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -104.6 | -10.2 | -173 | -59.8 | -75.1 | 0 | 0 | 0 | 114.2 | S1610 T1611 E1613 Q1614 M1616 I1625 K1626 H1710 | S1610-Y1628 VanDerWaalsContact CA-O 3.23Å; S1610-Y1628 WeakPolarHBondContact CA-O 3.2Å; S1610-Y1628 WeakPolarHBondContact CB-O 3.47Å; T1611-Y1628 PolarHBondContact N-O 3.12Å; T1611-Y1628 VanDerWaalsContact N-O 3.1Å; T1611-Y1628 WeakPolarHBondContact OG1-CA 3.38Å; E1613-Y1628 HydrophobicContact CB-CD1 3.99Å; E1613-Y1628 HydrophobicContact CB-CE1 3.91Å; Q1614-Y1628 WeakPolarHBondContact O-CE1 3.36Å; M1616-Y1628 HydrophobicContact CG-CD1 3.75Å; M1616-Y1628 HydrophobicContact CG-CD2 4.18Å; M1616-Y1628 HydrophobicContact CG-CE1 3.52Å; M1616-Y1628 HydrophobicContact CG-CE2 3.97Å; M1616-Y1628 HydrophobicContact CG-CG 4.06Å; M1616-Y1628 HydrophobicContact SD-CD1 4.12Å; M1616-Y1628 HydrophobicContact SD-CD2 3.5Å; M1616-Y1628 WeakPolarHBondContact SD-CD2 3.45Å; M1616-Y1628 HydrophobicContact SD-CE1 4.15Å; M1616-Y1628 HydrophobicContact SD-CE2 3.52Å; M1616-Y1628 VanDerWaalsContact SD-CE2 3.52Å; M1616-Y1628 HydrophobicContact SD-CG 3.79Å; I1625-Y1628 HydrophobicContact CD1-CD2 4.07Å; I1625-Y1628 HydrophobicContact CD1-CG 4.44Å; I1625-Y1628 PolarHBondContact O-N 2.88Å; K1626-Y1628 PolarHBondContact O-N 3.04Å; Y1628-H1710 AromaticContact CD1-CE1 3.74Å |
| 1629 | I | 96.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -97.6 | 117.9 | 178 | -49.5 | -57.1 | 0 | 0 | 0 | 110 | Y1555 F1581 W1608 I1625 I1699 | Y1555-I1629 HydrophobicContact CD1-CB 4.29Å; Y1555-I1629 HydrophobicContact CD1-CG2 3.76Å; Y1555-I1629 HydrophobicContact CG-CG2 4.37Å; F1581-I1629 HydrophobicContact CD2-CD1 4.47Å; F1581-I1629 HydrophobicContact CD2-CG1 4.12Å; F1581-I1629 HydrophobicContact CD2-CG2 3.95Å; F1581-I1629 HydrophobicContact CE2-CD1 3.61Å; F1581-I1629 HydrophobicContact CE2-CG1 3.67Å; F1581-I1629 HydrophobicContact CE2-CG2 4.1Å; F1581-I1629 HydrophobicContact CZ-CD1 3.84Å; F1581-I1629 HydrophobicContact CZ-CG1 3.9Å; W1608-I1629 HydrophobicContact CB-CD1 4.16Å; W1608-I1629 HydrophobicContact CB-CG2 4.16Å; W1608-I1629 HydrophobicContact CD2-CG2 4.46Å; W1608-I1629 HydrophobicContact CE3-CG2 4.21Å; W1608-I1629 HydrophobicContact CG-CD1 4.44Å; W1608-I1629 HydrophobicContact CG-CG2 4.46Å; I1625-I1629 HydrophobicContact CG1-CD1 3.88Å; I1625-I1629 HydrophobicContact CG1-CG1 4.19Å; I1625-I1629 HydrophobicContact CG2-CD1 4.38Å; I1625-I1629 HydrophobicContact CG2-CG1 4.01Å; I1625-I1629 PolarHBondContact O-N 3.03Å; I1629-I1699 HydrophobicContact CD1-CG2 3.72Å |
| 1630 | S | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 140 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | Q1537 D1538 S1556 L1609 | Q1537-S1630 WeakPolarHBondContact CA-OG 3.39Å; Q1537-S1630 PolarHBondContact N-OG 2.81Å; Q1537-S1630 VanDerWaalsContact N-OG 3.08Å; D1538-S1630 CarbonylContact O-C 3.58Å; D1538-S1630 WeakPolarHBondContact O-CA 3.29Å; S1556-S1630 WeakPolarHBondContact CB-O 3.5Å; S1556-S1630 PolarHBondContact N-O 3.17Å; S1556-S1630 VanDerWaalsContact OG-C 3.32Å; S1556-S1630 WeakPolarHBondContact OG-CB 3.42Å; S1556-S1630 PolarHBondContact OG-O 2.67Å; S1556-S1630 PolarHBondContact OG-OG 3.49Å; L1609-S1630 WeakPolarHBondContact O-CB 3.4Å; L1609-S1630 PolarHBondContact O-N 2.99Å |
| 1631 | R | 98.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 13% | 0.125 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 156.6 | 171 | -60.1 | -68.1 | -67.2 | 157.4 | 6.3 | 111.7 | S1536 D1538 S1539 Q1540 P1541 T1553 G1554 Y1555 S1556 | S1536-R1631 PolarHBondContact N-O 3.37Å; S1536-R1631 PolarHBondContact OG-N 3.03Å; S1536-R1631 PolarHBondContact OG-O 2.98Å; D1538-R1631 PolarHBondContact O-N 2.73Å; S1539-R1631 WeakPolarHBondContact O-CG 3.46Å; Q1540-R1631 WeakPolarHBondContact O-CB 3.27Å; P1541-R1631 HydrophobicContact CB-CB 4.32Å; P1541-R1631 HydrophobicContact CG-CB 4.25Å; P1541-R1631 HydrophobicContact CG-CG 4.47Å; T1553-R1631 PolarHBondContact OG1-NH2 3.19Å; G1554-R1631 WeakPolarHBondContact O-CA 3.5Å; G1554-R1631 PolarHBondContact O-NE 2.89Å; G1554-R1631 PolarHBondContact O-NH1 2.82Å; Y1555-R1631 VanDerWaalsContact CE1-NH1 3.32Å; Y1555-R1631 VanDerWaalsContact CG-NH1 3.31Å; S1556-R1631 PolarHBondContact OG-O 2.77Å |
| 1632 | C | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 163.4 | 177 | 55 | 0 | 0 | 0 | 0 | 111.4 | T1533 V1534 T1553 G1554 Y1555 C1577 | T1533-C1632 HydrophobicContact CG2-CB 3.78Å; V1534-C1632 CarbonylContact O-C 3.54Å; V1534-C1632 WeakPolarHBondContact O-CA 3.3Å; V1534-C1632 WeakPolarHBondContact O-CB 3.34Å; T1553-C1632 CarbonylContact C-O 3.5Å; T1553-C1632 VanDerWaalsContact CA-O 3.25Å; T1553-C1632 WeakPolarHBondContact CA-O 3.38Å; T1553-C1632 WeakPolarHBondContact CB-O 3.39Å; G1554-C1632 PolarHBondContact N-O 2.92Å; G1554-C1632 PolarHBondContact O-N 2.9Å; G1554-C1632 PolarHBondContact O-SG 2.94Å; G1554-C1632 VanDerWaalsContact O-SG 3.39Å; Y1555-C1632 VanDerWaalsContact C-SG 3.54Å; C1577-C1632 WeakPolarHBondContact CA-SG 3.13Å; C1577-C1632 HydrophobicContact CB-CB 3.97Å; C1577-C1632 WeakPolarHBondContact CB-SG 3.36Å; C1577-C1632 VanDerWaalsContact SG-C 3.57Å; C1577-C1632 WeakPolarHBondContact SG-CB 3.19Å; C1577-C1632 CovalentContact SG-SG 2.04Å; C1577-C1632 PolarHBondContact SG-SG 2.86Å |
| 1633 | I | 98.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140.5 | 169 | -165 | 165.4 | 0 | 0 | 0 | 108.4 | T1533 V1534 P1542 P1550 Y1552 T1553 | T1533-I1633 WeakPolarHBondContact CA-O 3.29Å; V1534-I1633 HydrophobicContact CB-CG2 4.03Å; V1534-I1633 PolarHBondContact N-O 2.78Å; V1534-I1633 PolarHBondContact O-N 2.87Å; P1542-I1633 HydrophobicContact CG-CB 4.47Å; P1542-I1633 HydrophobicContact CG-CG2 3.87Å; P1542-I1633 WeakPolarHBondContact O-CG2 3.33Å; P1550-I1633 HydrophobicContact CB-CD1 3.84Å; P1550-I1633 HydrophobicContact CB-CG1 4.47Å; Y1552-I1633 CarbonylContact O-C 3.48Å; Y1552-I1633 WeakPolarHBondContact O-CA 3.44Å; Y1552-I1633 WeakPolarHBondContact O-CG1 2.94Å; T1553-I1633 HydrophobicContact CG2-CB 4.18Å; T1553-I1633 HydrophobicContact CG2-CD1 3.94Å; T1553-I1633 HydrophobicContact CG2-CG1 3.85Å |
| 1634 | V | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.4 | 168.1 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | L1531 F1532 I1551 Y1552 P1574 C1577 | L1531-V1634 HydrophobicContact CB-CG1 4.38Å; F1532-V1634 WeakPolarHBondContact O-CA 3.3Å; I1551-V1634 HydrophobicContact CB-CG1 4.47Å; I1551-V1634 WeakPolarHBondContact CB-O 3.29Å; I1551-V1634 PolarHBondContact N-O 3.18Å; Y1552-V1634 HydrophobicContact CD1-CB 4.32Å; Y1552-V1634 HydrophobicContact CD2-CG2 4.27Å; Y1552-V1634 HydrophobicContact CE1-CB 4.07Å; Y1552-V1634 HydrophobicContact CE1-CG1 4.45Å; Y1552-V1634 HydrophobicContact CE1-CG2 3.93Å; Y1552-V1634 HydrophobicContact CE2-CB 4.33Å; Y1552-V1634 HydrophobicContact CE2-CG2 3.62Å; Y1552-V1634 VanDerWaalsContact CZ-CG2 3.44Å; Y1552-V1634 PolarHBondContact O-N 2.04Å; P1574-V1634 HydrophobicContact CB-CG1 4.12Å; P1574-V1634 HydrophobicContact CB-CG2 4.11Å; P1574-V1634 HydrophobicContact CG-CG1 3.92Å; C1577-V1634 HydrophobicContact CB-CG2 3.69Å |
| 1635 | C | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 154.6 | -178.9 | -51.7 | 0 | 0 | 0 | 0 | 110 | L1531 F1532 C1544 T1549 | L1531-C1635 WeakPolarHBondContact CA-O 3.5Å; F1532-C1635 HydrophobicContact CD1-CB 4.15Å; F1532-C1635 WeakPolarHBondContact CD1-O 3.42Å; F1532-C1635 HydrophobicContact CD2-CB 4.48Å; F1532-C1635 HydrophobicContact CE1-CB 3.5Å; F1532-C1635 VanDerWaalsContact CE1-CB 3.5Å; F1532-C1635 HydrophobicContact CE2-CB 3.89Å; F1532-C1635 HydrophobicContact CZ-CB 3.37Å; F1532-C1635 PolarHBondContact N-O 2.94Å; F1532-C1635 PolarHBondContact O-N 2.89Å; C1544-C1635 WeakPolarHBondContact CA-SG 3.38Å; C1544-C1635 HydrophobicContact CB-CB 3.96Å; C1544-C1635 WeakPolarHBondContact CB-SG 3.34Å; C1544-C1635 WeakPolarHBondContact SG-CB 3.41Å; C1544-C1635 CovalentContact SG-SG 2.04Å; C1544-C1635 PolarHBondContact SG-SG 2.8Å; T1549-C1635 CarbonylContact O-C 3.57Å; T1549-C1635 VanDerWaalsContact O-CA 3.26Å; T1549-C1635 WeakPolarHBondContact O-CA 3.22Å |
| 1636 | Q | 94.3 | Very high | 94.5 | Very high | 60 Ų | 60 | 39.1 Ų | 39.1 | 28% | 0.28 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136 | 173.7 | -176.5 | -173.7 | 30.1 | 0 | 0 | 110.2 | F1530 L1531 T1548 T1549 I1551 | F1530-Q1636 WeakPolarHBondContact O-CA 3.4Å; L1531-Q1636 HydrophobicContact CD2-CB 3.71Å; L1531-Q1636 HydrophobicContact CD2-CG 3.98Å; T1548-Q1636 CarbonylContact C-O 3.39Å; T1548-Q1636 VanDerWaalsContact CA-O 3.27Å; T1548-Q1636 WeakPolarHBondContact CA-O 3.04Å; T1548-Q1636 VanDerWaalsContact CB-O 3.23Å; T1548-Q1636 WeakPolarHBondContact CB-O 3.06Å; T1549-Q1636 PolarHBondContact N-O 3.49Å; T1549-Q1636 PolarHBondContact O-N 3.41Å; I1551-Q1636 HydrophobicContact CD1-CB 3.82Å; I1551-Q1636 HydrophobicContact CG1-CB 3.99Å |
| 1637 | S | 91.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.5 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | G1529 F1530 T1639 R1753 | G1529-S1637 CarbonylContact C-O 3.58Å; G1529-S1637 VanDerWaalsContact C-O 3.3Å; G1529-S1637 WeakPolarHBondContact CA-O 3.47Å; F1530-S1637 PolarHBondContact N-O 3.24Å; F1530-S1637 PolarHBondContact O-N 3.34Å; S1637-T1639 VanDerWaalsContact C-N 3.27Å; S1637-T1639 VanDerWaalsContact CB-O 3.26Å; S1637-T1639 WeakPolarHBondContact CB-O 3.46Å; S1637-T1639 PolarHBondContact O-N 3.45Å; S1637-T1639 PolarHBondContact OG-N 3.15Å; S1637-T1639 PolarHBondContact OG-O 3.14Å; S1637-R1753 WeakPolarHBondContact OG-CD 3.48Å |
| 1638 | R | 87.6 | Confident | 94.4 | Very high | 158 Ų | 158 | 39.6 Ų | 39.6 | 60% | 0.596 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -71.2 | -22.6 | 172.9 | -67.4 | -170.8 | -179.4 | 163.5 | -4.4 | 113.4 | M1756 | R1638-M1756 HydrophobicContact CB-CE 4.17Å; R1638-M1756 HydrophobicContact CG-CE 4.11Å |
| 1639 | T | 87.9 | Confident | 94.1 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -128 | 150.9 | 178.8 | 44.5 | 0 | 0 | 0 | 0 | 111 | F1530 S1637 L1641 R1753 R1754 L1759 | F1530-T1639 VanDerWaalsContact CD2-C 3.45Å; S1637-T1639 VanDerWaalsContact C-N 3.27Å; S1637-T1639 VanDerWaalsContact CB-O 3.26Å; S1637-T1639 WeakPolarHBondContact CB-O 3.46Å; S1637-T1639 PolarHBondContact O-N 3.45Å; S1637-T1639 PolarHBondContact OG-N 3.15Å; S1637-T1639 PolarHBondContact OG-O 3.14Å; T1639-L1641 WeakPolarHBondContact O-CD1 3.17Å; T1639-R1753 VanDerWaalsContact OG1-CD 3.26Å; T1639-R1753 WeakPolarHBondContact OG1-CD 3.46Å; T1639-R1753 WeakPolarHBondContact OG1-CG 3.44Å; T1639-R1754 HydrophobicContact CG2-CB 4.46Å; T1639-R1754 PolarHBondContact OG1-O 3.09Å; T1639-L1759 HydrophobicContact CG2-CD1 3.31Å |
| 1640 | W | 86.8 | Confident | 93.8 | Very high | 135 Ų | 135 | 44.1 Ų | 44.1 | 51% | 0.511 | 20% | 0.197 | S | C | . | . | trans | -55.2 | 148.8 | 173.1 | 66.6 | -45.1 | 0 | 0 | 0 | 113.1 | F1530 V1642 W1659 | F1530-W1640 HydrophobicContact CD1-CB 3.92Å; F1530-W1640 HydrophobicContact CE1-CB 3.95Å; F1530-W1640 HydrophobicContact CG-CB 4.27Å; F1530-W1640 HydrophobicContact CZ-CB 4.34Å; W1640-V1642 HydrophobicContact CD2-CG2 3.79Å; W1640-V1642 HydrophobicContact CE3-CG2 3.27Å; W1640-V1642 HydrophobicContact CH2-CG2 3.76Å; W1640-V1642 HydrophobicContact CZ2-CG2 4.22Å; W1640-V1642 HydrophobicContact CZ3-CG2 3.26Å; W1640-W1659 HydrophobicContact CD2-CH2 4.23Å; W1640-W1659 AromaticContact CE2-CH2 3.55Å; W1640-W1659 HydrophobicContact CH2-CH2 4.29Å; W1640-W1659 AromaticContact CZ2-CH2 3.6Å; W1640-W1659 HydrophobicContact CZ2-CH2 3.6Å; W1640-W1659 AromaticContact CZ2-CZ2 3.95Å; W1640-W1659 HydrophobicContact CZ2-CZ2 3.95Å; W1640-W1659 AromaticContact NE1-CH2 3.67Å | ||
| 1641 | L | 93.2 | Very high | 93.1 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.6 | 172.4 | -78.1 | 75.9 | 0 | 0 | 0 | 108.9 | F1532 T1639 A1662 W1663 P1686 V1751 C1752 R1753 | F1532-L1641 HydrophobicContact CD1-CD1 3.74Å; F1532-L1641 HydrophobicContact CD1-CD2 4.15Å; F1532-L1641 HydrophobicContact CD2-CD2 3.73Å; F1532-L1641 HydrophobicContact CE1-CD1 3.79Å; F1532-L1641 HydrophobicContact CE1-CD2 4.02Å; F1532-L1641 HydrophobicContact CE2-CD2 3.58Å; F1532-L1641 HydrophobicContact CG-CD1 4.24Å; F1532-L1641 HydrophobicContact CG-CD2 4.01Å; F1532-L1641 HydrophobicContact CZ-CD1 4.31Å; F1532-L1641 HydrophobicContact CZ-CD2 3.72Å; T1639-L1641 WeakPolarHBondContact O-CD1 3.17Å; L1641-A1662 HydrophobicContact CD2-CB 3.97Å; L1641-W1663 HydrophobicContact CD2-CH2 4.47Å; L1641-W1663 HydrophobicContact CD2-CZ3 3.96Å; L1641-P1686 HydrophobicContact CB-CG 3.86Å; L1641-V1751 HydrophobicContact CB-CG1 3.95Å; L1641-V1751 HydrophobicContact CD2-CG1 3.95Å; L1641-V1751 HydrophobicContact CG-CG1 4.4Å; L1641-C1752 WeakPolarHBondContact CA-O 3.38Å; L1641-R1753 HydrophobicContact CD1-CB 4.4Å; L1641-R1753 HydrophobicContact CD1-CG 4.32Å; L1641-R1753 HydrophobicContact CG-CB 4.14Å |
| 1642 | V | 95.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.6 | -177.3 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | W1640 F1644 W1659 E1684 V1751 C1752 | W1640-V1642 HydrophobicContact CD2-CG2 3.79Å; W1640-V1642 HydrophobicContact CE3-CG2 3.27Å; W1640-V1642 HydrophobicContact CH2-CG2 3.76Å; W1640-V1642 HydrophobicContact CZ2-CG2 4.22Å; W1640-V1642 HydrophobicContact CZ3-CG2 3.26Å; V1642-F1644 HydrophobicContact CB-CD2 4.42Å; V1642-F1644 HydrophobicContact CB-CE2 3.84Å; V1642-F1644 HydrophobicContact CB-CZ 4.39Å; V1642-F1644 HydrophobicContact CG1-CD2 4.18Å; V1642-F1644 HydrophobicContact CG1-CE2 3.78Å; V1642-F1644 HydrophobicContact CG1-CZ 4.02Å; V1642-W1659 HydrophobicContact CB-CH2 4.32Å; V1642-W1659 HydrophobicContact CB-CZ3 4.01Å; V1642-W1659 HydrophobicContact CG2-CH2 3.69Å; V1642-W1659 HydrophobicContact CG2-CZ3 3.76Å; V1642-E1684 WeakPolarHBondContact CA-O 3.36Å; V1642-V1751 WeakPolarHBondContact O-CA 3.49Å; V1642-C1752 PolarHBondContact N-O 2.93Å; V1642-C1752 PolarHBondContact O-N 3.48Å |
| 1643 | A | 96.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1683 E1684 S1685 S1688 C1689 V1751 | A1643-L1683 WeakPolarHBondContact CB-O 3.17Å; A1643-E1684 PolarHBondContact N-O 3.14Å; A1643-S1685 WeakPolarHBondContact CB-O 3.26Å; A1643-S1688 WeakPolarHBondContact CB-OG 3.22Å; A1643-C1689 HydrophobicContact CB-CB 4.04Å; A1643-V1751 HydrophobicContact CB-CG2 4.17Å |
| 1644 | F | 96.4 | Very high | 90.3 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 26% | 0.263 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 150.4 | 166 | -66.4 | -92.9 | 0 | 0 | 0 | 108.9 | V1642 M1654 P1656 W1659 C1749 S1750 C1752 | V1642-F1644 HydrophobicContact CB-CD2 4.42Å; V1642-F1644 HydrophobicContact CB-CE2 3.84Å; V1642-F1644 HydrophobicContact CB-CZ 4.39Å; V1642-F1644 HydrophobicContact CG1-CD2 4.18Å; V1642-F1644 HydrophobicContact CG1-CE2 3.78Å; V1642-F1644 HydrophobicContact CG1-CZ 4.02Å; F1644-M1654 HydrophobicContact CB-CE 3.96Å; F1644-M1654 WeakPolarHBondContact O-CE 3.42Å; F1644-P1656 HydrophobicContact CE1-CG 3.77Å; F1644-P1656 HydrophobicContact CE2-CG 4.28Å; F1644-P1656 HydrophobicContact CZ-CG 3.62Å; F1644-W1659 HydrophobicContact CE2-CE3 4.3Å; F1644-W1659 HydrophobicContact CE2-CZ3 4.39Å; F1644-C1749 CarbonylContact O-C 3.51Å; F1644-C1749 WeakPolarHBondContact O-CA 3.12Å; F1644-C1749 VanDerWaalsContact O-CB 3.3Å; F1644-C1749 WeakPolarHBondContact O-CB 3.38Å; F1644-S1750 PolarHBondContact N-O 3.09Å; F1644-S1750 PolarHBondContact O-N 3.23Å; F1644-C1752 HydrophobicContact CD2-CB 4Å; F1644-C1752 HydrophobicContact CE2-CB 3.96Å |
| 1645 | H | 95.4 | Very high | 90.1 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.6 | 178.8 | -64.1 | -75.8 | 0 | 0 | 0 | 110.3 | M1654 S1667 L1683 S1688 M1719 | H1645-M1654 VanDerWaalsContact CA-CE 3.42Å; H1645-S1667 WeakPolarHBondContact ND1-CB 3.48Å; H1645-S1667 PolarHBondContact ND1-OG 3.2Å; H1645-L1683 PolarHBondContact NE2-O 2.79Å; H1645-S1688 PolarHBondContact CE1-OG 3.08Å; H1645-S1688 PolarHBondContact NE2-OG 3.11Å; H1645-M1719 HydrophobicContact CB-CE 4Å; H1645-M1719 HydrophobicContact CB-SD 3.87Å |
| 1646 | S | 94 | Very high | 89.8 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | trans | -81.7 | -23.8 | -176 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | R1648 D1650 R1748 | S1646-R1648 PolarHBondContact O-N 3.32Å; S1646-R1648 PolarHBondContact OG-N 2.95Å; S1646-R1648 VanDerWaalsContact OG-N 3.11Å; S1646-R1648 PolarHBondContact OG-O 3.47Å; S1646-R1648 VanDerWaalsContact OG-O 3.09Å; S1646-D1650 PolarHBondContact OG-O 2.77Å; S1646-R1748 PolarHBondContact N-O 2.79Å; S1646-R1748 PolarHBondContact OG-N 2.64Å; S1646-R1748 PolarHBondContact OG-O 2.99Å | ||
| 1647 | Q | 93.1 | Very high | 89.6 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 51.8 | 30.2 | -160.6 | -59.7 | -167.4 | -97.7 | 0 | 0 | 112.5 | M1719 S1721 I1722 S1747 | Q1647-M1719 HydrophobicContact CG-CG 4.44Å; Q1647-M1719 HydrophobicContact CG-SD 3.61Å; Q1647-S1721 CarbonylContact O-C 3.23Å; Q1647-S1721 WeakPolarHBondContact O-CA 3.36Å; Q1647-I1722 PolarHBondContact O-N 3.45Å; Q1647-S1747 VanDerWaalsContact CA-OG 3.27Å; Q1647-S1747 WeakPolarHBondContact CA-OG 3.37Å; Q1647-S1747 PolarHBondContact N-OG 3.25Å |
| 1648 | R | 92 | Very high | 89.4 | Confident | 116 Ų | 116 | 64.2 Ų | 64.2 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -136.3 | 163.6 | 179.2 | -61.7 | 173 | -174.6 | -179.1 | -0.5 | 110.6 | S1646 D1650 S1747 R1748 | S1646-R1648 PolarHBondContact O-N 3.32Å; S1646-R1648 PolarHBondContact OG-N 2.95Å; S1646-R1648 VanDerWaalsContact OG-N 3.11Å; S1646-R1648 PolarHBondContact OG-O 3.47Å; S1646-R1648 VanDerWaalsContact OG-O 3.09Å; R1648-D1650 VanDerWaalsContact C-N 3.29Å; R1648-D1650 WeakPolarHBondContact CB-OD1 3.27Å; R1648-D1650 VanDerWaalsContact CD-OD1 3.27Å; R1648-D1650 WeakPolarHBondContact CD-OD1 3.26Å; R1648-S1747 CarbonylContact O-C 3.42Å; R1648-S1747 VanDerWaalsContact O-CA 3.31Å; R1648-S1747 WeakPolarHBondContact O-CA 3.45Å; R1648-R1748 PolarHBondContact O-N 2.95Å |
| 1649 | D | 89 | Confident | 89.6 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -77.6 | -15.8 | 172.9 | 55.8 | -39.1 | 0 | 0 | 0 | 113.1 | Q1744 R1748 | D1649-Q1744 WeakPolarHBondContact CB-O 3.36Å; D1649-R1748 WeakPolarHBondContact O-CD 3.33Å; D1649-R1748 WeakPolarHBondContact O-CG 3.21Å |
| 1650 | D | 90 | Very high | 89.7 | Confident | 73 Ų | 73 | 61 Ų | 61 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -93.3 | 162.9 | 168.7 | 83.1 | -59.3 | 0 | 0 | 0 | 113.4 | S1646 R1648 G1652 R1748 | S1646-D1650 PolarHBondContact OG-O 2.77Å; R1648-D1650 VanDerWaalsContact C-N 3.29Å; R1648-D1650 WeakPolarHBondContact CB-OD1 3.27Å; R1648-D1650 VanDerWaalsContact CD-OD1 3.27Å; R1648-D1650 WeakPolarHBondContact CD-OD1 3.26Å; D1650-G1652 WeakPolarHBondContact OD2-CA 3.47Å; D1650-G1652 PolarHBondContact OD2-N 3.16Å; D1650-G1652 VanDerWaalsContact OD2-N 3.13Å; D1650-R1748 WeakPolarHBondContact O-CB 3.33Å; D1650-R1748 VanDerWaalsContact O-CG 3.26Å; D1650-R1748 WeakPolarHBondContact O-CG 3.36Å |
| 1651 | I | 83.8 | Confident | 90 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | trans | -90.2 | -37.2 | 173.7 | -66.3 | 163.1 | 0 | 0 | 0 | 110.7 | M1654 N1664 R1748 | I1651-M1654 HydrophobicContact CG2-SD 4.06Å; I1651-M1654 WeakPolarHBondContact O-CG 3.29Å; I1651-N1664 HydrophobicContact CD1-CB 3.83Å; I1651-R1748 HydrophobicContact CG1-CB 3.79Å; I1651-R1748 HydrophobicContact CG1-CG 4.03Å | ||
| 1652 | G | 79.1 | Confident | 90 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | trans | 52.2 | -144.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1650 | D1650-G1652 WeakPolarHBondContact OD2-CA 3.47Å; D1650-G1652 PolarHBondContact OD2-N 3.16Å; D1650-G1652 VanDerWaalsContact OD2-N 3.13Å | ||
| 1653 | Q | 74.7 | Confident | 89.9 | Confident | 180 Ų | 180 | 59.2 Ų | 59.2 | 84% | 0.841 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -104 | 84.8 | 176 | -171 | 174.5 | 15 | 0 | 0 | 110.3 | ||
| 1654 | M | 81.6 | Confident | 89.9 | Confident | 24 Ų | 24 | 62 Ų | 62 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | trans | -94.2 | -27.5 | -172 | -85.7 | 173.9 | 81.7 | 0 | 0 | 116.4 | F1644 H1645 I1651 P1656 S1750 | F1644-M1654 HydrophobicContact CB-CE 3.96Å; F1644-M1654 WeakPolarHBondContact O-CE 3.42Å; H1645-M1654 VanDerWaalsContact CA-CE 3.42Å; I1651-M1654 HydrophobicContact CG2-SD 4.06Å; I1651-M1654 WeakPolarHBondContact O-CG 3.29Å; M1654-P1656 WeakPolarHBondContact O-CD 3.45Å; M1654-S1750 VanDerWaalsContact CB-OG 3.31Å; M1654-S1750 WeakPolarHBondContact CB-OG 3.27Å; M1654-S1750 PolarHBondContact SD-OG 3.01Å | ||
| 1655 | C | 93.6 | Very high | 89.8 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 14% | 0.135 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -77.9 | 124.3 | 170.4 | -60.8 | 0 | 0 | 0 | 0 | 108.4 | W1659 N1661 C1752 | C1655-W1659 HydrophobicContact CB-CB 4.08Å; C1655-N1661 PolarHBondContact SG-ND2 3.44Å; C1655-C1752 WeakPolarHBondContact CA-SG 3.07Å; C1655-C1752 HydrophobicContact CB-CB 3.77Å; C1655-C1752 WeakPolarHBondContact CB-SG 3.07Å; C1655-C1752 WeakPolarHBondContact SG-CB 3.45Å; C1655-C1752 CovalentContact SG-SG 2.04Å; C1655-C1752 PolarHBondContact SG-SG 3.06Å |
| 1656 | P | 91.1 | Very high | 89.9 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 158.8 | 178 | -22.1 | 32.9 | 0 | 0 | 0 | 111.9 | F1644 M1654 G1658 W1659 | F1644-P1656 HydrophobicContact CE1-CG 3.77Å; F1644-P1656 HydrophobicContact CE2-CG 4.28Å; F1644-P1656 HydrophobicContact CZ-CG 3.62Å; M1654-P1656 WeakPolarHBondContact O-CD 3.45Å; P1656-G1658 PolarHBondContact O-N 3.02Å; P1656-W1659 HydrophobicContact CB-CG 4.4Å; P1656-W1659 HydrophobicContact CG-CG 4.43Å; P1656-W1659 VanDerWaalsContact O-CB 3.26Å; P1656-W1659 WeakPolarHBondContact O-CB 3.46Å; P1656-W1659 PolarHBondContact O-N 3.39Å |
| 1657 | P | 89.2 | Confident | 90 | Very high | 121 Ų | 121 | 57.1 Ų | 57.1 | 79% | 0.786 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 135.1 | 170.4 | -27 | 35.9 | 0 | 0 | 0 | 111.7 | ||
| 1658 | G | 87.3 | Confident | 90.1 | Very high | 37 Ų | 37 | 53 Ų | 53 | 38% | 0.381 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1656 A1755 S1758 | P1656-G1658 PolarHBondContact O-N 3.02Å; G1658-A1755 WeakPolarHBondContact O-CB 3.29Å; G1658-A1755 PolarHBondContact O-N 2.74Å; G1658-S1758 PolarHBondContact O-OG 2.99Å |
| 1659 | W | 91.4 | Very high | 90.2 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 19% | 0.193 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.7 | 174.2 | -63.1 | 64.9 | 0 | 0 | 0 | 111.9 | W1640 V1642 F1644 C1655 P1656 C1752 R1753 R1754 | W1640-W1659 HydrophobicContact CD2-CH2 4.23Å; W1640-W1659 AromaticContact CE2-CH2 3.55Å; W1640-W1659 HydrophobicContact CH2-CH2 4.29Å; W1640-W1659 AromaticContact CZ2-CH2 3.6Å; W1640-W1659 HydrophobicContact CZ2-CH2 3.6Å; W1640-W1659 AromaticContact CZ2-CZ2 3.95Å; W1640-W1659 HydrophobicContact CZ2-CZ2 3.95Å; W1640-W1659 AromaticContact NE1-CH2 3.67Å; V1642-W1659 HydrophobicContact CB-CH2 4.32Å; V1642-W1659 HydrophobicContact CB-CZ3 4.01Å; V1642-W1659 HydrophobicContact CG2-CH2 3.69Å; V1642-W1659 HydrophobicContact CG2-CZ3 3.76Å; F1644-W1659 HydrophobicContact CE2-CE3 4.3Å; F1644-W1659 HydrophobicContact CE2-CZ3 4.39Å; C1655-W1659 HydrophobicContact CB-CB 4.08Å; P1656-W1659 HydrophobicContact CB-CG 4.4Å; P1656-W1659 HydrophobicContact CG-CG 4.43Å; P1656-W1659 VanDerWaalsContact O-CB 3.26Å; P1656-W1659 WeakPolarHBondContact O-CB 3.46Å; P1656-W1659 PolarHBondContact O-N 3.39Å; W1659-C1752 HydrophobicContact CB-CB 4.25Å; W1659-C1752 HydrophobicContact CE3-CB 3.88Å; W1659-R1753 CarbonylContact C-O 3.6Å; W1659-R1753 WeakPolarHBondContact CA-O 2.97Å; W1659-R1753 WeakPolarHBondContact CB-O 3.28Å; W1659-R1754 HydrophobicContact CD2-CB 4.09Å; W1659-R1754 HydrophobicContact CE3-CB 4.26Å; W1659-R1754 VanDerWaalsContact CE3-N 3.25Å; W1659-R1754 HydrophobicContact CH2-CB 4.31Å; W1659-R1754 HydrophobicContact CZ2-CB 4.15Å; W1659-R1754 HydrophobicContact CZ3-CB 4.36Å |
| 1660 | E | 90.7 | Very high | 90.2 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 152 | 173.8 | 67.7 | -165.9 | 122.3 | 0 | 0 | 110.8 | C1752 R1753 A1755 | E1660-C1752 CarbonylContact O-C 3.58Å; E1660-C1752 VanDerWaalsContact O-CA 3.23Å; E1660-C1752 WeakPolarHBondContact O-CA 3.07Å; E1660-R1753 VanDerWaalsContact CD-NE 3.31Å; E1660-R1753 HydrophobicContact CG-CB 3.93Å; E1660-R1753 PolarHBondContact N-O 2.87Å; E1660-R1753 PolarHBondContact O-N 2.98Å; E1660-R1753 IonicContact OE1-CZ 3.79Å; E1660-R1753 VanDerWaalsContact OE1-CZ 3.29Å; E1660-R1753 IonicContact OE1-NE 3.12Å; E1660-R1753 PolarHBondContact OE1-NE 3.01Å; E1660-R1753 IonicContact OE1-NH2 3.29Å; E1660-R1753 PolarHBondContact OE1-NH2 2.8Å; E1660-R1753 VanDerWaalsContact OE1-NH2 3.12Å; E1660-R1753 IonicContact OE2-CZ 2.82Å; E1660-R1753 IonicContact OE2-NE 2.73Å; E1660-R1753 IonicContact OE2-NH2 3.64Å; E1660-R1753 PolarHBondContact OE2-NH2 3.48Å; E1660-A1755 HydrophobicContact CB-CB 4.41Å; E1660-A1755 WeakPolarHBondContact OE1-CA 3.46Å |
| 1661 | N | 93 | Very high | 90 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128.6 | 177.7 | -168.4 | -92.6 | 0 | 0 | 0 | 110.7 | C1655 W1663 N1664 | C1655-N1661 PolarHBondContact SG-ND2 3.44Å; N1661-W1663 PolarHBondContact OD1-N 2.87Å; N1661-N1664 PolarHBondContact ND2-OD1 3.25Å; N1661-N1664 PolarHBondContact OD1-OD1 3.12Å |
| 1662 | A | 93.1 | Very high | 90 | Very high | 26 Ų | 26 | 44 Ų | 44 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1545 L1641 V1751 | P1545-A1662 HydrophobicContact CB-CB 4.21Å; P1545-A1662 HydrophobicContact CG-CB 4.23Å; L1641-A1662 HydrophobicContact CD2-CB 3.97Å; A1662-V1751 HydrophobicContact CB-CG1 4.41Å; A1662-V1751 WeakPolarHBondContact CB-O 2.94Å; A1662-V1751 PolarHBondContact N-O 2.76Å |
| 1663 | W | 94.2 | Very high | 89.9 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 165.2 | 165 | 65.1 | 92 | 0 | 0 | 0 | 112.1 | F1532 V1534 P1545 L1641 N1661 P1686 C1689 Q1691 V1751 | F1532-W1663 HydrophobicContact CD2-CH2 4.1Å; F1532-W1663 HydrophobicContact CD2-CZ3 4.18Å; F1532-W1663 HydrophobicContact CE2-CH2 4.22Å; F1532-W1663 AromaticContact CE2-CZ3 3.84Å; F1532-W1663 HydrophobicContact CE2-CZ3 3.84Å; V1534-W1663 HydrophobicContact CG2-CE3 4.43Å; V1534-W1663 HydrophobicContact CG2-CH2 3.87Å; V1534-W1663 HydrophobicContact CG2-CZ3 3.75Å; P1545-W1663 HydrophobicContact CG-CE3 4.05Å; P1545-W1663 HydrophobicContact CG-CZ3 4.06Å; L1641-W1663 HydrophobicContact CD2-CH2 4.47Å; L1641-W1663 HydrophobicContact CD2-CZ3 3.96Å; N1661-W1663 PolarHBondContact OD1-N 2.87Å; W1663-P1686 HydrophobicContact CH2-CB 3.76Å; W1663-P1686 HydrophobicContact CZ2-CB 3.8Å; W1663-C1689 PolarHBondContact NE1-O 3.44Å; W1663-Q1691 HydrophobicContact CB-CG 4.33Å; W1663-Q1691 HydrophobicContact CG-CG 3.96Å; W1663-V1751 HydrophobicContact CD2-CB 3.84Å; W1663-V1751 HydrophobicContact CD2-CG1 4.47Å; W1663-V1751 HydrophobicContact CD2-CG2 4.01Å; W1663-V1751 HydrophobicContact CE3-CB 4.09Å; W1663-V1751 HydrophobicContact CE3-CG1 4.27Å; W1663-V1751 HydrophobicContact CG-CB 4.39Å; W1663-V1751 HydrophobicContact CG-CG2 4.49Å; W1663-V1751 HydrophobicContact CH2-CB 4.22Å; W1663-V1751 HydrophobicContact CH2-CG1 3.9Å; W1663-V1751 HydrophobicContact CH2-CG2 4.22Å; W1663-V1751 HydrophobicContact CZ2-CB 3.99Å; W1663-V1751 HydrophobicContact CZ2-CG1 4.1Å; W1663-V1751 HydrophobicContact CZ2-CG2 3.56Å; W1663-V1751 HydrophobicContact CZ3-CB 4.24Å; W1663-V1751 HydrophobicContact CZ3-CG1 3.96Å; W1663-V1751 PolarHBondContact N-O 2.82Å; W1663-V1751 PolarHBondContact O-N 3.18Å |
| 1664 | N | 95.6 | Very high | 89.7 | Confident | 63 Ų | 63 | 34.4 Ų | 34.4 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 155.7 | 173 | -62.6 | -43.4 | 0 | 0 | 0 | 110.8 | I1651 N1661 C1749 S1750 | I1651-N1664 HydrophobicContact CD1-CB 3.83Å; N1661-N1664 PolarHBondContact ND2-OD1 3.25Å; N1661-N1664 PolarHBondContact OD1-OD1 3.12Å; N1664-C1749 WeakPolarHBondContact CA-O 3.45Å; N1664-S1750 PolarHBondContact OD1-OG 3.15Å |
| 1665 | G | 95.1 | Very high | 89 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | -150.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1690 R1748 C1749 | G1665-L1690 CarbonylContact C-O 3.59Å; G1665-L1690 WeakPolarHBondContact CA-O 3.42Å; G1665-R1748 PolarHBondContact O-NE 3.38Å; G1665-R1748 PolarHBondContact O-NH2 3.41Å; G1665-C1749 VanDerWaalsContact CA-SG 3.57Å; G1665-C1749 PolarHBondContact N-O 3.04Å; G1665-C1749 PolarHBondContact O-N 3.21Å |
| 1666 | F | 96 | Very high | 87.9 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.5 | 179.5 | -60.5 | -89.9 | 0 | 0 | 0 | 110.6 | F1668 L1690 F1693 W1718 L1743 V1746 R1748 C1749 | F1666-F1668 PolarHBondContact O-N 3.4Å; F1666-L1690 PolarHBondContact N-O 3.29Å; F1666-L1690 PolarHBondContact O-N 3.39Å; F1666-F1693 HydrophobicContact CB-CB 4.43Å; F1666-F1693 HydrophobicContact CD1-CB 4.06Å; F1666-F1693 HydrophobicContact CD2-CB 3.79Å; F1666-F1693 VanDerWaalsContact CD2-N 3.27Å; F1666-F1693 HydrophobicContact CE1-CB 4.21Å; F1666-F1693 HydrophobicContact CE2-CB 3.94Å; F1666-F1693 HydrophobicContact CG-CB 3.83Å; F1666-F1693 HydrophobicContact CZ-CB 4.13Å; F1666-W1718 HydrophobicContact CB-CE3 3.85Å; F1666-W1718 HydrophobicContact CB-CZ3 3.51Å; F1666-L1743 HydrophobicContact CD1-CD2 4.26Å; F1666-L1743 HydrophobicContact CE1-CD2 3.53Å; F1666-L1743 HydrophobicContact CZ-CD2 3.82Å; F1666-V1746 HydrophobicContact CB-CG1 4.01Å; F1666-V1746 HydrophobicContact CD1-CB 4.48Å; F1666-V1746 HydrophobicContact CD1-CG1 3.89Å; F1666-V1746 HydrophobicContact CG-CG1 4.43Å; F1666-R1748 VanDerWaalsContact CZ-CZ 3.46Å; F1666-R1748 VanDerWaalsContact CZ-NH2 3.33Å; F1666-C1749 PolarHBondContact N-SG 2.82Å; F1666-C1749 PolarHBondContact O-SG 3.11Å |
| 1667 | S | 96.6 | Very high | 87 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 104.8 | -168.1 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | H1645 P1669 W1718 M1719 S1747 R1748 | H1645-S1667 WeakPolarHBondContact ND1-CB 3.48Å; H1645-S1667 PolarHBondContact ND1-OG 3.2Å; S1667-P1669 WeakPolarHBondContact O-CD 3.11Å; S1667-W1718 CarbonylContact O-C 3.55Å; S1667-W1718 VanDerWaalsContact O-CA 3.24Å; S1667-W1718 WeakPolarHBondContact O-CA 3.31Å; S1667-M1719 PolarHBondContact O-N 2.78Å; S1667-S1747 VanDerWaalsContact CB-O 3.27Å; S1667-S1747 WeakPolarHBondContact CB-O 3.34Å; S1667-S1747 PolarHBondContact N-O 2.81Å; S1667-S1747 VanDerWaalsContact OG-C 3.31Å; S1667-S1747 WeakPolarHBondContact OG-CB 3.5Å; S1667-S1747 PolarHBondContact OG-O 2.99Å; S1667-S1747 PolarHBondContact OG-OG 3.31Å; S1667-S1747 VanDerWaalsContact OG-OG 3.12Å; S1667-R1748 PolarHBondContact OG-O 3.13Å; S1667-R1748 VanDerWaalsContact OG-O 3.04Å |
| 1668 | F | 95.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | trans | -112.7 | 83.8 | -172.9 | 174.9 | -114.4 | 0 | 0 | 0 | 112.1 | L1571 F1666 M1670 A1671 Q1681 S1688 L1690 P1697 W1718 | L1571-F1668 HydrophobicContact CD1-CD1 4.19Å; L1571-F1668 HydrophobicContact CD1-CE1 3.77Å; F1666-F1668 PolarHBondContact O-N 3.4Å; F1668-M1670 WeakPolarHBondContact CE2-O 3.47Å; F1668-A1671 HydrophobicContact CE2-CB 4.22Å; F1668-A1671 HydrophobicContact CZ-CB 3.77Å; F1668-Q1681 HydrophobicContact CD1-CG 4.06Å; F1668-Q1681 HydrophobicContact CE1-CG 4.05Å; F1668-S1688 PolarHBondContact N-O 3.39Å; F1668-L1690 HydrophobicContact CB-CD1 3.97Å; F1668-L1690 HydrophobicContact CB-CG 4.08Å; F1668-L1690 HydrophobicContact CD1-CD1 3.52Å; F1668-L1690 HydrophobicContact CD1-CG 3.9Å; F1668-L1690 HydrophobicContact CD2-CD1 4.23Å; F1668-L1690 HydrophobicContact CE1-CD1 4.03Å; F1668-L1690 HydrophobicContact CG-CD1 3.63Å; F1668-L1690 HydrophobicContact CG-CG 4.15Å; F1668-P1697 HydrophobicContact CD2-CG 4.42Å; F1668-P1697 HydrophobicContact CE2-CG 3.8Å; F1668-P1697 HydrophobicContact CZ-CG 4.14Å; F1668-W1718 HydrophobicContact CB-CE3 3.94Å; F1668-W1718 HydrophobicContact CB-CH2 4.1Å; F1668-W1718 HydrophobicContact CB-CZ3 3.67Å; F1668-W1718 HydrophobicContact CD2-CD2 4.45Å; F1668-W1718 HydrophobicContact CD2-CH2 4.24Å; F1668-W1718 HydrophobicContact CD2-CZ2 4.07Å; F1668-W1718 HydrophobicContact CD2-CZ3 4.47Å; F1668-W1718 HydrophobicContact CG-CH2 4.39Å; F1668-W1718 HydrophobicContact CG-CZ3 4.41Å | ||
| 1669 | P | 93.2 | Very high | 86 | Confident | 26 Ų | 26 | 31.7 Ų | 31.7 | 17% | 0.169 | 19% | 0.185 | C | C | . | . | trans | -73.8 | -26.2 | 177.9 | 26.8 | -36.2 | 0 | 0 | 0 | 115.4 | S1667 V1680 Q1681 L1683 Y1717 | S1667-P1669 WeakPolarHBondContact O-CD 3.11Å; P1669-V1680 CarbonylContact O-C 3.59Å; P1669-V1680 VanDerWaalsContact O-CA 3.26Å; P1669-V1680 WeakPolarHBondContact O-CA 3.19Å; P1669-V1680 WeakPolarHBondContact O-CG1 3.12Å; P1669-Q1681 PolarHBondContact O-N 2.71Å; P1669-L1683 HydrophobicContact CB-CD2 3.99Å; P1669-Y1717 VanDerWaalsContact CD-O 3.29Å; P1669-Y1717 WeakPolarHBondContact CD-O 3.05Å | ||
| 1670 | M | 90.2 | Very high | 86 | Confident | 61 Ų | 61 | 33.6 Ų | 33.6 | 30% | 0.3 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 143.8 | -166.9 | 177.4 | -166 | -67.9 | 0 | 0 | 114.9 | F1668 I1672 G1679 V1680 Y1717 | F1668-M1670 WeakPolarHBondContact CE2-O 3.47Å; M1670-I1672 HydrophobicContact CG-CG1 4.11Å; M1670-I1672 HydrophobicContact SD-CD1 3.83Å; M1670-I1672 HydrophobicContact SD-CG1 4.04Å; M1670-G1679 WeakPolarHBondContact CA-O 3.24Å; M1670-G1679 WeakPolarHBondContact CG-O 3.42Å; M1670-V1680 HydrophobicContact CE-CG2 4Å; M1670-Y1717 HydrophobicContact CB-CD2 4.4Å; M1670-Y1717 HydrophobicContact CG-CD2 4.12Å; M1670-Y1717 PolarHBondContact O-N 2.69Å; M1670-Y1717 HydrophobicContact SD-CD2 3.87Å; M1670-Y1717 HydrophobicContact SD-CE2 4.21Å; M1670-Y1717 HydrophobicContact SD-CG 4.22Å |
| 1671 | A | 84.4 | Confident | 86.1 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1668 G1678 G1679 F1698 | F1668-A1671 HydrophobicContact CE2-CB 4.22Å; F1668-A1671 HydrophobicContact CZ-CB 3.77Å; A1671-G1678 WeakPolarHBondContact O-CA 3.43Å; A1671-G1679 PolarHBondContact N-O 3.26Å; A1671-G1679 PolarHBondContact O-N 2.63Å; A1671-F1698 HydrophobicContact CB-CD1 3.59Å; A1671-F1698 HydrophobicContact CB-CE1 3.4Å; A1671-F1698 HydrophobicContact CB-CZ 4.2Å |
| 1672 | I | 84.1 | Confident | 86.2 | Confident | 40 Ų | 40 | 30 Ų | 30 | 21% | 0.205 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 122.7 | 176.2 | -54.8 | -174.4 | 0 | 0 | 0 | 109.2 | M1670 S1676 F1698 G1714 R1715 Y1717 | M1670-I1672 HydrophobicContact CG-CG1 4.11Å; M1670-I1672 HydrophobicContact SD-CD1 3.83Å; M1670-I1672 HydrophobicContact SD-CG1 4.04Å; I1672-S1676 VanDerWaalsContact CG2-C 3.49Å; I1672-S1676 WeakPolarHBondContact CG2-O 3.1Å; I1672-F1698 WeakPolarHBondContact O-CZ 3.27Å; I1672-G1714 CarbonylContact O-C 3.52Å; I1672-G1714 WeakPolarHBondContact O-CA 3.14Å; I1672-R1715 PolarHBondContact N-O 2.58Å; I1672-R1715 PolarHBondContact O-N 2.73Å; I1672-Y1717 HydrophobicContact CB-CE2 4.45Å; I1672-Y1717 HydrophobicContact CD1-CD2 4.46Å; I1672-Y1717 HydrophobicContact CD1-CE2 3.63Å; I1672-Y1717 HydrophobicContact CG1-CD2 4.43Å; I1672-Y1717 HydrophobicContact CG1-CE2 3.89Å |
| 1673 | G | 78.2 | Confident | 86.3 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | trans | -81.4 | -178.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1675 S1676 N1677 | G1673-S1675 PolarHBondContact O-N 3.28Å; G1673-S1675 VanDerWaalsContact O-N 3.12Å; G1673-S1676 PolarHBondContact O-N 3.29Å; G1673-N1677 PolarHBondContact N-O 3.12Å | ||
| 1674 | S | 69.1 | Low | 86.4 | Confident | 27 Ų | 27 | 37.1 Ų | 37.1 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30 | -173.3 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | R1605 S1676 E1700 D1713 | R1605-S1674 PolarHBondContact NH1-OG 3.48Å; S1674-S1676 PolarHBondContact O-N 3.38Å; S1674-E1700 WeakPolarHBondContact CB-OE2 3.39Å; S1674-E1700 PolarHBondContact OG-OE1 3.06Å; S1674-E1700 PolarHBondContact OG-OE2 3.21Å; S1674-D1713 WeakPolarHBondContact CA-OD1 3.39Å; S1674-D1713 WeakPolarHBondContact CB-OD1 3.07Å; S1674-D1713 VanDerWaalsContact CB-OD2 3.23Å; S1674-D1713 WeakPolarHBondContact CB-OD2 3.04Å |
| 1675 | S | 68.3 | Low | 86.4 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -1 | 177.7 | 40.1 | 0 | 0 | 0 | 0 | 114.8 | Q1561 Y1607 G1673 N1677 | Q1561-S1675 PolarHBondContact OE1-OG 3.39Å; Y1607-S1675 PolarHBondContact OH-OG 3.43Å; G1673-S1675 PolarHBondContact O-N 3.28Å; G1673-S1675 VanDerWaalsContact O-N 3.12Å; S1675-N1677 PolarHBondContact O-N 2.73Å; S1675-N1677 WeakPolarHBondContact OG-CB 3.42Å |
| 1676 | S | 69.4 | Low | 86.4 | Confident | 96 Ų | 96 | 35.2 Ų | 35.2 | 67% | 0.671 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 64 | 7.1 | -161.6 | -50.4 | 0 | 0 | 0 | 0 | 114.8 | I1672 G1673 S1674 | I1672-S1676 VanDerWaalsContact CG2-C 3.49Å; I1672-S1676 WeakPolarHBondContact CG2-O 3.1Å; G1673-S1676 PolarHBondContact O-N 3.29Å; S1674-S1676 PolarHBondContact O-N 3.38Å |
| 1677 | N | 71.5 | Confident | 86.4 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 21% | 0.214 | 21% | 0.207 | C | C | . | . | trans | -92.9 | 156.5 | 172.4 | -70.6 | 1.2 | 0 | 0 | 0 | 110.9 | D1564 G1673 S1675 | D1564-N1677 PolarHBondContact O-ND2 2.95Å; G1673-N1677 PolarHBondContact N-O 3.12Å; S1675-N1677 PolarHBondContact O-N 2.73Å; S1675-N1677 WeakPolarHBondContact OG-CB 3.42Å | ||
| 1678 | G | 77.2 | Confident | 86.4 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -139.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111 | T1568 A1671 | T1568-G1678 PolarHBondContact OG1-O 3.05Å; A1671-G1678 WeakPolarHBondContact O-CA 3.43Å |
| 1679 | G | 80.1 | Confident | 86.5 | Confident | 17 Ų | 17 | 34.4 Ų | 34.4 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -174.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1568 M1670 A1671 | T1568-G1679 WeakPolarHBondContact OG1-CA 3.37Å; T1568-G1679 PolarHBondContact OG1-N 3.36Å; M1670-G1679 WeakPolarHBondContact CA-O 3.24Å; M1670-G1679 WeakPolarHBondContact CG-O 3.42Å; A1671-G1679 PolarHBondContact N-O 3.26Å; A1671-G1679 PolarHBondContact O-N 2.63Å |
| 1680 | V | 89.8 | Confident | 86.6 | Confident | 91 Ų | 91 | 33.5 Ų | 33.5 | 55% | 0.552 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.4 | -166.6 | -158.1 | 0 | 0 | 0 | 0 | 109 | P1669 M1670 | P1669-V1680 CarbonylContact O-C 3.59Å; P1669-V1680 VanDerWaalsContact O-CA 3.26Å; P1669-V1680 WeakPolarHBondContact O-CA 3.19Å; P1669-V1680 WeakPolarHBondContact O-CG1 3.12Å; M1670-V1680 HydrophobicContact CE-CG2 4Å |
| 1681 | Q | 93.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | trans | -97.2 | 132.5 | 168.4 | -56.5 | -60.2 | -68.6 | 0 | 0 | 108.1 | M1569 L1571 F1668 P1669 L1683 | M1569-Q1681 PolarHBondContact O-NE2 3.01Å; L1571-Q1681 VanDerWaalsContact CB-OE1 3.25Å; L1571-Q1681 VanDerWaalsContact CG-OE1 3.27Å; F1668-Q1681 HydrophobicContact CD1-CG 4.06Å; F1668-Q1681 HydrophobicContact CE1-CG 4.05Å; P1669-Q1681 PolarHBondContact O-N 2.71Å; Q1681-L1683 PolarHBondContact O-N 2.93Å | ||
| 1682 | P | 95.2 | Very high | 87.3 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | trans | -58 | 133.4 | 169.2 | -18.6 | 31.5 | 0 | 0 | 0 | 108.8 | E1684 S1685 S1688 | P1682-E1684 VanDerWaalsContact C-N 3.28Å; P1682-E1684 HydrophobicContact CB-CG 4.27Å; P1682-E1684 WeakPolarHBondContact CB-OE2 3.21Å; P1682-E1684 PolarHBondContact O-N 2.67Å; P1682-S1685 WeakPolarHBondContact O-CB 3.48Å; P1682-S1685 PolarHBondContact O-N 3.28Å; P1682-S1685 VanDerWaalsContact O-N 3.09Å; P1682-S1688 WeakPolarHBondContact O-CB 3.23Å | ||
| 1683 | L | 95.4 | Very high | 87.8 | Confident | 72 Ų | 72 | 36.3 Ų | 36.3 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -35 | -173.7 | -71.3 | 178.4 | 0 | 0 | 0 | 111.5 | A1643 H1645 P1669 Q1681 S1685 S1688 M1719 | A1643-L1683 WeakPolarHBondContact CB-O 3.17Å; H1645-L1683 PolarHBondContact NE2-O 2.79Å; P1669-L1683 HydrophobicContact CB-CD2 3.99Å; Q1681-L1683 PolarHBondContact O-N 2.93Å; L1683-S1685 PolarHBondContact O-N 3.01Å; L1683-S1688 PolarHBondContact O-OG 3.46Å; L1683-M1719 HydrophobicContact CD1-CE 3.7Å; L1683-M1719 HydrophobicContact CD2-CE 3.43Å; L1683-M1719 VanDerWaalsContact CD2-CE 3.43Å; L1683-M1719 HydrophobicContact CG-CE 4.18Å |
| 1684 | E | 95.2 | Very high | 88.4 | Confident | 127 Ų | 127 | 37 Ų | 37 | 59% | 0.593 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.4 | 173.4 | 66.3 | -86.8 | -146.2 | 0 | 0 | 113.9 | V1642 A1643 P1682 | V1642-E1684 WeakPolarHBondContact CA-O 3.36Å; A1643-E1684 PolarHBondContact N-O 3.14Å; P1682-E1684 VanDerWaalsContact C-N 3.28Å; P1682-E1684 HydrophobicContact CB-CG 4.27Å; P1682-E1684 WeakPolarHBondContact CB-OE2 3.21Å; P1682-E1684 PolarHBondContact O-N 2.67Å |
| 1685 | S | 95.8 | Very high | 89.3 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -77.1 | 141.1 | -177.5 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | D1570 G1572 A1643 P1682 L1683 G1687 S1688 | D1570-S1685 WeakPolarHBondContact OD1-CB 3.17Å; D1570-S1685 PolarHBondContact OD1-OG 3.12Å; D1570-S1685 VanDerWaalsContact OD2-CB 3.29Å; D1570-S1685 WeakPolarHBondContact OD2-CB 3.1Å; D1570-S1685 PolarHBondContact OD2-OG 2.83Å; G1572-S1685 WeakPolarHBondContact CA-OG 3.11Å; A1643-S1685 WeakPolarHBondContact CB-O 3.26Å; P1682-S1685 WeakPolarHBondContact O-CB 3.48Å; P1682-S1685 PolarHBondContact O-N 3.28Å; P1682-S1685 VanDerWaalsContact O-N 3.09Å; L1683-S1685 PolarHBondContact O-N 3.01Å; S1685-G1687 PolarHBondContact O-N 3.08Å; S1685-G1687 PolarHBondContact OG-N 3.24Å; S1685-G1687 VanDerWaalsContact OG-N 3.1Å; S1685-S1688 WeakPolarHBondContact O-CB 3.43Å; S1685-S1688 PolarHBondContact O-N 2.79Å; S1685-S1688 PolarHBondContact O-OG 3.27Å |
| 1686 | P | 96.2 | Very high | 90.4 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -49 | -23.7 | 166.9 | -27.7 | 35.7 | 0 | 0 | 0 | 114.6 | L1641 W1663 S1688 C1689 V1751 | L1641-P1686 HydrophobicContact CB-CG 3.86Å; W1663-P1686 HydrophobicContact CH2-CB 3.76Å; W1663-P1686 HydrophobicContact CZ2-CB 3.8Å; P1686-S1688 VanDerWaalsContact C-N 3.3Å; P1686-S1688 PolarHBondContact O-N 3.3Å; P1686-C1689 PolarHBondContact O-N 3.13Å; P1686-C1689 VanDerWaalsContact O-N 3.16Å; P1686-V1751 HydrophobicContact CB-CG1 3.96Å; P1686-V1751 HydrophobicContact CB-CG2 4.17Å; P1686-V1751 HydrophobicContact CG-CG1 3.96Å |
| 1687 | G | 95.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -66.4 | -23.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1685 C1689 | S1685-G1687 PolarHBondContact O-N 3.08Å; S1685-G1687 PolarHBondContact OG-N 3.24Å; S1685-G1687 VanDerWaalsContact OG-N 3.1Å; G1687-C1689 PolarHBondContact O-N 2.77Å |
| 1688 | S | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -73.4 | -9.2 | 172.7 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | A1643 H1645 F1668 P1682 L1683 S1685 P1686 | A1643-S1688 WeakPolarHBondContact CB-OG 3.22Å; H1645-S1688 PolarHBondContact CE1-OG 3.08Å; H1645-S1688 PolarHBondContact NE2-OG 3.11Å; F1668-S1688 PolarHBondContact N-O 3.39Å; P1682-S1688 WeakPolarHBondContact O-CB 3.23Å; L1683-S1688 PolarHBondContact O-OG 3.46Å; S1685-S1688 WeakPolarHBondContact O-CB 3.43Å; S1685-S1688 PolarHBondContact O-N 2.79Å; S1685-S1688 PolarHBondContact O-OG 3.27Å; P1686-S1688 VanDerWaalsContact C-N 3.3Å; P1686-S1688 PolarHBondContact O-N 3.3Å |
| 1689 | C | 96.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 77.4 | -169.9 | -169.4 | 0 | 0 | 0 | 0 | 112.8 | A1643 W1663 P1686 G1687 C1749 V1751 | A1643-C1689 HydrophobicContact CB-CB 4.04Å; W1663-C1689 PolarHBondContact NE1-O 3.44Å; P1686-C1689 PolarHBondContact O-N 3.13Å; P1686-C1689 VanDerWaalsContact O-N 3.16Å; G1687-C1689 PolarHBondContact O-N 2.77Å; C1689-C1749 WeakPolarHBondContact CA-SG 2.93Å; C1689-C1749 HydrophobicContact CB-CB 3.76Å; C1689-C1749 WeakPolarHBondContact CB-SG 3.23Å; C1689-C1749 VanDerWaalsContact SG-C 3.52Å; C1689-C1749 WeakPolarHBondContact SG-CB 3.08Å; C1689-C1749 CovalentContact SG-SG 2.03Å; C1689-C1749 PolarHBondContact SG-SG 3.32Å; C1689-V1751 HydrophobicContact CB-CG2 3.51Å |
| 1690 | L | 96.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.4 | 176.2 | -69.9 | -178.2 | 0 | 0 | 0 | 111 | L1571 L1609 G1665 F1666 F1668 H1692 P1697 W1718 | L1571-L1690 HydrophobicContact CD1-CD2 4.27Å; L1609-L1690 HydrophobicContact CD1-CD1 4.24Å; L1609-L1690 HydrophobicContact CD1-CD2 4.42Å; L1609-L1690 HydrophobicContact CD2-CD2 3.91Å; G1665-L1690 CarbonylContact C-O 3.59Å; G1665-L1690 WeakPolarHBondContact CA-O 3.42Å; F1666-L1690 PolarHBondContact N-O 3.29Å; F1666-L1690 PolarHBondContact O-N 3.39Å; F1668-L1690 HydrophobicContact CB-CD1 3.97Å; F1668-L1690 HydrophobicContact CB-CG 4.08Å; F1668-L1690 HydrophobicContact CD1-CD1 3.52Å; F1668-L1690 HydrophobicContact CD1-CG 3.9Å; F1668-L1690 HydrophobicContact CD2-CD1 4.23Å; F1668-L1690 HydrophobicContact CE1-CD1 4.03Å; F1668-L1690 HydrophobicContact CG-CD1 3.63Å; F1668-L1690 HydrophobicContact CG-CG 4.15Å; L1690-H1692 PolarHBondContact O-N 2.88Å; L1690-P1697 HydrophobicContact CD1-CB 4.26Å; L1690-W1718 HydrophobicContact CB-CH2 4.27Å; L1690-W1718 HydrophobicContact CB-CZ3 4.39Å; L1690-W1718 HydrophobicContact CD1-CH2 3.88Å |
| 1691 | Q | 94.6 | Very high | 93.8 | Very high | 55 Ų | 55 | 26.5 Ų | 26.5 | 26% | 0.257 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -61.7 | -32.1 | -178.5 | -68.7 | 178.7 | 8.1 | 0 | 0 | 112.4 | W1663 | W1663-Q1691 HydrophobicContact CB-CG 4.33Å; W1663-Q1691 HydrophobicContact CG-CG 3.96Å |
| 1692 | H | 94.7 | Very high | 93.5 | Very high | 79 Ų | 79 | 27.9 Ų | 27.9 | 37% | 0.366 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -123 | 127.6 | -178.3 | -56.4 | -59.6 | 0 | 0 | 0 | 112.3 | Q1537 L1612 L1690 | Q1537-H1692 PolarHBondContact NE2-O 2.98Å; Q1537-H1692 PolarHBondContact OE1-O 3.08Å; L1612-H1692 HydrophobicContact CD1-CB 3.99Å; L1612-H1692 HydrophobicContact CD2-CB 3.92Å; L1612-H1692 HydrophobicContact CG-CB 4.44Å; L1690-H1692 PolarHBondContact O-N 2.88Å |
| 1693 | F | 93.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 26.6 Ų | 26.6 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | trans | -66.9 | 136.2 | 171.1 | 176.1 | -96.4 | 0 | 0 | 0 | 110.8 | F1666 A1695 W1718 I1742 L1743 V1746 | F1666-F1693 HydrophobicContact CB-CB 4.43Å; F1666-F1693 HydrophobicContact CD1-CB 4.06Å; F1666-F1693 HydrophobicContact CD2-CB 3.79Å; F1666-F1693 VanDerWaalsContact CD2-N 3.27Å; F1666-F1693 HydrophobicContact CE1-CB 4.21Å; F1666-F1693 HydrophobicContact CE2-CB 3.94Å; F1666-F1693 HydrophobicContact CG-CB 3.83Å; F1666-F1693 HydrophobicContact CZ-CB 4.13Å; F1693-A1695 HydrophobicContact CZ-CB 4.43Å; F1693-W1718 AromaticContact CD2-CD2 3.71Å; F1693-W1718 HydrophobicContact CD2-CD2 3.71Å; F1693-W1718 AromaticContact CD2-CE2 3.65Å; F1693-W1718 AromaticContact CD2-CE3 3.93Å; F1693-W1718 HydrophobicContact CD2-CE3 3.93Å; F1693-W1718 HydrophobicContact CD2-CG 4.3Å; F1693-W1718 HydrophobicContact CD2-CH2 4.06Å; F1693-W1718 AromaticContact CD2-CZ2 3.84Å; F1693-W1718 HydrophobicContact CD2-CZ2 3.84Å; F1693-W1718 HydrophobicContact CD2-CZ3 4.1Å; F1693-W1718 AromaticContact CE2-CD1 3.7Å; F1693-W1718 AromaticContact CE2-CD2 3.65Å; F1693-W1718 HydrophobicContact CE2-CD2 3.65Å; F1693-W1718 AromaticContact CE2-CE2 3.49Å; F1693-W1718 VanDerWaalsContact CE2-CE2 3.49Å; F1693-W1718 HydrophobicContact CE2-CE3 4.34Å; F1693-W1718 AromaticContact CE2-CG 3.81Å; F1693-W1718 HydrophobicContact CE2-CG 3.81Å; F1693-W1718 HydrophobicContact CE2-CZ2 4.06Å; F1693-W1718 AromaticContact CE2-NE1 3.51Å; F1693-I1742 HydrophobicContact CE1-CG2 3.7Å; F1693-I1742 HydrophobicContact CE2-CG2 4.07Å; F1693-I1742 HydrophobicContact CZ-CG2 3.38Å; F1693-L1743 HydrophobicContact CB-CD2 3.6Å; F1693-L1743 HydrophobicContact CD1-CD2 3.75Å; F1693-L1743 HydrophobicContact CD2-CD2 4.5Å; F1693-L1743 HydrophobicContact CG-CD2 3.68Å; F1693-V1746 HydrophobicContact CD2-CG1 4.4Å; F1693-V1746 HydrophobicContact CD2-CG2 4.16Å; F1693-V1746 HydrophobicContact CE2-CG2 3.88Å | ||
| 1694 | R | 91.4 | Very high | 91.2 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | trans | -151.5 | 124.5 | 170.4 | -176 | 174.7 | 174.3 | 109.2 | -10.2 | 109.8 | S1610 T1611 L1612 E1613 Y1615 L1696 P1697 W1718 | S1610-R1694 PolarHBondContact OG-NE 3.22Å; T1611-R1694 PolarHBondContact O-NE 3.42Å; T1611-R1694 PolarHBondContact O-NH1 3.03Å; T1611-R1694 VanDerWaalsContact O-NH1 3.12Å; L1612-R1694 PolarHBondContact O-NH1 3.49Å; L1612-R1694 VanDerWaalsContact O-NH1 3.09Å; E1613-R1694 VanDerWaalsContact O-CZ 3.29Å; E1613-R1694 PolarHBondContact O-NH1 3.23Å; E1613-R1694 PolarHBondContact O-NH2 3.32Å; Y1615-R1694 VanDerWaalsContact CE1-NH2 3.31Å; Y1615-R1694 VanDerWaalsContact OH-CG 3.28Å; Y1615-R1694 WeakPolarHBondContact OH-CG 3.5Å; R1694-L1696 PolarHBondContact NE-O 3.12Å; R1694-L1696 PolarHBondContact O-N 3.28Å; R1694-L1696 VanDerWaalsContact O-N 3.08Å; R1694-P1697 HydrophobicContact CB-CB 4.19Å; R1694-P1697 VanDerWaalsContact O-CD 3.29Å; R1694-P1697 WeakPolarHBondContact O-CD 3.16Å; R1694-W1718 WeakPolarHBondContact O-CZ2 3.17Å | ||
| 1695 | A | 89.2 | Confident | 89.9 | Confident | 58 Ų | 58 | 29.6 Ų | 29.6 | 48% | 0.479 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -57.7 | -27.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1693 S1716 | F1693-A1695 HydrophobicContact CZ-CB 4.43Å; A1695-S1716 PolarHBondContact O-OG 3.18Å |
| 1696 | L | 91.2 | Very high | 89.1 | Confident | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -132.8 | 92.5 | 165.1 | -175.5 | 66.6 | 0 | 0 | 0 | 108.1 | I227 Y1615 R1694 F1698 H1710 W1711 | I227-L1696 HydrophobicContact CD1-CD2 4.32Å; Y1615-L1696 HydrophobicContact CE1-CB 3.88Å; Y1615-L1696 PolarHBondContact OH-N 3.09Å; R1694-L1696 PolarHBondContact NE-O 3.12Å; R1694-L1696 PolarHBondContact O-N 3.28Å; R1694-L1696 VanDerWaalsContact O-N 3.08Å; L1696-F1698 HydrophobicContact CD1-CD1 4.18Å; L1696-F1698 HydrophobicContact CD1-CD2 4.33Å; L1696-F1698 HydrophobicContact CD1-CE1 3.6Å; L1696-F1698 HydrophobicContact CD1-CE2 3.79Å; L1696-F1698 HydrophobicContact CD1-CZ 3.38Å; L1696-F1698 PolarHBondContact O-N 3.39Å; L1696-H1710 HydrophobicContact CD2-CB 4Å; L1696-W1711 WeakPolarHBondContact CD2-O 3.47Å |
| 1697 | P | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -85 | 8.7 | -170.8 | 35.7 | -34.2 | 0 | 0 | 0 | 113 | L1609 S1610 F1668 L1690 R1694 S1716 W1718 | L1609-P1697 CarbonylContact C-O 3.59Å; L1609-P1697 WeakPolarHBondContact CA-O 3.49Å; L1609-P1697 HydrophobicContact CD1-CB 4.4Å; L1609-P1697 VanDerWaalsContact CD1-O 3.28Å; L1609-P1697 WeakPolarHBondContact CD1-O 3.23Å; L1609-P1697 WeakPolarHBondContact CG-O 3.49Å; S1610-P1697 PolarHBondContact N-O 3.01Å; F1668-P1697 HydrophobicContact CD2-CG 4.42Å; F1668-P1697 HydrophobicContact CE2-CG 3.8Å; F1668-P1697 HydrophobicContact CZ-CG 4.14Å; L1690-P1697 HydrophobicContact CD1-CB 4.26Å; R1694-P1697 HydrophobicContact CB-CB 4.19Å; R1694-P1697 VanDerWaalsContact O-CD 3.29Å; R1694-P1697 WeakPolarHBondContact O-CD 3.16Å; P1697-S1716 VanDerWaalsContact CD-CB 3.43Å; P1697-W1718 HydrophobicContact CB-CZ2 4.46Å; P1697-W1718 HydrophobicContact CG-CZ2 4.2Å | ||
| 1698 | F | 92.4 | Very high | 88.6 | Confident | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 161.5 | -178.8 | 62.7 | -93.4 | 0 | 0 | 0 | 111.5 | V1558 Y1607 W1608 A1671 I1672 L1696 H1710 R1715 | V1558-F1698 HydrophobicContact CG2-CB 4.36Å; Y1607-F1698 HydrophobicContact CD1-CD2 4.06Å; Y1607-F1698 HydrophobicContact CD1-CE2 4.2Å; W1608-F1698 CarbonylContact O-C 3.47Å; W1608-F1698 WeakPolarHBondContact O-CA 3.48Å; W1608-F1698 VanDerWaalsContact O-CB 3.29Å; W1608-F1698 WeakPolarHBondContact O-CB 3.39Å; A1671-F1698 HydrophobicContact CB-CD1 3.59Å; A1671-F1698 HydrophobicContact CB-CE1 3.4Å; A1671-F1698 HydrophobicContact CB-CZ 4.2Å; I1672-F1698 WeakPolarHBondContact O-CZ 3.27Å; L1696-F1698 HydrophobicContact CD1-CD1 4.18Å; L1696-F1698 HydrophobicContact CD1-CD2 4.33Å; L1696-F1698 HydrophobicContact CD1-CE1 3.6Å; L1696-F1698 HydrophobicContact CD1-CE2 3.79Å; L1696-F1698 HydrophobicContact CD1-CZ 3.38Å; L1696-F1698 PolarHBondContact O-N 3.39Å; F1698-H1710 PolarHBondContact O-CD2 3.26Å; F1698-H1710 PolarHBondContact O-NE2 2.96Å; F1698-R1715 WeakPolarHBondContact CE1-O 3.27Å |
| 1699 | I | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138 | 179.9 | -173.6 | 176.5 | 0 | 0 | 0 | 109.7 | Y1607 W1608 M1616 I1625 I1629 C1708 F1709 | Y1607-I1699 WeakPolarHBondContact CA-O 3.26Å; W1608-I1699 HydrophobicContact CB-CG2 4.11Å; W1608-I1699 PolarHBondContact N-O 3.01Å; W1608-I1699 PolarHBondContact O-N 2.76Å; M1616-I1699 HydrophobicContact CE-CD1 3.66Å; I1625-I1699 HydrophobicContact CD1-CD1 3.76Å; I1625-I1699 HydrophobicContact CG1-CD1 4.3Å; I1629-I1699 HydrophobicContact CD1-CG2 3.72Å; I1699-C1708 HydrophobicContact CD1-CB 3.88Å; I1699-C1708 HydrophobicContact CG1-CB 4.19Å; I1699-F1709 WeakPolarHBondContact CG1-O 3.49Å |
| 1700 | E | 91.3 | Very high | 88 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.7 | 178.5 | -175.6 | 179.5 | 125.7 | 0 | 0 | 109.9 | R1605 Y1607 S1674 N1702 C1708 F1709 W1711 | R1605-E1700 IonicContact CZ-OE1 3.48Å; R1605-E1700 IonicContact NE-OE1 3.74Å; R1605-E1700 IonicContact NH1-OE1 3.88Å; R1605-E1700 IonicContact NH1-OE2 3.4Å; Y1607-E1700 HydrophobicContact CD1-CB 3.85Å; Y1607-E1700 HydrophobicContact CD1-CG 4Å; Y1607-E1700 HydrophobicContact CE1-CB 3.67Å; Y1607-E1700 HydrophobicContact CE1-CG 3.46Å; Y1607-E1700 VanDerWaalsContact CE1-CG 3.46Å; Y1607-E1700 VanDerWaalsContact CE1-OE2 3.22Å; Y1607-E1700 WeakPolarHBondContact CE1-OE2 3.47Å; Y1607-E1700 PolarHBondContact OH-OE2 3.43Å; S1674-E1700 WeakPolarHBondContact CB-OE2 3.39Å; S1674-E1700 PolarHBondContact OG-OE1 3.06Å; S1674-E1700 PolarHBondContact OG-OE2 3.21Å; E1700-N1702 PolarHBondContact OE1-ND2 2.75Å; E1700-N1702 PolarHBondContact OE1-OD1 2.79Å; E1700-C1708 CarbonylContact O-C 3.54Å; E1700-C1708 WeakPolarHBondContact O-CA 3.44Å; E1700-C1708 WeakPolarHBondContact O-CB 3.11Å; E1700-F1709 PolarHBondContact N-O 3.31Å; E1700-F1709 PolarHBondContact O-N 3.27Å; E1700-W1711 PolarHBondContact OE1-NE1 2.82Å; E1700-W1711 VanDerWaalsContact OE1-NE1 3.12Å |
| 1701 | C | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.5 | 173.4 | -70.6 | 0 | 0 | 0 | 0 | 110 | I1583 R1605 S1606 C1708 | I1583-C1701 HydrophobicContact CB-CB 4.18Å; I1583-C1701 HydrophobicContact CG2-CB 4.25Å; R1605-C1701 WeakPolarHBondContact CA-O 3.48Å; S1606-C1701 PolarHBondContact N-O 3.18Å; S1606-C1701 WeakPolarHBondContact O-CB 3.41Å; S1606-C1701 PolarHBondContact O-N 2.82Å; C1701-C1708 VanDerWaalsContact CA-SG 3.57Å; C1701-C1708 HydrophobicContact CB-CB 4Å; C1701-C1708 WeakPolarHBondContact CB-SG 3.26Å; C1701-C1708 WeakPolarHBondContact SG-CB 3.26Å; C1701-C1708 CovalentContact SG-SG 2.04Å; C1701-C1708 PolarHBondContact SG-SG 3.4Å |
| 1702 | N | 86.1 | Confident | 87.1 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 18% | 0.176 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.2 | -176.8 | -78.9 | -27.9 | 0 | 0 | 0 | 111.5 | R1605 E1700 H1704 N1707 | R1605-N1702 WeakPolarHBondContact CB-OD1 3.19Å; R1605-N1702 WeakPolarHBondContact CD-OD1 3.14Å; R1605-N1702 WeakPolarHBondContact CG-OD1 3.27Å; R1605-N1702 PolarHBondContact NE-OD1 3.22Å; E1700-N1702 PolarHBondContact OE1-ND2 2.75Å; E1700-N1702 PolarHBondContact OE1-OD1 2.79Å; N1702-H1704 PolarHBondContact O-N 3.47Å; N1702-N1707 PolarHBondContact N-O 3.44Å; N1702-N1707 PolarHBondContact O-N 3.34Å |
| 1703 | N | 75.1 | Confident | 86.6 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -67.2 | -31.2 | -174.1 | 170.1 | 73.9 | 0 | 0 | 0 | 114.2 | M1584 N1600 D1705 G1706 | M1584-N1703 HydrophobicContact CE-CB 3.84Å; N1600-N1703 WeakPolarHBondContact CA-ND2 3.26Å; N1600-N1703 VanDerWaalsContact CA-OD1 3.24Å; N1600-N1703 WeakPolarHBondContact CA-OD1 3.35Å; N1600-N1703 WeakPolarHBondContact CB-OD1 2.94Å; N1600-N1703 PolarHBondContact ND2-OD1 2.89Å; N1600-N1703 PolarHBondContact O-ND2 3.14Å; N1600-N1703 PolarHBondContact OD1-OD1 3.07Å; N1703-D1705 VanDerWaalsContact C-N 3.29Å; N1703-D1705 PolarHBondContact O-N 2.69Å; N1703-G1706 PolarHBondContact O-N 2.69Å |
| 1704 | H | 67.2 | Low | 86.1 | Confident | 155 Ų | 155 | 38 Ų | 38 | 72% | 0.718 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -57.6 | -38.1 | -170.1 | -166.7 | -78.8 | 0 | 0 | 0 | 113.8 | N1702 | N1702-H1704 PolarHBondContact O-N 3.47Š|
| 1705 | D | 68.1 | Low | 85.9 | Confident | 107 Ų | 107 | 44.7 Ų | 44.7 | 57% | 0.572 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -117.3 | 3.8 | -175.1 | -52.4 | -26.9 | 0 | 0 | 0 | 113.5 | N1703 N1707 | N1703-D1705 VanDerWaalsContact C-N 3.29Å; N1703-D1705 PolarHBondContact O-N 2.69Å; D1705-N1707 HydrophobicContact CB-CB 4.31Å; D1705-N1707 VanDerWaalsContact CB-ND2 3.26Å; D1705-N1707 WeakPolarHBondContact CB-ND2 3.33Å; D1705-N1707 PolarHBondContact O-N 3.49Å |
| 1706 | G | 79.3 | Confident | 86 | Confident | 19 Ų | 19 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 18 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1621 V1622 N1703 | R1621-G1706 WeakPolarHBondContact CA-O 3.29Å; V1622-G1706 PolarHBondContact N-O 3.44Å; N1703-G1706 PolarHBondContact O-N 2.69Å |
| 1707 | N | 88 | Confident | 86 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 148.8 | -167.6 | -72.1 | -36 | 0 | 0 | 0 | 112.8 | P1619 A1620 R1621 N1702 D1705 | P1619-N1707 HydrophobicContact CB-CB 4.09Å; A1620-N1707 CarbonylContact O-C 3.33Å; A1620-N1707 WeakPolarHBondContact O-CA 3.4Å; R1621-N1707 WeakPolarHBondContact CA-OD1 3.37Å; R1621-N1707 VanDerWaalsContact CG-OD1 3.27Å; R1621-N1707 WeakPolarHBondContact CG-OD1 3.4Å; R1621-N1707 PolarHBondContact N-OD1 2.88Å; N1702-N1707 PolarHBondContact N-O 3.44Å; N1702-N1707 PolarHBondContact O-N 3.34Å; D1705-N1707 HydrophobicContact CB-CB 4.31Å; D1705-N1707 VanDerWaalsContact CB-ND2 3.26Å; D1705-N1707 WeakPolarHBondContact CB-ND2 3.33Å; D1705-N1707 PolarHBondContact O-N 3.49Å |
| 1708 | C | 92.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 152.6 | 163.2 | -48 | 0 | 0 | 0 | 0 | 111 | M1616 P1619 A1620 I1625 I1699 E1700 C1701 | M1616-C1708 WeakPolarHBondContact CE-O 3.33Å; P1619-C1708 WeakPolarHBondContact CA-O 3.49Å; A1620-C1708 PolarHBondContact N-O 2.89Å; A1620-C1708 PolarHBondContact O-N 3.42Å; I1625-C1708 HydrophobicContact CD1-CB 3.69Å; I1625-C1708 HydrophobicContact CG1-CB 3.84Å; I1699-C1708 HydrophobicContact CD1-CB 3.88Å; I1699-C1708 HydrophobicContact CG1-CB 4.19Å; E1700-C1708 CarbonylContact O-C 3.54Å; E1700-C1708 WeakPolarHBondContact O-CA 3.44Å; E1700-C1708 WeakPolarHBondContact O-CB 3.11Å; C1701-C1708 VanDerWaalsContact CA-SG 3.57Å; C1701-C1708 HydrophobicContact CB-CB 4Å; C1701-C1708 WeakPolarHBondContact CB-SG 3.26Å; C1701-C1708 WeakPolarHBondContact SG-CB 3.26Å; C1701-C1708 CovalentContact SG-SG 2.04Å; C1701-C1708 PolarHBondContact SG-SG 3.4Å |
| 1709 | F | 92 | Very high | 86.2 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 155 | 178.6 | -164.1 | -129.8 | 0 | 0 | 0 | 113.2 | M1616 S1618 P1619 I1699 E1700 W1711 | M1616-F1709 HydrophobicContact CB-CD2 4.05Å; M1616-F1709 HydrophobicContact CB-CE2 4.03Å; M1616-F1709 HydrophobicContact CE-CD2 4.13Å; M1616-F1709 WeakPolarHBondContact O-CE2 3.29Å; S1618-F1709 WeakPolarHBondContact O-CD2 3.11Å; P1619-F1709 HydrophobicContact CB-CB 4.1Å; P1619-F1709 HydrophobicContact CB-CD2 4.36Å; P1619-F1709 HydrophobicContact CB-CG 4.27Å; P1619-F1709 HydrophobicContact CG-CB 4.07Å; P1619-F1709 HydrophobicContact CG-CD1 4.14Å; P1619-F1709 HydrophobicContact CG-CD2 4.07Å; P1619-F1709 HydrophobicContact CG-CG 3.84Å; P1619-F1709 VanDerWaalsContact N-CD2 3.31Å; I1699-F1709 WeakPolarHBondContact CG1-O 3.49Å; E1700-F1709 PolarHBondContact N-O 3.31Å; E1700-F1709 PolarHBondContact O-N 3.27Å; F1709-W1711 HydrophobicContact CB-CD2 4.44Å; F1709-W1711 HydrophobicContact CB-CZ2 4.17Å; F1709-W1711 AromaticContact CD1-CD2 3.68Å; F1709-W1711 HydrophobicContact CD1-CD2 3.68Å; F1709-W1711 AromaticContact CD1-CE3 3.56Å; F1709-W1711 HydrophobicContact CD1-CE3 3.56Å; F1709-W1711 HydrophobicContact CD1-CG 4.27Å; F1709-W1711 HydrophobicContact CD1-CH2 4.12Å; F1709-W1711 HydrophobicContact CD1-CZ2 4.25Å; F1709-W1711 AromaticContact CD1-CZ3 3.79Å; F1709-W1711 HydrophobicContact CD1-CZ3 3.79Å; F1709-W1711 HydrophobicContact CE1-CE3 4.05Å; F1709-W1711 HydrophobicContact CE1-CZ3 4.25Å |
| 1710 | H | 90.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | trans | -87 | 105.2 | 164.8 | -69.5 | 102.7 | 0 | 0 | 0 | 107.7 | I227 S1610 Y1615 Y1628 L1696 F1698 | I227-H1710 HydrophobicContact CD1-CB 4.02Å; I227-H1710 WeakPolarHBondContact CD1-O 3.19Å; S1610-H1710 WeakPolarHBondContact CB-NE2 2.43Å; S1610-H1710 PolarHBondContact OG-NE2 3.02Å; Y1615-H1710 HydrophobicContact CD1-CB 4.26Å; Y1615-H1710 AromaticContact CD1-CD2 3.8Å; Y1615-H1710 AromaticContact CD1-CG 3.82Å; Y1628-H1710 AromaticContact CD1-CE1 3.74Å; L1696-H1710 HydrophobicContact CD2-CB 4Å; F1698-H1710 PolarHBondContact O-CD2 3.26Å; F1698-H1710 PolarHBondContact O-NE2 2.96Å | ||
| 1711 | W | 87.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 35% | 0.352 | 26% | 0.262 | S | S | . | . | trans | -86.3 | 151.7 | 177.8 | -58.2 | 107.1 | 0 | 0 | 0 | 112.3 | P1619 L1696 E1700 F1709 D1713 | P1619-W1711 HydrophobicContact CG-CH2 4.41Å; L1696-W1711 WeakPolarHBondContact CD2-O 3.47Å; E1700-W1711 PolarHBondContact OE1-NE1 2.82Å; E1700-W1711 VanDerWaalsContact OE1-NE1 3.12Å; F1709-W1711 HydrophobicContact CB-CD2 4.44Å; F1709-W1711 HydrophobicContact CB-CZ2 4.17Å; F1709-W1711 AromaticContact CD1-CD2 3.68Å; F1709-W1711 HydrophobicContact CD1-CD2 3.68Å; F1709-W1711 AromaticContact CD1-CE3 3.56Å; F1709-W1711 HydrophobicContact CD1-CE3 3.56Å; F1709-W1711 HydrophobicContact CD1-CG 4.27Å; F1709-W1711 HydrophobicContact CD1-CH2 4.12Å; F1709-W1711 HydrophobicContact CD1-CZ2 4.25Å; F1709-W1711 AromaticContact CD1-CZ3 3.79Å; F1709-W1711 HydrophobicContact CD1-CZ3 3.79Å; F1709-W1711 HydrophobicContact CE1-CE3 4.05Å; F1709-W1711 HydrophobicContact CE1-CZ3 4.25Å; W1711-D1713 VanDerWaalsContact C-N 3.33Å; W1711-D1713 WeakPolarHBondContact CB-OD1 3.2Å; W1711-D1713 PolarHBondContact O-N 3.48Å | ||
| 1712 | Q | 83.7 | Confident | 86.2 | Confident | 114 Ų | 114 | 55.9 Ų | 55.9 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -80.1 | -14.1 | -171.3 | -47.8 | -152.9 | -78.4 | 0 | 0 | 114.6 | I225 I227 | I225-Q1712 VanDerWaalsContact CG2-NE2 3.31Å; I227-Q1712 HydrophobicContact CD1-CB 4.48Å; I227-Q1712 HydrophobicContact CD1-CG 4.02Å; I227-Q1712 HydrophobicContact CG1-CG 3.91Å |
| 1713 | D | 84.2 | Confident | 86.3 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -89.4 | -21.7 | 178.2 | 45.5 | 15.5 | 0 | 0 | 0 | 112.5 | S1674 W1711 | S1674-D1713 WeakPolarHBondContact CA-OD1 3.39Å; S1674-D1713 WeakPolarHBondContact CB-OD1 3.07Å; S1674-D1713 VanDerWaalsContact CB-OD2 3.23Å; S1674-D1713 WeakPolarHBondContact CB-OD2 3.04Å; W1711-D1713 VanDerWaalsContact C-N 3.33Å; W1711-D1713 WeakPolarHBondContact CB-OD1 3.2Å; W1711-D1713 PolarHBondContact O-N 3.48Å |
| 1714 | G | 83.4 | Confident | 86.8 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | trans | -58.6 | 136.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1672 | I1672-G1714 CarbonylContact O-C 3.52Å; I1672-G1714 WeakPolarHBondContact O-CA 3.14Å | ||
| 1715 | R | 87.4 | Confident | 87.8 | Confident | 159 Ų | 159 | 65.7 Ų | 65.7 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.9 | -177.6 | -62.8 | -178.1 | -175 | -130.2 | -3.9 | 111.3 | I1672 F1698 Y1717 | I1672-R1715 PolarHBondContact N-O 2.58Å; I1672-R1715 PolarHBondContact O-N 2.73Å; F1698-R1715 WeakPolarHBondContact CE1-O 3.27Å; R1715-Y1717 HydrophobicContact CB-CE2 3.83Å |
| 1716 | S | 90 | Very high | 88.8 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 150 | 159.3 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | A1695 P1697 W1718 | A1695-S1716 PolarHBondContact O-OG 3.18Å; P1697-S1716 VanDerWaalsContact CD-CB 3.43Å; S1716-W1718 PolarHBondContact OG-NE1 2.87Å |
| 1717 | Y | 93 | Very high | 89.2 | Confident | 100 Ų | 100 | 67.7 Ų | 67.7 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135 | 173.5 | -65.4 | -101.8 | 0 | 0 | 0 | 107.8 | P1669 M1670 I1672 R1715 | P1669-Y1717 VanDerWaalsContact CD-O 3.29Å; P1669-Y1717 WeakPolarHBondContact CD-O 3.05Å; M1670-Y1717 HydrophobicContact CB-CD2 4.4Å; M1670-Y1717 HydrophobicContact CG-CD2 4.12Å; M1670-Y1717 PolarHBondContact O-N 2.69Å; M1670-Y1717 HydrophobicContact SD-CD2 3.87Å; M1670-Y1717 HydrophobicContact SD-CE2 4.21Å; M1670-Y1717 HydrophobicContact SD-CG 4.22Å; I1672-Y1717 HydrophobicContact CB-CE2 4.45Å; I1672-Y1717 HydrophobicContact CD1-CD2 4.46Å; I1672-Y1717 HydrophobicContact CD1-CE2 3.63Å; I1672-Y1717 HydrophobicContact CG1-CD2 4.43Å; I1672-Y1717 HydrophobicContact CG1-CE2 3.89Å; R1715-Y1717 HydrophobicContact CB-CE2 3.83Å |
| 1718 | W | 94.6 | Very high | 89.5 | Confident | 42 Ų | 42 | 75.4 Ų | 75.4 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | trans | -123.5 | 140.7 | -179.2 | -60.1 | 81.6 | 0 | 0 | 0 | 107.9 | F1666 S1667 F1668 L1690 F1693 R1694 P1697 S1716 V1746 | F1666-W1718 HydrophobicContact CB-CE3 3.85Å; F1666-W1718 HydrophobicContact CB-CZ3 3.51Å; S1667-W1718 CarbonylContact O-C 3.55Å; S1667-W1718 VanDerWaalsContact O-CA 3.24Å; S1667-W1718 WeakPolarHBondContact O-CA 3.31Å; F1668-W1718 HydrophobicContact CB-CE3 3.94Å; F1668-W1718 HydrophobicContact CB-CH2 4.1Å; F1668-W1718 HydrophobicContact CB-CZ3 3.67Å; F1668-W1718 HydrophobicContact CD2-CD2 4.45Å; F1668-W1718 HydrophobicContact CD2-CH2 4.24Å; F1668-W1718 HydrophobicContact CD2-CZ2 4.07Å; F1668-W1718 HydrophobicContact CD2-CZ3 4.47Å; F1668-W1718 HydrophobicContact CG-CH2 4.39Å; F1668-W1718 HydrophobicContact CG-CZ3 4.41Å; L1690-W1718 HydrophobicContact CB-CH2 4.27Å; L1690-W1718 HydrophobicContact CB-CZ3 4.39Å; L1690-W1718 HydrophobicContact CD1-CH2 3.88Å; F1693-W1718 AromaticContact CD2-CD2 3.71Å; F1693-W1718 HydrophobicContact CD2-CD2 3.71Å; F1693-W1718 AromaticContact CD2-CE2 3.65Å; F1693-W1718 AromaticContact CD2-CE3 3.93Å; F1693-W1718 HydrophobicContact CD2-CE3 3.93Å; F1693-W1718 HydrophobicContact CD2-CG 4.3Å; F1693-W1718 HydrophobicContact CD2-CH2 4.06Å; F1693-W1718 AromaticContact CD2-CZ2 3.84Å; F1693-W1718 HydrophobicContact CD2-CZ2 3.84Å; F1693-W1718 HydrophobicContact CD2-CZ3 4.1Å; F1693-W1718 AromaticContact CE2-CD1 3.7Å; F1693-W1718 AromaticContact CE2-CD2 3.65Å; F1693-W1718 HydrophobicContact CE2-CD2 3.65Å; F1693-W1718 AromaticContact CE2-CE2 3.49Å; F1693-W1718 VanDerWaalsContact CE2-CE2 3.49Å; F1693-W1718 HydrophobicContact CE2-CE3 4.34Å; F1693-W1718 AromaticContact CE2-CG 3.81Å; F1693-W1718 HydrophobicContact CE2-CG 3.81Å; F1693-W1718 HydrophobicContact CE2-CZ2 4.06Å; F1693-W1718 AromaticContact CE2-NE1 3.51Å; R1694-W1718 WeakPolarHBondContact O-CZ2 3.17Å; P1697-W1718 HydrophobicContact CB-CZ2 4.46Å; P1697-W1718 HydrophobicContact CG-CZ2 4.2Å; S1716-W1718 PolarHBondContact OG-NE1 2.87Å; W1718-V1746 HydrophobicContact CB-CG1 4Å; W1718-V1746 HydrophobicContact CB-CG2 3.97Å; W1718-V1746 HydrophobicContact CD2-CG1 4.44Å; W1718-V1746 HydrophobicContact CE3-CG1 4.05Å; W1718-V1746 HydrophobicContact CG-CG1 4.46Å; W1718-V1746 HydrophobicContact CG-CG2 4.39Å | ||
| 1719 | M | 94.5 | Very high | 89.3 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 16% | 0.158 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 134.5 | 174.8 | -170.4 | -170.6 | -61.9 | 0 | 0 | 108.5 | H1645 Q1647 S1667 L1683 S1747 | H1645-M1719 HydrophobicContact CB-CE 4Å; H1645-M1719 HydrophobicContact CB-SD 3.87Å; Q1647-M1719 HydrophobicContact CG-CG 4.44Å; Q1647-M1719 HydrophobicContact CG-SD 3.61Å; S1667-M1719 PolarHBondContact O-N 2.78Å; L1683-M1719 HydrophobicContact CD1-CE 3.7Å; L1683-M1719 HydrophobicContact CD2-CE 3.43Å; L1683-M1719 VanDerWaalsContact CD2-CE 3.43Å; L1683-M1719 HydrophobicContact CG-CE 4.18Å; M1719-S1747 VanDerWaalsContact O-CB 3.23Å; M1719-S1747 WeakPolarHBondContact O-CB 3.47Å; M1719-S1747 PolarHBondContact O-N 3.17Å |
| 1720 | S | 92.5 | Very high | 89.2 | Confident | 56 Ų | 56 | 85.4 Ų | 85.4 | 39% | 0.392 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -79.5 | 151.2 | -175.8 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | H1745 | S1720-H1745 VanDerWaalsContact CA-O 3.29Å; S1720-H1745 WeakPolarHBondContact CA-O 2.98Å |
| 1721 | S | 91.9 | Very high | 88.9 | Confident | 19 Ų | 19 | 90.9 Ų | 90.9 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 137.5 | 158 | 69.3 | 0 | 0 | 0 | 0 | 109.6 | Q1647 Q1744 H1745 | Q1647-S1721 CarbonylContact O-C 3.23Å; Q1647-S1721 WeakPolarHBondContact O-CA 3.36Å; S1721-Q1744 PolarHBondContact OG-O 3.14Å; S1721-H1745 PolarHBondContact N-O 2.95Å; S1721-H1745 VanDerWaalsContact N-O 3.08Å; S1721-H1745 WeakPolarHBondContact OG-CA 3.2Å |
| 1722 | I | 90.2 | Very high | 88.7 | Confident | 51 Ų | 51 | 93.3 Ų | 93.3 | 26% | 0.262 | 45% | 0.45 | S | S | . | . | trans | -141 | 119.6 | -178.2 | -54.6 | -179.7 | 0 | 0 | 0 | 107.5 | Q1647 E1726 Q1727 | Q1647-I1722 PolarHBondContact O-N 3.45Å; I1722-E1726 HydrophobicContact CG2-CB 4.31Å; I1722-Q1727 HydrophobicContact CG2-CB 4.42Å; I1722-Q1727 HydrophobicContact CG2-CG 3.9Å | ||
| 1723 | R | 87.7 | Confident | 88.8 | Confident | 168 Ų | 168 | 91.6 Ų | 91.6 | 63% | 0.634 | 46% | 0.463 | S | S | * | . | trans | -72.7 | 151.8 | 178.5 | -60.2 | 174.9 | 168.7 | -178.9 | -5.8 | 110.4 | N1725 E1726 Q1727 | R1723-N1725 VanDerWaalsContact CB-OD1 3.22Å; R1723-N1725 WeakPolarHBondContact CB-OD1 3.07Å; R1723-N1725 PolarHBondContact O-N 3.26Å; R1723-N1725 VanDerWaalsContact O-N 3.1Å; R1723-E1726 HydrophobicContact CB-CB 4.32Å; R1723-E1726 HydrophobicContact CB-CG 4.08Å; R1723-E1726 WeakPolarHBondContact CB-OE2 3.24Å; R1723-E1726 WeakPolarHBondContact CG-OE2 3.28Å; R1723-E1726 PolarHBondContact N-OE2 2.96Å; R1723-E1726 WeakPolarHBondContact O-CA 3Å; R1723-E1726 PolarHBondContact O-N 3.48Å; R1723-Q1727 PolarHBondContact O-N 2.82Å | ||
| 1724 | Q | 85.3 | Confident | 88.8 | Confident | 129 Ų | 129 | 91.3 Ų | 91.3 | 60% | 0.603 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -36.9 | -175.1 | -154.3 | 84.5 | 17.2 | 0 | 0 | 112.6 | ||
| 1725 | N | 88.6 | Confident | 89.1 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10.2 | 177.7 | 63.7 | -40.4 | 0 | 0 | 0 | 114.6 | R1723 I1729 | R1723-N1725 VanDerWaalsContact CB-OD1 3.22Å; R1723-N1725 WeakPolarHBondContact CB-OD1 3.07Å; R1723-N1725 PolarHBondContact O-N 3.26Å; R1723-N1725 VanDerWaalsContact O-N 3.1Å; N1725-I1729 WeakPolarHBondContact O-CD1 3.31Å; N1725-I1729 WeakPolarHBondContact O-CG1 3.43Å |
| 1726 | E | 88.7 | Confident | 89.1 | Confident | 80 Ų | 80 | 92.5 Ų | 92.5 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -14.5 | -176.8 | -68.8 | 169.6 | 172.9 | 0 | 0 | 113 | I1722 R1723 F1728 I1729 | I1722-E1726 HydrophobicContact CG2-CB 4.31Å; R1723-E1726 HydrophobicContact CB-CB 4.32Å; R1723-E1726 HydrophobicContact CB-CG 4.08Å; R1723-E1726 WeakPolarHBondContact CB-OE2 3.24Å; R1723-E1726 WeakPolarHBondContact CG-OE2 3.28Å; R1723-E1726 PolarHBondContact N-OE2 2.96Å; R1723-E1726 WeakPolarHBondContact O-CA 3Å; R1723-E1726 PolarHBondContact O-N 3.48Å; E1726-F1728 VanDerWaalsContact C-N 3.28Å; E1726-F1728 PolarHBondContact O-N 3.41Å; E1726-F1728 VanDerWaalsContact O-N 3.12Å; E1726-I1729 PolarHBondContact O-N 2.74Å |
| 1727 | Q | 88.6 | Confident | 88.8 | Confident | 89 Ų | 89 | 96 Ų | 96 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -39.5 | -173.6 | -66.5 | 179.2 | -5.4 | 0 | 0 | 115 | I1722 R1723 | I1722-Q1727 HydrophobicContact CG2-CB 4.42Å; I1722-Q1727 HydrophobicContact CG2-CG 3.9Å; R1723-Q1727 PolarHBondContact O-N 2.82Å |
| 1728 | F | 92.8 | Very high | 88.5 | Confident | 197 Ų | 197 | 94.3 Ų | 94.3 | 86% | 0.864 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 6.7 | -179.8 | -55.8 | -77 | 0 | 0 | 0 | 112.9 | E1726 | E1726-F1728 VanDerWaalsContact C-N 3.28Å; E1726-F1728 PolarHBondContact O-N 3.41Å; E1726-F1728 VanDerWaalsContact O-N 3.12Å |
| 1729 | I | 89.1 | Confident | 88 | Confident | 107 Ų | 107 | 99 Ų | 99 | 55% | 0.549 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -86 | 147 | 170.9 | -59.3 | -175.2 | 0 | 0 | 0 | 108.1 | N1725 E1726 P1731 | N1725-I1729 WeakPolarHBondContact O-CD1 3.31Å; N1725-I1729 WeakPolarHBondContact O-CG1 3.43Å; E1726-I1729 PolarHBondContact O-N 2.74Å; I1729-P1731 WeakPolarHBondContact O-CD 3.12Å |
| 1730 | K | 88.4 | Confident | 87.5 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 53% | 0.53 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -60 | 120.5 | 173.6 | 177.5 | 172.4 | -178.2 | 165.3 | 0 | 110.1 | P1409 I1732 | P1409-K1730 VanDerWaalsContact CD-NZ 3.33Å; K1730-I1732 PolarHBondContact O-N 2.79Å |
| 1731 | P | 83.8 | Confident | 87.1 | Confident | 115 Ų | 115 | 100 Ų | 100 | 75% | 0.747 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 138.3 | 179.6 | 24.7 | -33.8 | 0 | 0 | 0 | 111.2 | I1729 | I1729-P1731 WeakPolarHBondContact O-CD 3.12Š|
| 1732 | I | 83.7 | Confident | 87 | Confident | 144 Ų | 144 | 101.3 Ų | 101.3 | 74% | 0.738 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -81 | 122.9 | 179.1 | -55.7 | 178.3 | 0 | 0 | 0 | 108.6 | K1730 T1734 | K1730-I1732 PolarHBondContact O-N 2.79Å; I1732-T1734 HydrophobicContact CB-CG2 4.41Å; I1732-T1734 HydrophobicContact CG2-CG2 4.02Å; I1732-T1734 PolarHBondContact O-N 2.88Å; I1732-T1734 PolarHBondContact O-OG1 3.31Å |
| 1733 | G | 85.8 | Confident | 87 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 81% | 0.814 | 53% | 0.531 | S | S | * | . | trans | -66.3 | 93.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1734 | T | 85.1 | Confident | 87.1 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | trans | -108.3 | 157.8 | -176.1 | 40.2 | 0 | 0 | 0 | 0 | 111 | I1732 Y1736 | I1732-T1734 HydrophobicContact CB-CG2 4.41Å; I1732-T1734 HydrophobicContact CG2-CG2 4.02Å; I1732-T1734 PolarHBondContact O-N 2.88Å; I1732-T1734 PolarHBondContact O-OG1 3.31Å; T1734-Y1736 WeakPolarHBondContact CB-OH 3.43Å; T1734-Y1736 WeakPolarHBondContact CG2-OH 3.44Å; T1734-Y1736 VanDerWaalsContact OG1-CE2 3.29Å; T1734-Y1736 WeakPolarHBondContact OG1-CE2 3.27Å; T1734-Y1736 PolarHBondContact OG1-OH 2.92Å | ||
| 1735 | T | 89 | Confident | 87.4 | Confident | 122 Ų | 122 | 96 Ų | 96 | 75% | 0.748 | 51% | 0.514 | S | S | * | . | trans | -137.2 | 122.9 | 177.5 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1736 | Y | 87.2 | Confident | 87.7 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 30% | 0.302 | 49% | 0.487 | S | S | . | . | trans | -110.1 | 117 | -174.7 | -55.1 | -81 | 0 | 0 | 0 | 110 | T1734 G1741 I1742 H1745 | T1734-Y1736 WeakPolarHBondContact CB-OH 3.43Å; T1734-Y1736 WeakPolarHBondContact CG2-OH 3.44Å; T1734-Y1736 VanDerWaalsContact OG1-CE2 3.29Å; T1734-Y1736 WeakPolarHBondContact OG1-CE2 3.27Å; T1734-Y1736 PolarHBondContact OG1-OH 2.92Å; Y1736-G1741 WeakPolarHBondContact CD1-O 3.48Å; Y1736-I1742 WeakPolarHBondContact O-CG1 3.2Å; Y1736-H1745 HydrophobicContact CD2-CB 4.43Å; Y1736-H1745 AromaticContact CE1-CD2 3.31Å; Y1736-H1745 WeakPolarHBondContact CE1-CD2 3.25Å; Y1736-H1745 AromaticContact CE1-NE2 3.7Å; Y1736-H1745 HydrophobicContact CE2-CB 4.02Å; Y1736-H1745 AromaticContact CE2-CD2 3.73Å; Y1736-H1745 AromaticContact CE2-CG 3.84Å; Y1736-H1745 AromaticContact CZ-CD2 3.13Å; Y1736-H1745 AromaticContact CZ-CG 3.65Å; Y1736-H1745 AromaticContact CZ-NE2 3.54Å; Y1736-H1745 PolarHBondContact OH-CD2 2.98Å; Y1736-H1745 VanDerWaalsContact OH-CD2 3.26Å; Y1736-H1745 PolarHBondContact OH-NE2 3Å; Y1736-H1745 VanDerWaalsContact OH-NE2 3.17Å | ||
| 1737 | N | 85.1 | Confident | 88 | Confident | 94 Ų | 94 | 87 Ų | 87 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | trans | -100 | -4.5 | -179.9 | -62.3 | -6.4 | 0 | 0 | 0 | 112.6 | ||||
| 1738 | T | 86.5 | Confident | 88.4 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -108.7 | 138 | 177 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | T1740 G1741 I1742 | T1738-T1740 VanDerWaalsContact C-N 3.32Å; T1738-T1740 PolarHBondContact O-N 3.14Å; T1738-G1741 PolarHBondContact O-N 3.49Å; T1738-G1741 PolarHBondContact OG1-N 3.01Å; T1738-I1742 WeakPolarHBondContact O-CG1 3.33Å; T1738-I1742 PolarHBondContact O-N 3.48Å |
| 1739 | E | 82.8 | Confident | 88.5 | Confident | 141 Ų | 141 | 75.8 Ų | 75.8 | 66% | 0.659 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -54.6 | -46.5 | 178.3 | -176.7 | 168.5 | -153.3 | 0 | 0 | 111.9 | G1741 I1742 L1743 | E1739-G1741 VanDerWaalsContact C-N 3.32Å; E1739-G1741 PolarHBondContact O-N 2.96Å; E1739-I1742 PolarHBondContact O-N 3.22Å; E1739-I1742 VanDerWaalsContact O-N 3.13Å; E1739-L1743 HydrophobicContact CG-CD1 3.9Å; E1739-L1743 HydrophobicContact CG-CG 4.37Å; E1739-L1743 VanDerWaalsContact O-CG 3.24Å; E1739-L1743 WeakPolarHBondContact O-CG 3.24Å; E1739-L1743 PolarHBondContact O-N 3.39Å |
| 1740 | T | 83.9 | Confident | 88.9 | Confident | 100 Ų | 100 | 70.7 Ų | 70.7 | 61% | 0.613 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58 | -40.2 | 175 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | T1738 L1743 Q1744 | T1738-T1740 VanDerWaalsContact C-N 3.32Å; T1738-T1740 PolarHBondContact O-N 3.14Å; T1740-L1743 PolarHBondContact O-N 3.08Å; T1740-Q1744 WeakPolarHBondContact O-CB 3.27Å; T1740-Q1744 WeakPolarHBondContact O-CG 2.94Å; T1740-Q1744 PolarHBondContact O-N 3.32Å |
| 1741 | G | 85.4 | Confident | 89.3 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.8 | -29.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1736 T1738 E1739 H1745 | Y1736-G1741 WeakPolarHBondContact CD1-O 3.48Å; T1738-G1741 PolarHBondContact O-N 3.49Å; T1738-G1741 PolarHBondContact OG1-N 3.01Å; E1739-G1741 VanDerWaalsContact C-N 3.32Å; E1739-G1741 PolarHBondContact O-N 2.96Å; G1741-H1745 PolarHBondContact O-CD2 3.43Å |
| 1742 | I | 89.6 | Confident | 89.8 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.1 | -48.8 | 171.5 | -63.5 | 162.4 | 0 | 0 | 0 | 109.7 | F1693 Y1736 T1738 E1739 Q1744 H1745 V1746 | F1693-I1742 HydrophobicContact CE1-CG2 3.7Å; F1693-I1742 HydrophobicContact CE2-CG2 4.07Å; F1693-I1742 HydrophobicContact CZ-CG2 3.38Å; Y1736-I1742 WeakPolarHBondContact O-CG1 3.2Å; T1738-I1742 WeakPolarHBondContact O-CG1 3.33Å; T1738-I1742 PolarHBondContact O-N 3.48Å; E1739-I1742 PolarHBondContact O-N 3.22Å; E1739-I1742 VanDerWaalsContact O-N 3.13Å; I1742-Q1744 VanDerWaalsContact C-N 3.35Å; I1742-Q1744 PolarHBondContact O-N 2.99Å; I1742-H1745 CarbonylContact O-C 3.16Å; I1742-H1745 WeakPolarHBondContact O-CA 3.14Å; I1742-H1745 PolarHBondContact O-N 3.12Å; I1742-V1746 HydrophobicContact CG2-CG2 4.23Å; I1742-V1746 WeakPolarHBondContact O-CG2 3.23Å; I1742-V1746 PolarHBondContact O-N 2.73Å |
| 1743 | L | 90.5 | Very high | 90.2 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | -176.9 | -64.7 | 172.3 | 0 | 0 | 0 | 112.6 | F1666 F1693 E1739 T1740 H1745 V1746 | F1666-L1743 HydrophobicContact CD1-CD2 4.26Å; F1666-L1743 HydrophobicContact CE1-CD2 3.53Å; F1666-L1743 HydrophobicContact CZ-CD2 3.82Å; F1693-L1743 HydrophobicContact CB-CD2 3.6Å; F1693-L1743 HydrophobicContact CD1-CD2 3.75Å; F1693-L1743 HydrophobicContact CD2-CD2 4.5Å; F1693-L1743 HydrophobicContact CG-CD2 3.68Å; E1739-L1743 HydrophobicContact CG-CD1 3.9Å; E1739-L1743 HydrophobicContact CG-CG 4.37Å; E1739-L1743 VanDerWaalsContact O-CG 3.24Å; E1739-L1743 WeakPolarHBondContact O-CG 3.24Å; E1739-L1743 PolarHBondContact O-N 3.39Å; T1740-L1743 PolarHBondContact O-N 3.08Å; L1743-H1745 PolarHBondContact O-N 2.9Å; L1743-V1746 PolarHBondContact O-N 3.08Å |
| 1744 | Q | 90.1 | Very high | 90.2 | Very high | 113 Ų | 113 | 54 Ų | 54 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.4 | 171.4 | -76.8 | 178.7 | -35.5 | 0 | 0 | 114.1 | D1649 S1721 T1740 I1742 | D1649-Q1744 WeakPolarHBondContact CB-O 3.36Å; S1721-Q1744 PolarHBondContact OG-O 3.14Å; T1740-Q1744 WeakPolarHBondContact O-CB 3.27Å; T1740-Q1744 WeakPolarHBondContact O-CG 2.94Å; T1740-Q1744 PolarHBondContact O-N 3.32Å; I1742-Q1744 VanDerWaalsContact C-N 3.35Å; I1742-Q1744 PolarHBondContact O-N 2.99Å |
| 1745 | H | 91.3 | Very high | 90 | Very high | 75 Ų | 75 | 51.3 Ų | 51.3 | 35% | 0.347 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 7.2 | 177.5 | -75.7 | -67.3 | 0 | 0 | 0 | 114.6 | S1720 S1721 Y1736 G1741 I1742 L1743 | S1720-H1745 VanDerWaalsContact CA-O 3.29Å; S1720-H1745 WeakPolarHBondContact CA-O 2.98Å; S1721-H1745 PolarHBondContact N-O 2.95Å; S1721-H1745 VanDerWaalsContact N-O 3.08Å; S1721-H1745 WeakPolarHBondContact OG-CA 3.2Å; Y1736-H1745 HydrophobicContact CD2-CB 4.43Å; Y1736-H1745 AromaticContact CE1-CD2 3.31Å; Y1736-H1745 WeakPolarHBondContact CE1-CD2 3.25Å; Y1736-H1745 AromaticContact CE1-NE2 3.7Å; Y1736-H1745 HydrophobicContact CE2-CB 4.02Å; Y1736-H1745 AromaticContact CE2-CD2 3.73Å; Y1736-H1745 AromaticContact CE2-CG 3.84Å; Y1736-H1745 AromaticContact CZ-CD2 3.13Å; Y1736-H1745 AromaticContact CZ-CG 3.65Å; Y1736-H1745 AromaticContact CZ-NE2 3.54Å; Y1736-H1745 PolarHBondContact OH-CD2 2.98Å; Y1736-H1745 VanDerWaalsContact OH-CD2 3.26Å; Y1736-H1745 PolarHBondContact OH-NE2 3Å; Y1736-H1745 VanDerWaalsContact OH-NE2 3.17Å; G1741-H1745 PolarHBondContact O-CD2 3.43Å; I1742-H1745 CarbonylContact O-C 3.16Å; I1742-H1745 WeakPolarHBondContact O-CA 3.14Å; I1742-H1745 PolarHBondContact O-N 3.12Å; L1743-H1745 PolarHBondContact O-N 2.9Å |
| 1746 | V | 93.7 | Very high | 89 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -106 | 123.8 | 172.9 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | F1666 F1693 W1718 I1742 L1743 R1748 | F1666-V1746 HydrophobicContact CB-CG1 4.01Å; F1666-V1746 HydrophobicContact CD1-CB 4.48Å; F1666-V1746 HydrophobicContact CD1-CG1 3.89Å; F1666-V1746 HydrophobicContact CG-CG1 4.43Å; F1693-V1746 HydrophobicContact CD2-CG1 4.4Å; F1693-V1746 HydrophobicContact CD2-CG2 4.16Å; F1693-V1746 HydrophobicContact CE2-CG2 3.88Å; W1718-V1746 HydrophobicContact CB-CG1 4Å; W1718-V1746 HydrophobicContact CB-CG2 3.97Å; W1718-V1746 HydrophobicContact CD2-CG1 4.44Å; W1718-V1746 HydrophobicContact CE3-CG1 4.05Å; W1718-V1746 HydrophobicContact CG-CG1 4.46Å; W1718-V1746 HydrophobicContact CG-CG2 4.39Å; I1742-V1746 HydrophobicContact CG2-CG2 4.23Å; I1742-V1746 WeakPolarHBondContact O-CG2 3.23Å; I1742-V1746 PolarHBondContact O-N 2.73Å; L1743-V1746 PolarHBondContact O-N 3.08Å; V1746-R1748 PolarHBondContact O-N 3.18Å |
| 1747 | S | 95.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -56.5 | 132.5 | 175.5 | 176 | 0 | 0 | 0 | 0 | 111.3 | Q1647 R1648 S1667 M1719 | Q1647-S1747 VanDerWaalsContact CA-OG 3.27Å; Q1647-S1747 WeakPolarHBondContact CA-OG 3.37Å; Q1647-S1747 PolarHBondContact N-OG 3.25Å; R1648-S1747 CarbonylContact O-C 3.42Å; R1648-S1747 VanDerWaalsContact O-CA 3.31Å; R1648-S1747 WeakPolarHBondContact O-CA 3.45Å; S1667-S1747 VanDerWaalsContact CB-O 3.27Å; S1667-S1747 WeakPolarHBondContact CB-O 3.34Å; S1667-S1747 PolarHBondContact N-O 2.81Å; S1667-S1747 VanDerWaalsContact OG-C 3.31Å; S1667-S1747 WeakPolarHBondContact OG-CB 3.5Å; S1667-S1747 PolarHBondContact OG-O 2.99Å; S1667-S1747 PolarHBondContact OG-OG 3.31Å; S1667-S1747 VanDerWaalsContact OG-OG 3.12Å; M1719-S1747 VanDerWaalsContact O-CB 3.23Å; M1719-S1747 WeakPolarHBondContact O-CB 3.47Å; M1719-S1747 PolarHBondContact O-N 3.17Å | ||
| 1748 | R | 96.3 | Very high | 85.7 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 159.4 | 169.8 | -50.1 | -45.9 | -53.7 | -105.9 | -2.3 | 111.3 | S1646 R1648 D1649 D1650 I1651 G1665 F1666 S1667 V1746 | S1646-R1748 PolarHBondContact N-O 2.79Å; S1646-R1748 PolarHBondContact OG-N 2.64Å; S1646-R1748 PolarHBondContact OG-O 2.99Å; R1648-R1748 PolarHBondContact O-N 2.95Å; D1649-R1748 WeakPolarHBondContact O-CD 3.33Å; D1649-R1748 WeakPolarHBondContact O-CG 3.21Å; D1650-R1748 WeakPolarHBondContact O-CB 3.33Å; D1650-R1748 VanDerWaalsContact O-CG 3.26Å; D1650-R1748 WeakPolarHBondContact O-CG 3.36Å; I1651-R1748 HydrophobicContact CG1-CB 3.79Å; I1651-R1748 HydrophobicContact CG1-CG 4.03Å; G1665-R1748 PolarHBondContact O-NE 3.38Å; G1665-R1748 PolarHBondContact O-NH2 3.41Å; F1666-R1748 VanDerWaalsContact CZ-CZ 3.46Å; F1666-R1748 VanDerWaalsContact CZ-NH2 3.33Å; S1667-R1748 PolarHBondContact OG-O 3.13Å; S1667-R1748 VanDerWaalsContact OG-O 3.04Å; V1746-R1748 PolarHBondContact O-N 3.18Å |
| 1749 | C | 96.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.7 | 174.8 | 64.8 | 0 | 0 | 0 | 0 | 110.2 | F1644 N1664 G1665 F1666 C1689 | F1644-C1749 CarbonylContact O-C 3.51Å; F1644-C1749 WeakPolarHBondContact O-CA 3.12Å; F1644-C1749 VanDerWaalsContact O-CB 3.3Å; F1644-C1749 WeakPolarHBondContact O-CB 3.38Å; N1664-C1749 WeakPolarHBondContact CA-O 3.45Å; G1665-C1749 VanDerWaalsContact CA-SG 3.57Å; G1665-C1749 PolarHBondContact N-O 3.04Å; G1665-C1749 PolarHBondContact O-N 3.21Å; F1666-C1749 PolarHBondContact N-SG 2.82Å; F1666-C1749 PolarHBondContact O-SG 3.11Å; C1689-C1749 WeakPolarHBondContact CA-SG 2.93Å; C1689-C1749 HydrophobicContact CB-CB 3.76Å; C1689-C1749 WeakPolarHBondContact CB-SG 3.23Å; C1689-C1749 VanDerWaalsContact SG-C 3.52Å; C1689-C1749 WeakPolarHBondContact SG-CB 3.08Å; C1689-C1749 CovalentContact SG-SG 2.03Å; C1689-C1749 PolarHBondContact SG-SG 3.32Å |
| 1750 | S | 96.7 | Very high | 81.9 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.2 | 172.3 | -60.9 | 0 | 0 | 0 | 0 | 107.7 | F1644 M1654 N1664 | F1644-S1750 PolarHBondContact N-O 3.09Å; F1644-S1750 PolarHBondContact O-N 3.23Å; M1654-S1750 VanDerWaalsContact CB-OG 3.31Å; M1654-S1750 WeakPolarHBondContact CB-OG 3.27Å; M1654-S1750 PolarHBondContact SD-OG 3.01Å; N1664-S1750 PolarHBondContact OD1-OG 3.15Å |
| 1751 | V | 96.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.5 | 166.4 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | L1641 V1642 A1643 A1662 W1663 P1686 C1689 | L1641-V1751 HydrophobicContact CB-CG1 3.95Å; L1641-V1751 HydrophobicContact CD2-CG1 3.95Å; L1641-V1751 HydrophobicContact CG-CG1 4.4Å; V1642-V1751 WeakPolarHBondContact O-CA 3.49Å; A1643-V1751 HydrophobicContact CB-CG2 4.17Å; A1662-V1751 HydrophobicContact CB-CG1 4.41Å; A1662-V1751 WeakPolarHBondContact CB-O 2.94Å; A1662-V1751 PolarHBondContact N-O 2.76Å; W1663-V1751 HydrophobicContact CD2-CB 3.84Å; W1663-V1751 HydrophobicContact CD2-CG1 4.47Å; W1663-V1751 HydrophobicContact CD2-CG2 4.01Å; W1663-V1751 HydrophobicContact CE3-CB 4.09Å; W1663-V1751 HydrophobicContact CE3-CG1 4.27Å; W1663-V1751 HydrophobicContact CG-CB 4.39Å; W1663-V1751 HydrophobicContact CG-CG2 4.49Å; W1663-V1751 HydrophobicContact CH2-CB 4.22Å; W1663-V1751 HydrophobicContact CH2-CG1 3.9Å; W1663-V1751 HydrophobicContact CH2-CG2 4.22Å; W1663-V1751 HydrophobicContact CZ2-CB 3.99Å; W1663-V1751 HydrophobicContact CZ2-CG1 4.1Å; W1663-V1751 HydrophobicContact CZ2-CG2 3.56Å; W1663-V1751 HydrophobicContact CZ3-CB 4.24Å; W1663-V1751 HydrophobicContact CZ3-CG1 3.96Å; W1663-V1751 PolarHBondContact N-O 2.82Å; W1663-V1751 PolarHBondContact O-N 3.18Å; P1686-V1751 HydrophobicContact CB-CG1 3.96Å; P1686-V1751 HydrophobicContact CB-CG2 4.17Å; P1686-V1751 HydrophobicContact CG-CG1 3.96Å; C1689-V1751 HydrophobicContact CB-CG2 3.51Å |
| 1752 | C | 94.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 148.1 | -175.4 | -52.4 | 0 | 0 | 0 | 0 | 109.8 | L1641 V1642 F1644 C1655 W1659 E1660 | L1641-C1752 WeakPolarHBondContact CA-O 3.38Å; V1642-C1752 PolarHBondContact N-O 2.93Å; V1642-C1752 PolarHBondContact O-N 3.48Å; F1644-C1752 HydrophobicContact CD2-CB 4Å; F1644-C1752 HydrophobicContact CE2-CB 3.96Å; C1655-C1752 WeakPolarHBondContact CA-SG 3.07Å; C1655-C1752 HydrophobicContact CB-CB 3.77Å; C1655-C1752 WeakPolarHBondContact CB-SG 3.07Å; C1655-C1752 WeakPolarHBondContact SG-CB 3.45Å; C1655-C1752 CovalentContact SG-SG 2.04Å; C1655-C1752 PolarHBondContact SG-SG 3.06Å; W1659-C1752 HydrophobicContact CB-CB 4.25Å; W1659-C1752 HydrophobicContact CE3-CB 3.88Å; E1660-C1752 CarbonylContact O-C 3.58Å; E1660-C1752 VanDerWaalsContact O-CA 3.23Å; E1660-C1752 WeakPolarHBondContact O-CA 3.07Å |
| 1753 | R | 91.9 | Very high | 78.5 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 2% | 0.023 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 144.9 | 171.9 | 179.1 | 176 | 63.1 | -165.2 | -13.4 | 109.4 | I1546 Y1547 S1637 T1639 L1641 W1659 E1660 A1755 | I1546-R1753 PolarHBondContact O-NH2 3.24Å; Y1547-R1753 PolarHBondContact O-NH1 3.27Å; S1637-R1753 WeakPolarHBondContact OG-CD 3.48Å; T1639-R1753 VanDerWaalsContact OG1-CD 3.26Å; T1639-R1753 WeakPolarHBondContact OG1-CD 3.46Å; T1639-R1753 WeakPolarHBondContact OG1-CG 3.44Å; L1641-R1753 HydrophobicContact CD1-CB 4.4Å; L1641-R1753 HydrophobicContact CD1-CG 4.32Å; L1641-R1753 HydrophobicContact CG-CB 4.14Å; W1659-R1753 CarbonylContact C-O 3.6Å; W1659-R1753 WeakPolarHBondContact CA-O 2.97Å; W1659-R1753 WeakPolarHBondContact CB-O 3.28Å; E1660-R1753 VanDerWaalsContact CD-NE 3.31Å; E1660-R1753 HydrophobicContact CG-CB 3.93Å; E1660-R1753 PolarHBondContact N-O 2.87Å; E1660-R1753 PolarHBondContact O-N 2.98Å; E1660-R1753 IonicContact OE1-CZ 3.79Å; E1660-R1753 VanDerWaalsContact OE1-CZ 3.29Å; E1660-R1753 IonicContact OE1-NE 3.12Å; E1660-R1753 PolarHBondContact OE1-NE 3.01Å; E1660-R1753 IonicContact OE1-NH2 3.29Å; E1660-R1753 PolarHBondContact OE1-NH2 2.8Å; E1660-R1753 VanDerWaalsContact OE1-NH2 3.12Å; E1660-R1753 IonicContact OE2-CZ 2.82Å; E1660-R1753 IonicContact OE2-NE 2.73Å; E1660-R1753 IonicContact OE2-NH2 3.64Å; E1660-R1753 PolarHBondContact OE2-NH2 3.48Å; R1753-A1755 PolarHBondContact O-N 3.5Å |
| 1754 | R | 86.6 | Confident | 77.9 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 118.2 | 169.9 | -177.3 | 169.4 | 176.6 | 169.3 | -3.4 | 109.6 | T1639 W1659 S1758 | T1639-R1754 HydrophobicContact CG2-CB 4.46Å; T1639-R1754 PolarHBondContact OG1-O 3.09Å; W1659-R1754 HydrophobicContact CD2-CB 4.09Å; W1659-R1754 HydrophobicContact CE3-CB 4.26Å; W1659-R1754 VanDerWaalsContact CE3-N 3.25Å; W1659-R1754 HydrophobicContact CH2-CB 4.31Å; W1659-R1754 HydrophobicContact CZ2-CB 4.15Å; W1659-R1754 HydrophobicContact CZ3-CB 4.36Å; R1754-S1758 WeakPolarHBondContact CG-OG 3.14Å; R1754-S1758 PolarHBondContact NE-O 2.91Å; R1754-S1758 PolarHBondContact NE-OG 2.81Å; R1754-S1758 VanDerWaalsContact NE-OG 3.12Å; R1754-S1758 PolarHBondContact NH2-O 3.31Å |
| 1755 | A | 81 | Confident | 77.2 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | trans | -69.4 | 144.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1658 E1660 R1753 E1757 S1758 | G1658-A1755 WeakPolarHBondContact O-CB 3.29Å; G1658-A1755 PolarHBondContact O-N 2.74Å; E1660-A1755 HydrophobicContact CB-CB 4.41Å; E1660-A1755 WeakPolarHBondContact OE1-CA 3.46Å; R1753-A1755 PolarHBondContact O-N 3.5Å; A1755-E1757 VanDerWaalsContact C-N 3.27Å; A1755-E1757 PolarHBondContact O-N 2.94Å; A1755-S1758 WeakPolarHBondContact O-CB 3.41Å; A1755-S1758 PolarHBondContact O-N 2.86Å; A1755-S1758 PolarHBondContact O-OG 2.8Å | ||
| 1756 | M | 66.6 | Low | 76.3 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -64.4 | -27.8 | -171.7 | -59.9 | -162.7 | -162.5 | 0 | 0 | 113.8 | R1638 S1758 L1759 | R1638-M1756 HydrophobicContact CB-CE 4.17Å; R1638-M1756 HydrophobicContact CG-CE 4.11Å; M1756-S1758 PolarHBondContact O-N 3.34Å; M1756-L1759 WeakPolarHBondContact O-CB 3.2Å; M1756-L1759 PolarHBondContact O-N 2.85Å; M1756-L1759 VanDerWaalsContact O-N 3.08Å |
| 1757 | E | 54.2 | Low | 75.1 | Confident | 166 Ų | 166 | 65.4 Ų | 65.4 | 78% | 0.776 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -62.3 | -30.7 | 173.7 | -62.7 | 179.3 | 157.8 | 0 | 0 | 112.2 | A1755 L1759 L1760 | A1755-E1757 VanDerWaalsContact C-N 3.27Å; A1755-E1757 PolarHBondContact O-N 2.94Å; E1757-L1759 PolarHBondContact O-N 3.4Å; E1757-L1760 PolarHBondContact O-N 2.62Å |
| 1758 | S | 50.1 | Low | 73.7 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -78.3 | 10.2 | 175.2 | 78.2 | 0 | 0 | 0 | 0 | 114.2 | G1658 R1754 A1755 M1756 | G1658-S1758 PolarHBondContact O-OG 2.99Å; R1754-S1758 WeakPolarHBondContact CG-OG 3.14Å; R1754-S1758 PolarHBondContact NE-O 2.91Å; R1754-S1758 PolarHBondContact NE-OG 2.81Å; R1754-S1758 VanDerWaalsContact NE-OG 3.12Å; R1754-S1758 PolarHBondContact NH2-O 3.31Å; A1755-S1758 WeakPolarHBondContact O-CB 3.41Å; A1755-S1758 PolarHBondContact O-N 2.86Å; A1755-S1758 PolarHBondContact O-OG 2.8Å; M1756-S1758 PolarHBondContact O-N 3.34Å |
| 1759 | L | 48.1 | Very low | 71.9 | Confident | 102 Ų | 102 | 71.6 Ų | 71.6 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -120.7 | 0.7 | 171.5 | -89.8 | 159.5 | 0 | 0 | 0 | 112.2 | T1639 M1756 E1757 | T1639-L1759 HydrophobicContact CG2-CD1 3.31Å; M1756-L1759 WeakPolarHBondContact O-CB 3.2Å; M1756-L1759 PolarHBondContact O-N 2.85Å; M1756-L1759 VanDerWaalsContact O-N 3.08Å; E1757-L1759 PolarHBondContact O-N 3.4Å |
| 1760 | L | 40.3 | Very low | 69.8 | Low | 157 Ų | 157 | 77.6 Ų | 77.6 | 82% | 0.822 | 36% | 0.357 | S | S | * | . | trans | -119.5 | 18 | 179.7 | -81.8 | 162.9 | 0 | 0 | 0 | 111.6 | E1757 | E1757-L1760 PolarHBondContact O-N 2.62Š| ||
| 1761 | R | 31.6 | Very low | 67.4 | Low | 291 Ų | 291 | 84.5 Ų | 84.5 | 100% | 1.098 | 39% | 0.388 | S | S | * | . | trans | -151.5 | 0 | -174.9 | -159.9 | -176.8 | -162.4 | -158.8 | 5.2 | 110.5 |
Retrieved 1,761 of 1,761 residues in 1858.8 ms
(Link to these results)