| 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 | 55.9 | Low | 68.9 | Low | 218 Ų | 218 | 129.3 Ų | 129.3 | 100% | 1.074 | 63% | 0.626 | S | S | * | * | 0 | -2.2 | 0 | -72 | -179.2 | 179.5 | 0 | 0 | 114.8 | S4 | M1-S4 PolarHBondContact O-OG 3.49Š| |||
| 2 | Q | 56.3 | Low | 70.5 | Confident | 168 Ų | 168 | 128.2 Ų | 128.2 | 79% | 0.785 | 62% | 0.617 | S | S | * | * | trans | -79.3 | -31.8 | -177.5 | -75.8 | 173.4 | -35.7 | 0 | 0 | 115 | S4 F5 | Q2-S4 PolarHBondContact O-N 3.04Å; Q2-F5 PolarHBondContact O-N 3.38Å | ||
| 3 | I | 58.6 | Low | 71.9 | Confident | 136 Ų | 136 | 128 Ų | 128 | 70% | 0.697 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.8 | -30.6 | -176 | -60.4 | 170 | 0 | 0 | 0 | 112.4 | N7 | I3-N7 PolarHBondContact O-ND2 3.14Å |
| 4 | S | 61.5 | Low | 73.1 | Confident | 79 Ų | 79 | 124.7 Ų | 124.7 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.9 | -23.5 | 176.7 | 42.1 | 0 | 0 | 0 | 0 | 114.1 | M1 Q2 F8 | M1-S4 PolarHBondContact O-OG 3.49Å; Q2-S4 PolarHBondContact O-N 3.04Å; S4-F8 PolarHBondContact O-N 3.42Å |
| 5 | F | 61 | Low | 74.3 | Confident | 148 Ų | 148 | 123.4 Ų | 123.4 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.5 | -41.6 | -179.4 | -112.4 | -87 | 0 | 0 | 0 | 112.2 | Q2 N7 F8 E9 | Q2-F5 PolarHBondContact O-N 3.38Å; F5-N7 PolarHBondContact O-N 3.07Å; F5-F8 WeakPolarHBondContact O-CA 3.19Å; F5-F8 VanDerWaalsContact O-CB 3.29Å; F5-F8 WeakPolarHBondContact O-CB 3.48Å; F5-F8 PolarHBondContact O-N 3.38Å; F5-E9 PolarHBondContact O-N 3.29Å |
| 6 | I | 64.2 | Low | 75.4 | Confident | 107 Ų | 107 | 117.4 Ų | 117.4 | 55% | 0.549 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.7 | -47.6 | 176.5 | -57.6 | 171.5 | 0 | 0 | 0 | 110 | F8 E9 D10 | I6-F8 PolarHBondContact O-N 3.23Å; I6-F8 VanDerWaalsContact O-N 3.11Å; I6-E9 PolarHBondContact O-N 3.08Å; I6-D10 PolarHBondContact O-N 3.39Å; I6-D10 VanDerWaalsContact O-N 3.15Å |
| 7 | N | 73.9 | Confident | 76.5 | Confident | 79 Ų | 79 | 119.2 Ų | 119.2 | 42% | 0.422 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.1 | -18.5 | 174 | -81.1 | -79.3 | 0 | 0 | 0 | 114.4 | I3 F5 R11 | I3-N7 PolarHBondContact O-ND2 3.14Å; F5-N7 PolarHBondContact O-N 3.07Å; N7-R11 WeakPolarHBondContact O-CD 3.2Å; N7-R11 WeakPolarHBondContact O-CG 3.46Å; N7-R11 PolarHBondContact O-NE 3.31Å; N7-R11 VanDerWaalsContact O-NE 3.17Å |
| 8 | F | 76.9 | Confident | 77.5 | Confident | 118 Ų | 118 | 117.4 Ų | 117.4 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -84.1 | -47.8 | 176.4 | -171.5 | -112.4 | 0 | 0 | 0 | 109.6 | S4 F5 I6 D10 R11 F12 | S4-F8 PolarHBondContact O-N 3.42Å; F5-F8 WeakPolarHBondContact O-CA 3.19Å; F5-F8 VanDerWaalsContact O-CB 3.29Å; F5-F8 WeakPolarHBondContact O-CB 3.48Å; F5-F8 PolarHBondContact O-N 3.38Å; I6-F8 PolarHBondContact O-N 3.23Å; I6-F8 VanDerWaalsContact O-N 3.11Å; F8-D10 PolarHBondContact O-N 3.21Å; F8-R11 WeakPolarHBondContact O-CB 3.31Å; F8-R11 PolarHBondContact O-N 3.39Å; F8-F12 HydrophobicContact CD1-CD2 4.16Å; F8-F12 AromaticContact CD1-CE2 3.52Å; F8-F12 HydrophobicContact CD1-CE2 3.52Å; F8-F12 HydrophobicContact CD1-CZ 4.48Å; F8-F12 AromaticContact CD2-CE2 3.76Å; F8-F12 HydrophobicContact CD2-CE2 3.76Å; F8-F12 HydrophobicContact CD2-CZ 4.45Å; F8-F12 HydrophobicContact CE1-CD2 4.22Å; F8-F12 AromaticContact CE1-CE2 3.3Å; F8-F12 HydrophobicContact CE1-CE2 3.3Å; F8-F12 AromaticContact CE1-CZ 3.85Å; F8-F12 HydrophobicContact CE1-CZ 3.85Å; F8-F12 AromaticContact CE2-CE2 3.54Å; F8-F12 HydrophobicContact CE2-CE2 3.54Å; F8-F12 AromaticContact CE2-CZ 3.81Å; F8-F12 HydrophobicContact CE2-CZ 3.81Å; F8-F12 HydrophobicContact CG-CD2 4.44Å; F8-F12 AromaticContact CG-CE2 3.75Å; F8-F12 HydrophobicContact CG-CE2 3.75Å; F8-F12 AromaticContact CZ-CE2 3.31Å; F8-F12 HydrophobicContact CZ-CE2 3.31Å; F8-F12 AromaticContact CZ-CZ 3.48Å; F8-F12 HydrophobicContact CZ-CZ 3.48Å; F8-F12 VanDerWaalsContact CZ-CZ 3.48Å; F8-F12 WeakPolarHBondContact O-CD2 3.44Å; F8-F12 PolarHBondContact O-N 3.31Å |
| 9 | E | 79.3 | Confident | 78.5 | Confident | 117 Ų | 117 | 115.5 Ų | 115.5 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60 | -46.6 | -179.6 | -144.4 | 173.9 | 154.3 | 0 | 0 | 112.5 | F5 I6 R11 F12 F13 | F5-E9 PolarHBondContact O-N 3.29Å; I6-E9 PolarHBondContact O-N 3.08Å; E9-R11 PolarHBondContact O-N 3.43Å; E9-F12 PolarHBondContact O-N 3.35Å; E9-F13 HydrophobicContact CG-CD2 4.49Å; E9-F13 HydrophobicContact CG-CE2 4.04Å; E9-F13 WeakPolarHBondContact O-CD2 3.39Å; E9-F13 PolarHBondContact O-N 3.31Å; E9-F13 VanDerWaalsContact O-N 3.13Å |
| 10 | D | 84.5 | Confident | 79.3 | Confident | 93 Ų | 93 | 115 Ų | 115 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.5 | -31 | 174.8 | -71 | -32 | 0 | 0 | 0 | 112.8 | I6 F8 T14 | I6-D10 PolarHBondContact O-N 3.39Å; I6-D10 VanDerWaalsContact O-N 3.15Å; F8-D10 PolarHBondContact O-N 3.21Å; D10-T14 WeakPolarHBondContact O-CB 3.05Å; D10-T14 WeakPolarHBondContact O-CG2 3.32Å; D10-T14 PolarHBondContact O-N 3.09Å; D10-T14 PolarHBondContact O-OG1 3.16Å |
| 11 | R | 85.7 | Confident | 80.1 | Confident | 159 Ų | 159 | 112.2 Ų | 112.2 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.6 | -34.1 | 176.1 | -71 | 171.7 | -168.6 | -163.6 | 1.6 | 112.2 | N7 F8 E9 T14 L15 | N7-R11 WeakPolarHBondContact O-CD 3.2Å; N7-R11 WeakPolarHBondContact O-CG 3.46Å; N7-R11 PolarHBondContact O-NE 3.31Å; N7-R11 VanDerWaalsContact O-NE 3.17Å; F8-R11 WeakPolarHBondContact O-CB 3.31Å; F8-R11 PolarHBondContact O-N 3.39Å; E9-R11 PolarHBondContact O-N 3.43Å; R11-T14 WeakPolarHBondContact CA-OG1 3.36Å; R11-T14 PolarHBondContact O-OG1 3.42Å; R11-L15 VanDerWaalsContact O-CB 3.28Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 WeakPolarHBondContact O-CD1 3.38Å; R11-L15 WeakPolarHBondContact O-CG 3.31Å; R11-L15 PolarHBondContact O-N 3.42Å |
| 12 | F | 88.5 | Confident | 82 | Confident | 116 Ų | 116 | 105.2 Ų | 105.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 173.4 | -70.9 | -80.6 | 0 | 0 | 0 | 111.8 | F8 E9 L15 G16 | F8-F12 HydrophobicContact CD1-CD2 4.16Å; F8-F12 AromaticContact CD1-CE2 3.52Å; F8-F12 HydrophobicContact CD1-CE2 3.52Å; F8-F12 HydrophobicContact CD1-CZ 4.48Å; F8-F12 AromaticContact CD2-CE2 3.76Å; F8-F12 HydrophobicContact CD2-CE2 3.76Å; F8-F12 HydrophobicContact CD2-CZ 4.45Å; F8-F12 HydrophobicContact CE1-CD2 4.22Å; F8-F12 AromaticContact CE1-CE2 3.3Å; F8-F12 HydrophobicContact CE1-CE2 3.3Å; F8-F12 AromaticContact CE1-CZ 3.85Å; F8-F12 HydrophobicContact CE1-CZ 3.85Å; F8-F12 AromaticContact CE2-CE2 3.54Å; F8-F12 HydrophobicContact CE2-CE2 3.54Å; F8-F12 AromaticContact CE2-CZ 3.81Å; F8-F12 HydrophobicContact CE2-CZ 3.81Å; F8-F12 HydrophobicContact CG-CD2 4.44Å; F8-F12 AromaticContact CG-CE2 3.75Å; F8-F12 HydrophobicContact CG-CE2 3.75Å; F8-F12 AromaticContact CZ-CE2 3.31Å; F8-F12 HydrophobicContact CZ-CE2 3.31Å; F8-F12 AromaticContact CZ-CZ 3.48Å; F8-F12 HydrophobicContact CZ-CZ 3.48Å; F8-F12 VanDerWaalsContact CZ-CZ 3.48Å; F8-F12 WeakPolarHBondContact O-CD2 3.44Å; F8-F12 PolarHBondContact O-N 3.31Å; E9-F12 PolarHBondContact O-N 3.35Å; F12-L15 PolarHBondContact O-N 3.5Å; F12-G16 PolarHBondContact O-N 3.49Å |
| 13 | F | 89.2 | Confident | 84 | Confident | 126 Ų | 126 | 100.2 Ų | 100.2 | 55% | 0.553 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.9 | -47.4 | 175.5 | -75.3 | -65.2 | 0 | 0 | 0 | 111.7 | E9 G16 F17 | E9-F13 HydrophobicContact CG-CD2 4.49Å; E9-F13 HydrophobicContact CG-CE2 4.04Å; E9-F13 WeakPolarHBondContact O-CD2 3.39Å; E9-F13 PolarHBondContact O-N 3.31Å; E9-F13 VanDerWaalsContact O-N 3.13Å; F13-G16 PolarHBondContact O-N 3.2Å; F13-F17 WeakPolarHBondContact O-CD2 3.19Å; F13-F17 PolarHBondContact O-N 3.46Å |
| 14 | T | 88.4 | Confident | 85.8 | Confident | 82 Ų | 82 | 98.1 Ų | 98.1 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 177.4 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | D10 R11 G16 F17 V18 | D10-T14 WeakPolarHBondContact O-CB 3.05Å; D10-T14 WeakPolarHBondContact O-CG2 3.32Å; D10-T14 PolarHBondContact O-N 3.09Å; D10-T14 PolarHBondContact O-OG1 3.16Å; R11-T14 WeakPolarHBondContact CA-OG1 3.36Å; R11-T14 PolarHBondContact O-OG1 3.42Å; T14-G16 VanDerWaalsContact C-N 3.34Å; T14-G16 PolarHBondContact O-N 3.33Å; T14-F17 PolarHBondContact O-N 3.45Å; T14-V18 VanDerWaalsContact O-CG2 3.29Å; T14-V18 WeakPolarHBondContact O-CG2 3.12Å; T14-V18 PolarHBondContact O-N 3.43Å |
| 15 | L | 90.4 | Very high | 87.5 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 171.9 | -74.1 | 170 | 0 | 0 | 0 | 112.4 | R11 F12 V18 T19 | R11-L15 VanDerWaalsContact O-CB 3.28Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 WeakPolarHBondContact O-CD1 3.38Å; R11-L15 WeakPolarHBondContact O-CG 3.31Å; R11-L15 PolarHBondContact O-N 3.42Å; F12-L15 PolarHBondContact O-N 3.5Å; L15-V18 PolarHBondContact O-N 3.38Å; L15-T19 WeakPolarHBondContact O-CG2 3.46Å; L15-T19 PolarHBondContact O-N 3.45Å; L15-T19 PolarHBondContact O-OG1 3.44Å |
| 16 | G | 93 | Very high | 89.2 | Confident | 27 Ų | 27 | 96.7 Ų | 96.7 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | F12 F13 T14 V18 T19 I20 | F12-G16 PolarHBondContact O-N 3.49Å; F13-G16 PolarHBondContact O-N 3.2Å; T14-G16 VanDerWaalsContact C-N 3.34Å; T14-G16 PolarHBondContact O-N 3.33Å; G16-V18 VanDerWaalsContact C-N 3.34Å; G16-V18 PolarHBondContact O-N 3.4Å; G16-T19 PolarHBondContact O-N 3.39Å; G16-T19 PolarHBondContact O-OG1 3.42Å; G16-I20 VanDerWaalsContact O-CG1 3.3Å; G16-I20 WeakPolarHBondContact O-CG1 3.39Å; G16-I20 PolarHBondContact O-N 3.49Å |
| 17 | F | 94.1 | Very high | 90.8 | Very high | 148 Ų | 148 | 96.7 Ų | 96.7 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -38.8 | 175.6 | -78.9 | -66.3 | 0 | 0 | 0 | 112.6 | F13 T14 A21 | F13-F17 WeakPolarHBondContact O-CD2 3.19Å; F13-F17 PolarHBondContact O-N 3.46Å; T14-F17 PolarHBondContact O-N 3.45Å; F17-A21 WeakPolarHBondContact O-CB 3.44Å; F17-A21 PolarHBondContact O-N 3.4Å |
| 18 | V | 94.2 | Very high | 91.9 | Very high | 87 Ų | 87 | 98.6 Ų | 98.6 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | T14 L15 G16 A21 T22 | T14-V18 VanDerWaalsContact O-CG2 3.29Å; T14-V18 WeakPolarHBondContact O-CG2 3.12Å; T14-V18 PolarHBondContact O-N 3.43Å; L15-V18 PolarHBondContact O-N 3.38Å; G16-V18 VanDerWaalsContact C-N 3.34Å; G16-V18 PolarHBondContact O-N 3.4Å; V18-A21 PolarHBondContact O-N 3.28Å; V18-T22 HydrophobicContact CG1-CG2 4.43Å; V18-T22 WeakPolarHBondContact O-CB 3.43Å; V18-T22 WeakPolarHBondContact O-CG2 3.35Å; V18-T22 PolarHBondContact O-N 3.07Å; V18-T22 PolarHBondContact O-OG1 3.48Å |
| 19 | T | 95.3 | Very high | 92.9 | Very high | 82 Ų | 82 | 95.3 Ų | 95.3 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 177.3 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | L15 G16 T22 S23 | L15-T19 WeakPolarHBondContact O-CG2 3.46Å; L15-T19 PolarHBondContact O-N 3.45Å; L15-T19 PolarHBondContact O-OG1 3.44Å; G16-T19 PolarHBondContact O-N 3.39Å; G16-T19 PolarHBondContact O-OG1 3.42Å; T19-T22 WeakPolarHBondContact CA-OG1 3.42Å; T19-T22 PolarHBondContact O-OG1 3.32Å; T19-T22 VanDerWaalsContact O-OG1 3.06Å; T19-S23 VanDerWaalsContact O-CB 3.3Å; T19-S23 WeakPolarHBondContact O-CB 3.17Å; T19-S23 PolarHBondContact O-N 2.81Å; T19-S23 PolarHBondContact O-OG 3.43Å |
| 20 | I | 96.2 | Very high | 93.7 | Very high | 105 Ų | 105 | 95 Ų | 95 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -48.3 | 172.3 | -66.4 | 166.2 | 0 | 0 | 0 | 110.6 | G16 T22 S23 V24 | G16-I20 VanDerWaalsContact O-CG1 3.3Å; G16-I20 WeakPolarHBondContact O-CG1 3.39Å; G16-I20 PolarHBondContact O-N 3.49Å; I20-T22 PolarHBondContact O-N 3.47Å; I20-S23 PolarHBondContact O-N 3.39Å; I20-V24 HydrophobicContact CG2-CG2 4.35Å; I20-V24 WeakPolarHBondContact O-CG2 3.37Å; I20-V24 PolarHBondContact O-N 3.44Å |
| 21 | A | 95.8 | Very high | 94.3 | Very high | 57 Ų | 57 | 96.6 Ų | 96.6 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F17 V18 V24 L25 | F17-A21 WeakPolarHBondContact O-CB 3.44Å; F17-A21 PolarHBondContact O-N 3.4Å; V18-A21 PolarHBondContact O-N 3.28Å; A21-V24 PolarHBondContact O-N 3.41Å; A21-L25 VanDerWaalsContact O-CB 3.32Å; A21-L25 WeakPolarHBondContact O-CB 3.42Å; A21-L25 PolarHBondContact O-N 3.17Å |
| 22 | T | 95.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 93.5 Ų | 93.5 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 174.6 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | V18 T19 I20 L25 T26 | V18-T22 HydrophobicContact CG1-CG2 4.43Å; V18-T22 WeakPolarHBondContact O-CB 3.43Å; V18-T22 WeakPolarHBondContact O-CG2 3.35Å; V18-T22 PolarHBondContact O-N 3.07Å; V18-T22 PolarHBondContact O-OG1 3.48Å; T19-T22 WeakPolarHBondContact CA-OG1 3.42Å; T19-T22 PolarHBondContact O-OG1 3.32Å; T19-T22 VanDerWaalsContact O-OG1 3.06Å; I20-T22 PolarHBondContact O-N 3.47Å; T22-L25 PolarHBondContact O-N 3.47Å; T22-T26 WeakPolarHBondContact O-CB 3.45Å; T22-T26 WeakPolarHBondContact O-CG2 3.05Å; T22-T26 PolarHBondContact O-N 3.45Å; T22-T26 PolarHBondContact O-OG1 3Å |
| 23 | S | 97.2 | Very high | 95.3 | Very high | 62 Ų | 62 | 91.6 Ų | 91.6 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 174.1 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | T19 I20 T26 L27 | T19-S23 VanDerWaalsContact O-CB 3.3Å; T19-S23 WeakPolarHBondContact O-CB 3.17Å; T19-S23 PolarHBondContact O-N 2.81Å; T19-S23 PolarHBondContact O-OG 3.43Å; I20-S23 PolarHBondContact O-N 3.39Å; S23-T26 WeakPolarHBondContact CA-OG1 3.45Å; S23-T26 PolarHBondContact O-OG1 3.45Å; S23-L27 WeakPolarHBondContact O-CB 3.49Å; S23-L27 VanDerWaalsContact O-CG 3.28Å; S23-L27 WeakPolarHBondContact O-CG 3.22Å; S23-L27 PolarHBondContact O-N 3.38Å |
| 24 | V | 97.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 87.7 Ų | 87.7 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I20 A21 L27 F28 | I20-V24 HydrophobicContact CG2-CG2 4.35Å; I20-V24 WeakPolarHBondContact O-CG2 3.37Å; I20-V24 PolarHBondContact O-N 3.44Å; A21-V24 PolarHBondContact O-N 3.41Å; V24-L27 PolarHBondContact O-N 3.03Å; V24-F28 WeakPolarHBondContact O-CB 3.1Å; V24-F28 PolarHBondContact O-N 2.9Å |
| 25 | L | 96.9 | Very high | 96 | Very high | 117 Ų | 117 | 85.8 Ų | 85.8 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 178.2 | -176.5 | 63.3 | 0 | 0 | 0 | 112.4 | A21 T22 F28 A29 | A21-L25 VanDerWaalsContact O-CB 3.32Å; A21-L25 WeakPolarHBondContact O-CB 3.42Å; A21-L25 PolarHBondContact O-N 3.17Å; T22-L25 PolarHBondContact O-N 3.47Å; L25-F28 PolarHBondContact O-N 3.42Å; L25-A29 WeakPolarHBondContact O-CB 3.49Å; L25-A29 PolarHBondContact O-N 3.43Å |
| 26 | T | 97.2 | Very high | 96.4 | Very high | 81 Ų | 81 | 85.4 Ų | 85.4 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 176.8 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | T22 S23 F28 A29 L30 | T22-T26 WeakPolarHBondContact O-CB 3.45Å; T22-T26 WeakPolarHBondContact O-CG2 3.05Å; T22-T26 PolarHBondContact O-N 3.45Å; T22-T26 PolarHBondContact O-OG1 3Å; S23-T26 WeakPolarHBondContact CA-OG1 3.45Å; S23-T26 PolarHBondContact O-OG1 3.45Å; T26-F28 VanDerWaalsContact C-N 3.35Å; T26-F28 PolarHBondContact O-N 2.81Å; T26-A29 PolarHBondContact O-N 3.46Å; T26-L30 WeakPolarHBondContact O-CB 3.42Å; T26-L30 VanDerWaalsContact O-CG 3.3Å; T26-L30 WeakPolarHBondContact O-CG 3.24Å; T26-L30 PolarHBondContact O-N 3.26Å |
| 27 | L | 97.4 | Very high | 96.5 | Very high | 106 Ų | 106 | 88.7 Ų | 88.7 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.3 | -42.7 | 172.8 | -73.4 | 171.7 | 0 | 0 | 0 | 112.1 | S23 V24 L30 L31 | S23-L27 WeakPolarHBondContact O-CB 3.49Å; S23-L27 VanDerWaalsContact O-CG 3.28Å; S23-L27 WeakPolarHBondContact O-CG 3.22Å; S23-L27 PolarHBondContact O-N 3.38Å; V24-L27 PolarHBondContact O-N 3.03Å; L27-L30 PolarHBondContact O-N 3.49Å; L27-L31 WeakPolarHBondContact O-CG 3.04Å; L27-L31 PolarHBondContact O-N 3.4Å |
| 28 | F | 97.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 87.6 Ų | 87.6 | 52% | 0.522 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.2 | -175 | -108.2 | 0 | 0 | 0 | 112.2 | V24 L25 T26 L30 L31 L32 | V24-F28 WeakPolarHBondContact O-CB 3.1Å; V24-F28 PolarHBondContact O-N 2.9Å; L25-F28 PolarHBondContact O-N 3.42Å; T26-F28 VanDerWaalsContact C-N 3.35Å; T26-F28 PolarHBondContact O-N 2.81Å; F28-L30 PolarHBondContact O-N 3.38Å; F28-L31 PolarHBondContact O-N 3.4Å; F28-L32 HydrophobicContact CD1-CD1 3.94Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.46Å; F28-L32 VanDerWaalsContact CE1-CD1 3.46Å; F28-L32 HydrophobicContact CE1-CG 4.1Å; F28-L32 HydrophobicContact CZ-CD1 3.9Å; F28-L32 HydrophobicContact CZ-CD2 4.29Å; F28-L32 HydrophobicContact CZ-CG 4.17Å; F28-L32 WeakPolarHBondContact O-CG 3.46Å; F28-L32 PolarHBondContact O-N 3.2Å |
| 29 | A | 96.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 92.6 Ų | 92.6 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L25 T26 L32 T33 | L25-A29 WeakPolarHBondContact O-CB 3.49Å; L25-A29 PolarHBondContact O-N 3.43Å; T26-A29 PolarHBondContact O-N 3.46Å; A29-L32 PolarHBondContact O-N 3.34Å; A29-T33 WeakPolarHBondContact O-CB 3.39Å; A29-T33 WeakPolarHBondContact O-CG2 3.47Å; A29-T33 PolarHBondContact O-N 3.37Å; A29-T33 PolarHBondContact O-OG1 3.3Å |
| 30 | L | 97 | Very high | 96.7 | Very high | 112 Ų | 112 | 95.7 Ų | 95.7 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | 174.2 | -72.2 | 171.4 | 0 | 0 | 0 | 112 | T26 L27 F28 T33 A34 | T26-L30 WeakPolarHBondContact O-CB 3.42Å; T26-L30 VanDerWaalsContact O-CG 3.3Å; T26-L30 WeakPolarHBondContact O-CG 3.24Å; T26-L30 PolarHBondContact O-N 3.26Å; L27-L30 PolarHBondContact O-N 3.49Å; F28-L30 PolarHBondContact O-N 3.38Å; L30-T33 WeakPolarHBondContact CA-OG1 3.27Å; L30-T33 PolarHBondContact O-OG1 3.43Å; L30-A34 VanDerWaalsContact O-CB 3.27Å; L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 3.22Å |
| 31 | L | 97.2 | Very high | 96.7 | Very high | 125 Ų | 125 | 94.4 Ų | 94.4 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 175.2 | -70.6 | 172.5 | 0 | 0 | 0 | 112.3 | L27 F28 A34 A35 | L27-L31 WeakPolarHBondContact O-CG 3.04Å; L27-L31 PolarHBondContact O-N 3.4Å; F28-L31 PolarHBondContact O-N 3.4Å; L31-A34 PolarHBondContact O-N 3.24Å; L31-A35 WeakPolarHBondContact O-CB 3.37Å; L31-A35 PolarHBondContact O-N 2.95Å |
| 32 | L | 96.8 | Very high | 96.7 | Very high | 94 Ų | 94 | 96.4 Ų | 96.4 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 176 | -72.7 | -177.6 | 0 | 0 | 0 | 112.1 | F28 A29 A35 V36 | F28-L32 HydrophobicContact CD1-CD1 3.94Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.46Å; F28-L32 VanDerWaalsContact CE1-CD1 3.46Å; F28-L32 HydrophobicContact CE1-CG 4.1Å; F28-L32 HydrophobicContact CZ-CD1 3.9Å; F28-L32 HydrophobicContact CZ-CD2 4.29Å; F28-L32 HydrophobicContact CZ-CG 4.17Å; F28-L32 WeakPolarHBondContact O-CG 3.46Å; F28-L32 PolarHBondContact O-N 3.2Å; A29-L32 PolarHBondContact O-N 3.34Å; L32-A35 PolarHBondContact O-N 3.44Å; L32-V36 WeakPolarHBondContact O-CG2 3.47Å; L32-V36 PolarHBondContact O-N 3.4Å |
| 33 | T | 96.7 | Very high | 96.6 | Very high | 76 Ų | 76 | 98.8 Ų | 98.8 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -41 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | A29 L30 A35 V36 I37 | A29-T33 WeakPolarHBondContact O-CB 3.39Å; A29-T33 WeakPolarHBondContact O-CG2 3.47Å; A29-T33 PolarHBondContact O-N 3.37Å; A29-T33 PolarHBondContact O-OG1 3.3Å; L30-T33 WeakPolarHBondContact CA-OG1 3.27Å; L30-T33 PolarHBondContact O-OG1 3.43Å; T33-A35 PolarHBondContact O-N 3.29Å; T33-V36 PolarHBondContact O-N 3.38Å; T33-I37 WeakPolarHBondContact O-CB 3.5Å; T33-I37 WeakPolarHBondContact O-CD1 3.44Å; T33-I37 VanDerWaalsContact O-CG1 3.22Å; T33-I37 WeakPolarHBondContact O-CG1 3.34Å; T33-I37 PolarHBondContact O-N 3.1Å |
| 34 | A | 97 | Very high | 96.5 | Very high | 45 Ų | 45 | 99.1 Ų | 99.1 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 L31 I37 Q38 | L30-A34 VanDerWaalsContact O-CB 3.27Å; L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 3.22Å; L31-A34 PolarHBondContact O-N 3.24Å; A34-I37 PolarHBondContact O-N 3.22Å; A34-Q38 WeakPolarHBondContact O-CB 3.48Å; A34-Q38 WeakPolarHBondContact O-CG 3.34Å; A34-Q38 PolarHBondContact O-N 2.93Å |
| 35 | A | 97.2 | Very high | 96.4 | Very high | 41 Ų | 41 | 100 Ų | 100 | 34% | 0.339 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L31 L32 T33 R39 | L31-A35 WeakPolarHBondContact O-CB 3.37Å; L31-A35 PolarHBondContact O-N 2.95Å; L32-A35 PolarHBondContact O-N 3.44Å; T33-A35 PolarHBondContact O-N 3.29Å; A35-R39 WeakPolarHBondContact O-CG 3.43Å; A35-R39 PolarHBondContact O-N 3.48Å |
| 36 | V | 96.8 | Very high | 96.3 | Very high | 98 Ų | 98 | 99 Ų | 99 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L32 T33 R39 K40 | L32-V36 WeakPolarHBondContact O-CG2 3.47Å; L32-V36 PolarHBondContact O-N 3.4Å; T33-V36 PolarHBondContact O-N 3.38Å; V36-R39 PolarHBondContact O-N 3.48Å; V36-K40 WeakPolarHBondContact O-CB 3.49Å; V36-K40 PolarHBondContact O-N 3.42Å |
| 37 | I | 96.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 99.7 Ų | 99.7 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 176.6 | -71.1 | 164.7 | 0 | 0 | 0 | 110.5 | T33 A34 R39 K40 I41 | T33-I37 WeakPolarHBondContact O-CB 3.5Å; T33-I37 WeakPolarHBondContact O-CD1 3.44Å; T33-I37 VanDerWaalsContact O-CG1 3.22Å; T33-I37 WeakPolarHBondContact O-CG1 3.34Å; T33-I37 PolarHBondContact O-N 3.1Å; A34-I37 PolarHBondContact O-N 3.22Å; I37-R39 PolarHBondContact O-N 2.77Å; I37-K40 PolarHBondContact O-N 3.47Å; I37-I41 HydrophobicContact CG2-CD1 3.61Å; I37-I41 HydrophobicContact CG2-CG1 4.26Å; I37-I41 VanDerWaalsContact O-CG1 3.3Å; I37-I41 WeakPolarHBondContact O-CG1 3.49Å; I37-I41 PolarHBondContact O-N 3.3Å |
| 38 | Q | 95.1 | Very high | 95.9 | Very high | 125 Ų | 125 | 97.3 Ų | 97.3 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58 | -47.5 | 175.6 | -76.4 | 178.7 | -13.1 | 0 | 0 | 112.1 | A34 K40 I41 N42 | A34-Q38 WeakPolarHBondContact O-CB 3.48Å; A34-Q38 WeakPolarHBondContact O-CG 3.34Å; A34-Q38 PolarHBondContact O-N 2.93Å; Q38-K40 VanDerWaalsContact C-N 3.32Å; Q38-K40 PolarHBondContact O-N 2.04Å; Q38-I41 PolarHBondContact O-N 2.96Å; Q38-N42 PolarHBondContact O-N 3.12Å; Q38-N42 PolarHBondContact O-OD1 3.26Å |
| 39 | R | 96.3 | Very high | 95.8 | Very high | 191 Ų | 191 | 97.7 Ų | 97.7 | 72% | 0.721 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.4 | -43.4 | 175.4 | -75.6 | 179.1 | 176.7 | -162.1 | -0.7 | 111.9 | A35 V36 I37 L43 | A35-R39 WeakPolarHBondContact O-CG 3.43Å; A35-R39 PolarHBondContact O-N 3.48Å; V36-R39 PolarHBondContact O-N 3.48Å; I37-R39 PolarHBondContact O-N 2.77Å; R39-L43 WeakPolarHBondContact O-CB 3.22Å; R39-L43 VanDerWaalsContact O-CG 3.31Å; R39-L43 WeakPolarHBondContact O-CG 3.25Å; R39-L43 PolarHBondContact O-N 3.47Å; R39-L43 VanDerWaalsContact O-N 3.08Å |
| 40 | K | 96.6 | Very high | 95.6 | Very high | 147 Ų | 147 | 100.6 Ų | 100.6 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.5 | -43.8 | 178.5 | -170.5 | 173.6 | -178.8 | 178.3 | 0 | 111.9 | V36 I37 Q38 L43 T44 | V36-K40 WeakPolarHBondContact O-CB 3.49Å; V36-K40 PolarHBondContact O-N 3.42Å; I37-K40 PolarHBondContact O-N 3.47Å; Q38-K40 VanDerWaalsContact C-N 3.32Å; Q38-K40 PolarHBondContact O-N 2.04Å; K40-L43 PolarHBondContact O-N 3.37Å; K40-T44 WeakPolarHBondContact O-CG2 3.33Å; K40-T44 PolarHBondContact O-N 3.43Å; K40-T44 PolarHBondContact O-OG1 2.99Å; K40-T44 VanDerWaalsContact O-OG1 3.1Å |
| 41 | I | 95 | Very high | 95.5 | Very high | 78 Ų | 78 | 102.7 Ų | 102.7 | 40% | 0.4 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.9 | -52.2 | 176.4 | -70.8 | 168.4 | 0 | 0 | 0 | 109.9 | I37 Q38 L43 T44 Q45 | I37-I41 HydrophobicContact CG2-CD1 3.61Å; I37-I41 HydrophobicContact CG2-CG1 4.26Å; I37-I41 VanDerWaalsContact O-CG1 3.3Å; I37-I41 WeakPolarHBondContact O-CG1 3.49Å; I37-I41 PolarHBondContact O-N 3.3Å; Q38-I41 PolarHBondContact O-N 2.96Å; I41-L43 VanDerWaalsContact C-N 3.32Å; I41-L43 PolarHBondContact O-N 3.17Å; I41-T44 WeakPolarHBondContact CA-OG1 3.37Å; I41-T44 CarbonylContact O-C 3.52Å; I41-T44 PolarHBondContact O-N 3.47Å; I41-T44 VanDerWaalsContact O-N 3.09Å; I41-T44 PolarHBondContact O-OG1 3.01Å; I41-Q45 HydrophobicContact CG2-CG 4.35Å; I41-Q45 WeakPolarHBondContact O-CG 3.41Å; I41-Q45 PolarHBondContact O-N 2.9Å |
| 42 | N | 95.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 99.6 Ų | 99.6 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | -179.1 | -64.7 | 1.6 | 0 | 0 | 0 | 112 | Q38 Q45 L46 | Q38-N42 PolarHBondContact O-N 3.12Å; Q38-N42 PolarHBondContact O-OD1 3.26Å; N42-Q45 PolarHBondContact O-N 3.5Å; N42-L46 PolarHBondContact O-N 3.46Å |
| 43 | L | 95.8 | Very high | 95.2 | Very high | 121 Ų | 121 | 100.1 Ų | 100.1 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | 174.8 | -72.8 | 170.3 | 0 | 0 | 0 | 112.3 | R39 K40 I41 Q45 L46 E47 | R39-L43 WeakPolarHBondContact O-CB 3.22Å; R39-L43 VanDerWaalsContact O-CG 3.31Å; R39-L43 WeakPolarHBondContact O-CG 3.25Å; R39-L43 PolarHBondContact O-N 3.47Å; R39-L43 VanDerWaalsContact O-N 3.08Å; K40-L43 PolarHBondContact O-N 3.37Å; I41-L43 VanDerWaalsContact C-N 3.32Å; I41-L43 PolarHBondContact O-N 3.17Å; L43-Q45 VanDerWaalsContact C-N 3.35Å; L43-L46 PolarHBondContact O-N 2.82Å; L43-E47 PolarHBondContact O-N 3.23Å |
| 44 | T | 94.3 | Very high | 94.9 | Very high | 69 Ų | 69 | 99 Ų | 99 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.4 | -30.9 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | K40 I41 A48 | K40-T44 WeakPolarHBondContact O-CG2 3.33Å; K40-T44 PolarHBondContact O-N 3.43Å; K40-T44 PolarHBondContact O-OG1 2.99Å; K40-T44 VanDerWaalsContact O-OG1 3.1Å; I41-T44 WeakPolarHBondContact CA-OG1 3.37Å; I41-T44 CarbonylContact O-C 3.52Å; I41-T44 PolarHBondContact O-N 3.47Å; I41-T44 VanDerWaalsContact O-N 3.09Å; I41-T44 PolarHBondContact O-OG1 3.01Å; T44-A48 VanDerWaalsContact O-CB 3.24Å; T44-A48 WeakPolarHBondContact O-CB 3.43Å; T44-A48 PolarHBondContact O-N 2.63Å |
| 45 | Q | 94.3 | Very high | 94.7 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -48.4 | 172.6 | -77 | -179.1 | -38.3 | 0 | 0 | 110.7 | I41 N42 L43 E47 A48 E49 | I41-Q45 HydrophobicContact CG2-CG 4.35Å; I41-Q45 WeakPolarHBondContact O-CG 3.41Å; I41-Q45 PolarHBondContact O-N 2.9Å; N42-Q45 PolarHBondContact O-N 3.5Å; L43-Q45 VanDerWaalsContact C-N 3.35Å; Q45-E47 VanDerWaalsContact C-N 3.32Å; Q45-E47 PolarHBondContact O-N 3.25Å; Q45-A48 WeakPolarHBondContact O-CB 3.4Å; Q45-A48 PolarHBondContact O-N 2.9Å; Q45-A48 VanDerWaalsContact O-N 3.12Å; Q45-E49 WeakPolarHBondContact O-CG 3.43Å; Q45-E49 PolarHBondContact O-N 3.47Å |
| 46 | L | 94.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 109.3 Ų | 109.3 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 175.9 | -173 | 71.1 | 0 | 0 | 0 | 112 | N42 L43 E49 L50 | N42-L46 PolarHBondContact O-N 3.46Å; L43-L46 PolarHBondContact O-N 2.82Å; L46-E49 PolarHBondContact O-N 3.26Å; L46-L50 HydrophobicContact CG-CD1 4.27Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.24Å; L46-L50 PolarHBondContact O-N 2.84Å |
| 47 | E | 94.1 | Very high | 94.3 | Very high | 95 Ų | 95 | 112.4 Ų | 112.4 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 176 | -173.8 | 175.4 | -151.5 | 0 | 0 | 112.3 | L43 Q45 R51 | L43-E47 PolarHBondContact O-N 3.23Å; Q45-E47 VanDerWaalsContact C-N 3.32Å; Q45-E47 PolarHBondContact O-N 3.25Å; E47-R51 HydrophobicContact CG-CG 4.5Å; E47-R51 WeakPolarHBondContact O-CB 3.5Å; E47-R51 VanDerWaalsContact O-CG 3.22Å; E47-R51 WeakPolarHBondContact O-CG 3.3Å; E47-R51 PolarHBondContact O-N 3.2Å; E47-R51 IonicContact OE1-CZ 3.91Å; E47-R51 VanDerWaalsContact OE1-CZ 3.3Å; E47-R51 IonicContact OE1-NE 3.3Å; E47-R51 PolarHBondContact OE1-NE 3.24Å; E47-R51 IonicContact OE1-NH2 2.65Å; E47-R51 PolarHBondContact OE1-NH2 3Å; E47-R51 IonicContact OE2-CZ 3.95Å; E47-R51 IonicContact OE2-NH2 3.49Å; E47-R51 PolarHBondContact OE2-NH2 3.21Å |
| 48 | A | 94.1 | Very high | 94 | Very high | 56 Ų | 56 | 114.5 Ų | 114.5 | 46% | 0.463 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T44 Q45 R51 A52 | T44-A48 VanDerWaalsContact O-CB 3.24Å; T44-A48 WeakPolarHBondContact O-CB 3.43Å; T44-A48 PolarHBondContact O-N 2.63Å; Q45-A48 WeakPolarHBondContact O-CB 3.4Å; Q45-A48 PolarHBondContact O-N 2.9Å; Q45-A48 VanDerWaalsContact O-N 3.12Å; A48-R51 PolarHBondContact O-N 2.89Å; A48-A52 VanDerWaalsContact O-CB 3.25Å; A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 2.8Å |
| 49 | E | 94.3 | Very high | 93.9 | Very high | 128 Ų | 128 | 111.5 Ų | 111.5 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -48.4 | 175.8 | -73.7 | 177.9 | 174.5 | 0 | 0 | 111.7 | Q45 L46 R51 A52 E53 | Q45-E49 WeakPolarHBondContact O-CG 3.43Å; Q45-E49 PolarHBondContact O-N 3.47Å; L46-E49 PolarHBondContact O-N 3.26Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.15Å; E49-A52 WeakPolarHBondContact O-CB 3.48Å; E49-A52 PolarHBondContact O-N 3.13Å; E49-A52 VanDerWaalsContact O-N 3.14Å; E49-E53 PolarHBondContact O-N 3.15Å |
| 50 | L | 93.6 | Very high | 93.6 | Very high | 110 Ų | 110 | 105.5 Ų | 105.5 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.5 | -42.7 | 175.5 | -73.1 | 168 | 0 | 0 | 0 | 112.1 | L46 S54 | L46-L50 HydrophobicContact CG-CD1 4.27Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.24Å; L46-L50 PolarHBondContact O-N 2.84Å; L50-S54 PolarHBondContact O-N 2.71Å; L50-S54 VanDerWaalsContact O-N 3.08Å |
| 51 | R | 93.6 | Very high | 93.4 | Very high | 155 Ų | 155 | 102.7 Ų | 102.7 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 175.1 | -73 | 172.4 | -177.7 | -172.9 | 3.1 | 111.4 | E47 A48 E49 S54 F55 | E47-R51 HydrophobicContact CG-CG 4.5Å; E47-R51 WeakPolarHBondContact O-CB 3.5Å; E47-R51 VanDerWaalsContact O-CG 3.22Å; E47-R51 WeakPolarHBondContact O-CG 3.3Å; E47-R51 PolarHBondContact O-N 3.2Å; E47-R51 IonicContact OE1-CZ 3.91Å; E47-R51 VanDerWaalsContact OE1-CZ 3.3Å; E47-R51 IonicContact OE1-NE 3.3Å; E47-R51 PolarHBondContact OE1-NE 3.24Å; E47-R51 IonicContact OE1-NH2 2.65Å; E47-R51 PolarHBondContact OE1-NH2 3Å; E47-R51 IonicContact OE2-CZ 3.95Å; E47-R51 IonicContact OE2-NH2 3.49Å; E47-R51 PolarHBondContact OE2-NH2 3.21Å; A48-R51 PolarHBondContact O-N 2.89Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.15Å; R51-S54 PolarHBondContact O-N 2.88Å; R51-S54 PolarHBondContact O-OG 3.34Å; R51-F55 WeakPolarHBondContact O-CB 3.47Å; R51-F55 PolarHBondContact O-N 3.44Å |
| 52 | A | 93.9 | Very high | 93.1 | Very high | 60 Ų | 60 | 104 Ų | 104 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A48 E49 F55 K56 | A48-A52 VanDerWaalsContact O-CB 3.25Å; A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 2.8Å; E49-A52 WeakPolarHBondContact O-CB 3.48Å; E49-A52 PolarHBondContact O-N 3.13Å; E49-A52 VanDerWaalsContact O-N 3.14Å; A52-F55 PolarHBondContact O-N 3.27Å; A52-K56 WeakPolarHBondContact O-CB 3.22Å; A52-K56 PolarHBondContact O-N 3.14Å |
| 53 | E | 93.9 | Very high | 92.6 | Very high | 106 Ų | 106 | 106.5 Ų | 106.5 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 171.2 | -78.7 | -150 | 179.5 | 0 | 0 | 112.2 | E49 F55 K56 R57 | E49-E53 PolarHBondContact O-N 3.15Å; E53-F55 PolarHBondContact O-N 3.14Å; E53-K56 PolarHBondContact O-N 3.35Å; E53-R57 WeakPolarHBondContact O-CG 3.41Å; E53-R57 PolarHBondContact O-N 3Å; E53-R57 IonicContact OE2-CZ 3.8Å; E53-R57 IonicContact OE2-NE 3.42Å; E53-R57 IonicContact OE2-NH2 2.82Å; E53-R57 PolarHBondContact OE2-NH2 3.3Å |
| 54 | S | 91.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 104 Ų | 104 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | -179.6 | 83.8 | 0 | 0 | 0 | 0 | 111.9 | L50 R51 K58 | L50-S54 PolarHBondContact O-N 2.71Å; L50-S54 VanDerWaalsContact O-N 3.08Å; R51-S54 PolarHBondContact O-N 2.88Å; R51-S54 PolarHBondContact O-OG 3.34Å; S54-K58 WeakPolarHBondContact O-CG 3.3Å; S54-K58 PolarHBondContact O-N 3.04Å |
| 55 | F | 92.5 | Very high | 91.6 | Very high | 140 Ų | 140 | 105.9 Ų | 105.9 | 61% | 0.614 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.5 | -45.5 | 175.2 | -174.3 | -104.3 | 0 | 0 | 0 | 111.1 | R51 A52 E53 R57 K58 V59 | R51-F55 WeakPolarHBondContact O-CB 3.47Å; R51-F55 PolarHBondContact O-N 3.44Å; A52-F55 PolarHBondContact O-N 3.27Å; E53-F55 PolarHBondContact O-N 3.14Å; F55-R57 VanDerWaalsContact C-N 3.32Å; F55-R57 PolarHBondContact O-N 3.28Å; F55-K58 PolarHBondContact O-N 3.16Å; F55-K58 VanDerWaalsContact O-N 3.17Å; F55-V59 HydrophobicContact CD1-CG2 3.89Å; F55-V59 HydrophobicContact CD2-CG2 4.27Å; F55-V59 HydrophobicContact CE1-CG2 3.55Å; F55-V59 HydrophobicContact CE2-CG2 3.95Å; F55-V59 HydrophobicContact CG-CG2 4.25Å; F55-V59 HydrophobicContact CZ-CG2 3.57Å; F55-V59 WeakPolarHBondContact O-CB 3.48Å; F55-V59 WeakPolarHBondContact O-CG2 3.37Å; F55-V59 PolarHBondContact O-N 3.27Å |
| 56 | K | 93.1 | Very high | 90.8 | Very high | 161 Ų | 161 | 106.3 Ų | 106.3 | 70% | 0.7 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -56.6 | -43.8 | 177.3 | -172.6 | 177.6 | 179.7 | -178.2 | 0 | 111.9 | A52 E53 V59 S60 | A52-K56 WeakPolarHBondContact O-CB 3.22Å; A52-K56 PolarHBondContact O-N 3.14Å; E53-K56 PolarHBondContact O-N 3.35Å; K56-V59 PolarHBondContact O-N 2.92Å; K56-S60 PolarHBondContact O-N 3.4Å; K56-S60 PolarHBondContact O-OG 3.27Å |
| 57 | R | 91.4 | Very high | 90 | Very high | 163 Ų | 163 | 107.6 Ų | 107.6 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 175.7 | -64.6 | -179.4 | -157.1 | -164.4 | 7.5 | 112.2 | E53 F55 S60 V61 | E53-R57 WeakPolarHBondContact O-CG 3.41Å; E53-R57 PolarHBondContact O-N 3Å; E53-R57 IonicContact OE2-CZ 3.8Å; E53-R57 IonicContact OE2-NE 3.42Å; E53-R57 IonicContact OE2-NH2 2.82Å; E53-R57 PolarHBondContact OE2-NH2 3.3Å; F55-R57 VanDerWaalsContact C-N 3.32Å; F55-R57 PolarHBondContact O-N 3.28Å; R57-S60 WeakPolarHBondContact CA-OG 3.49Å; R57-S60 PolarHBondContact O-N 3.09Å; R57-S60 PolarHBondContact O-OG 3.37Å; R57-V61 WeakPolarHBondContact O-CG2 3.41Å; R57-V61 PolarHBondContact O-N 2.84Å |
| 58 | K | 91 | Very high | 89.2 | Confident | 141 Ų | 141 | 108.1 Ų | 108.1 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 176.5 | -73.8 | 172.4 | 179.8 | 176 | 0 | 112 | S54 F55 V61 L62 | S54-K58 WeakPolarHBondContact O-CG 3.3Å; S54-K58 PolarHBondContact O-N 3.04Å; F55-K58 PolarHBondContact O-N 3.16Å; F55-K58 VanDerWaalsContact O-N 3.17Å; K58-V61 PolarHBondContact O-N 2.81Å; K58-L62 WeakPolarHBondContact O-CG 3.31Å; K58-L62 PolarHBondContact O-N 3.17Å |
| 59 | V | 91.9 | Very high | 87.9 | Confident | 61 Ų | 61 | 109.7 Ų | 109.7 | 37% | 0.37 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 178 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | F55 K56 V61 L62 W63 | F55-V59 HydrophobicContact CD1-CG2 3.89Å; F55-V59 HydrophobicContact CD2-CG2 4.27Å; F55-V59 HydrophobicContact CE1-CG2 3.55Å; F55-V59 HydrophobicContact CE2-CG2 3.95Å; F55-V59 HydrophobicContact CG-CG2 4.25Å; F55-V59 HydrophobicContact CZ-CG2 3.57Å; F55-V59 WeakPolarHBondContact O-CB 3.48Å; F55-V59 WeakPolarHBondContact O-CG2 3.37Å; F55-V59 PolarHBondContact O-N 3.27Å; K56-V59 PolarHBondContact O-N 2.92Å; V59-V61 VanDerWaalsContact C-N 3.33Å; V59-V61 PolarHBondContact O-N 3.24Å; V59-L62 PolarHBondContact O-N 2.82Å; V59-W63 VanDerWaalsContact O-CB 3.27Å; V59-W63 WeakPolarHBondContact O-CB 3.34Å; V59-W63 PolarHBondContact O-N 3.44Å |
| 60 | S | 91.2 | Very high | 86.3 | Confident | 66 Ų | 66 | 110.7 Ų | 110.7 | 46% | 0.462 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.6 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | K56 R57 W63 T64 | K56-S60 PolarHBondContact O-N 3.4Å; K56-S60 PolarHBondContact O-OG 3.27Å; R57-S60 WeakPolarHBondContact CA-OG 3.49Å; R57-S60 PolarHBondContact O-N 3.09Å; R57-S60 PolarHBondContact O-OG 3.37Å; S60-W63 PolarHBondContact O-N 3.49Å; S60-T64 PolarHBondContact O-N 2.9Å; S60-T64 PolarHBondContact O-OG1 3.45Å |
| 61 | V | 90.9 | Very high | 84.7 | Confident | 87 Ų | 87 | 113.1 Ų | 113.1 | 53% | 0.527 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 174.8 | 174.9 | 0 | 0 | 0 | 0 | 111 | R57 K58 V59 W63 T64 E65 | R57-V61 WeakPolarHBondContact O-CG2 3.41Å; R57-V61 PolarHBondContact O-N 2.84Å; K58-V61 PolarHBondContact O-N 2.81Å; V59-V61 VanDerWaalsContact C-N 3.33Å; V59-V61 PolarHBondContact O-N 3.24Å; V61-W63 PolarHBondContact O-N 3.23Å; V61-T64 WeakPolarHBondContact CA-OG1 3.35Å; V61-T64 PolarHBondContact O-N 3.14Å; V61-T64 PolarHBondContact O-OG1 3.35Å; V61-E65 WeakPolarHBondContact O-CG 3.48Å; V61-E65 PolarHBondContact O-N 3.46Å; V61-E65 VanDerWaalsContact O-N 3.09Å |
| 62 | L | 88.9 | Confident | 83 | Confident | 106 Ų | 106 | 112.9 Ų | 112.9 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.6 | -32.9 | 174.7 | -75.8 | 165 | 0 | 0 | 0 | 112.7 | K58 V59 M66 | K58-L62 WeakPolarHBondContact O-CG 3.31Å; K58-L62 PolarHBondContact O-N 3.17Å; V59-L62 PolarHBondContact O-N 2.82Å; L62-M66 VanDerWaalsContact O-CB 3.24Å; L62-M66 WeakPolarHBondContact O-CB 3.3Å; L62-M66 PolarHBondContact O-N 3.36Å |
| 63 | W | 85.3 | Confident | 81.3 | Confident | 153 Ų | 153 | 113.4 Ų | 113.4 | 58% | 0.58 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.9 | -33.2 | 178.4 | -169.3 | -116.6 | 0 | 0 | 0 | 112.9 | V59 S60 V61 M66 K67 | V59-W63 VanDerWaalsContact O-CB 3.27Å; V59-W63 WeakPolarHBondContact O-CB 3.34Å; V59-W63 PolarHBondContact O-N 3.44Å; S60-W63 PolarHBondContact O-N 3.49Å; V61-W63 PolarHBondContact O-N 3.23Å; W63-M66 HydrophobicContact CE3-SD 4.18Å; W63-M66 HydrophobicContact CZ3-SD 4.05Å; W63-K67 WeakPolarHBondContact O-CG 3.42Å; W63-K67 PolarHBondContact O-N 2.65Å; W63-K67 VanDerWaalsContact O-N 3.14Å |
| 64 | T | 86.5 | Confident | 79.2 | Confident | 68 Ų | 68 | 111.3 Ų | 111.3 | 42% | 0.417 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66 | -48.1 | 170.4 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | S60 V61 M66 K67 H68 | S60-T64 PolarHBondContact O-N 2.9Å; S60-T64 PolarHBondContact O-OG1 3.45Å; V61-T64 WeakPolarHBondContact CA-OG1 3.35Å; V61-T64 PolarHBondContact O-N 3.14Å; V61-T64 PolarHBondContact O-OG1 3.35Å; T64-M66 PolarHBondContact O-N 3.05Å; T64-K67 WeakPolarHBondContact O-CB 3.49Å; T64-K67 PolarHBondContact O-N 3.21Å; T64-K67 VanDerWaalsContact O-N 3.16Å; T64-H68 PolarHBondContact O-CD2 2.96Å; T64-H68 PolarHBondContact O-N 2.83Å |
| 65 | E | 82.6 | Confident | 77 | Confident | 109 Ų | 109 | 119.3 Ų | 119.3 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.6 | -45.8 | 175.7 | -64.2 | -46.2 | 119.1 | 0 | 0 | 112.1 | V61 K67 H68 V69 | V61-E65 WeakPolarHBondContact O-CG 3.48Å; V61-E65 PolarHBondContact O-N 3.46Å; V61-E65 VanDerWaalsContact O-N 3.09Å; E65-K67 VanDerWaalsContact C-N 3.27Å; E65-K67 PolarHBondContact O-N 3.43Å; E65-H68 PolarHBondContact O-N 2.88Å; E65-H68 VanDerWaalsContact O-N 3.14Å; E65-V69 PolarHBondContact O-N 2.86Å |
| 66 | M | 77.9 | Confident | 74.7 | Confident | 118 Ų | 118 | 118.5 Ų | 118.5 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.4 | -32.1 | 179.3 | -169.2 | -179.5 | -170.4 | 0 | 0 | 112.7 | L62 W63 T64 K70 | L62-M66 VanDerWaalsContact O-CB 3.24Å; L62-M66 WeakPolarHBondContact O-CB 3.3Å; L62-M66 PolarHBondContact O-N 3.36Å; W63-M66 HydrophobicContact CE3-SD 4.18Å; W63-M66 HydrophobicContact CZ3-SD 4.05Å; T64-M66 PolarHBondContact O-N 3.05Å; M66-K70 WeakPolarHBondContact O-CB 3.27Å; M66-K70 PolarHBondContact O-N 3.49Å |
| 67 | K | 78.8 | Confident | 72.4 | Confident | 123 Ų | 123 | 121.8 Ų | 121.8 | 54% | 0.535 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66 | -43.7 | 173.8 | -78.5 | 179.1 | -178.2 | -175.8 | 0 | 111.9 | W63 T64 E65 K70 Q71 | W63-K67 WeakPolarHBondContact O-CG 3.42Å; W63-K67 PolarHBondContact O-N 2.65Å; W63-K67 VanDerWaalsContact O-N 3.14Å; T64-K67 WeakPolarHBondContact O-CB 3.49Å; T64-K67 PolarHBondContact O-N 3.21Å; T64-K67 VanDerWaalsContact O-N 3.16Å; E65-K67 VanDerWaalsContact C-N 3.27Å; E65-K67 PolarHBondContact O-N 3.43Å; K67-K70 PolarHBondContact O-N 3.41Å; K67-K70 VanDerWaalsContact O-N 3.15Å; K67-Q71 PolarHBondContact O-N 2.88Å; K67-Q71 VanDerWaalsContact O-N 3.13Å |
| 68 | H | 75.6 | Confident | 70.3 | Confident | 107 Ų | 107 | 126 Ų | 126 | 50% | 0.495 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.1 | -45.8 | 176.8 | -69.1 | -65.2 | 0 | 0 | 0 | 111.3 | T64 E65 K70 Q71 I72 | T64-H68 PolarHBondContact O-CD2 2.96Å; T64-H68 PolarHBondContact O-N 2.83Å; E65-H68 PolarHBondContact O-N 2.88Å; E65-H68 VanDerWaalsContact O-N 3.14Å; H68-K70 PolarHBondContact O-N 3.17Å; H68-Q71 PolarHBondContact O-N 3.42Å; H68-I72 PolarHBondContact O-N 3.14Å |
| 69 | V | 67.2 | Low | 68.3 | Low | 88 Ų | 88 | 125.1 Ų | 125.1 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.4 | -32.3 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | E65 I72 S73 | E65-V69 PolarHBondContact O-N 2.86Å; V69-I72 PolarHBondContact O-N 3.18Å; V69-S73 WeakPolarHBondContact O-CB 3.5Å; V69-S73 PolarHBondContact O-N 2.99Å; V69-S73 PolarHBondContact O-OG 2.93Å |
| 70 | K | 61.5 | Low | 66.2 | Low | 150 Ų | 150 | 129 Ų | 129 | 65% | 0.652 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.6 | -25.1 | 179 | -155.5 | 178.6 | -178.2 | -170.8 | 0 | 114.1 | M66 K67 H68 S73 | M66-K70 WeakPolarHBondContact O-CB 3.27Å; M66-K70 PolarHBondContact O-N 3.49Å; K67-K70 PolarHBondContact O-N 3.41Å; K67-K70 VanDerWaalsContact O-N 3.15Å; H68-K70 PolarHBondContact O-N 3.17Å; K70-S73 WeakPolarHBondContact CA-OG 3.39Å |
| 71 | Q | 59.6 | Low | 64 | Low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.3 | -36.4 | 167.5 | -74.1 | -176.1 | -76 | 0 | 0 | 111.5 | K67 H68 | K67-Q71 PolarHBondContact O-N 2.88Å; K67-Q71 VanDerWaalsContact O-N 3.13Å; H68-Q71 PolarHBondContact O-N 3.42Å |
| 72 | I | 57.6 | Low | 62.1 | Low | 149 Ų | 149 | 140.8 Ų | 140.8 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75.9 | -37.5 | -180 | -60 | 165.4 | 0 | 0 | 0 | 111.4 | H68 V69 G74 | H68-I72 PolarHBondContact O-N 3.14Å; V69-I72 PolarHBondContact O-N 3.18Å; I72-G74 VanDerWaalsContact C-N 3.26Å; I72-G74 PolarHBondContact O-N 3.22Å |
| 73 | S | 58 | Low | 60.3 | Low | 71 Ų | 71 | 140.4 Ų | 140.4 | 50% | 0.497 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | 25.6 | -179.8 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | V69 K70 Y75 | V69-S73 WeakPolarHBondContact O-CB 3.5Å; V69-S73 PolarHBondContact O-N 2.99Å; V69-S73 PolarHBondContact O-OG 2.93Å; K70-S73 WeakPolarHBondContact CA-OG 3.39Å; S73-Y75 PolarHBondContact O-N 2.78Å; S73-Y75 VanDerWaalsContact O-N 3.15Å |
| 74 | G | 50.5 | Low | 59 | Low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | trans | -63.6 | -11.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I72 | I72-G74 VanDerWaalsContact C-N 3.26Å; I72-G74 PolarHBondContact O-N 3.22Å | ||
| 75 | Y | 45.6 | Very low | 57.4 | Low | 222 Ų | 222 | 143.1 Ų | 143.1 | 87% | 0.871 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -113.9 | 125.8 | 174.7 | -91.2 | -100.7 | 0 | 0 | 0 | 112 | S73 | S73-Y75 PolarHBondContact O-N 2.78Å; S73-Y75 VanDerWaalsContact O-N 3.15Å |
| 76 | S | 44.5 | Very low | 55.9 | Low | 123 Ų | 123 | 145.3 Ų | 145.3 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | 73.4 | 99.4 | 165.5 | -147.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 77 | R | 44.6 | Very low | 54.8 | Low | 229 Ų | 229 | 143.7 Ų | 143.7 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -104.9 | 132.5 | 155.3 | -80.5 | 179.2 | 167.9 | -172.8 | -4.5 | 109.8 | ||||
| 78 | R | 47.4 | Very low | 53.3 | Low | 253 Ų | 253 | 143.9 Ų | 143.9 | 96% | 0.955 | 71% | 0.709 | S | S | * | * | trans | 161.5 | 140 | 154 | -88.7 | 150.5 | -172.7 | -164.9 | 3.5 | 105.8 | ||||
| 79 | S | 47.7 | Very low | 52.1 | Low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | cis | -145.1 | 157 | 12.1 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 80 | M | 48.7 | Very low | 51.4 | Low | 141 Ų | 141 | 142.9 Ų | 142.9 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | trans | -74.9 | 148.5 | -178.6 | -99 | -173.7 | 167.3 | 0 | 0 | 116.1 | ||||
| 81 | R | 45.5 | Very low | 50.8 | Low | 214 Ų | 214 | 142.1 Ų | 142.1 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | trans | 53.8 | 107.5 | 131.1 | -65.1 | 177.5 | 169.8 | 172.4 | -6 | 121.9 | ||||
| 82 | Q | 50.9 | Low | 50.3 | Low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | -160.2 | 147.2 | 147.3 | -98.6 | -176.2 | -43.8 | 0 | 0 | 108.6 | ||||
| 83 | T | 51.1 | Low | 50 | Low | 99 Ų | 99 | 140.7 Ų | 140.7 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | cis | -150.5 | 118.9 | -25.9 | -17.2 | 0 | 0 | 0 | 0 | 111.9 | L85 | T83-L85 PolarHBondContact O-N 3.38Š| ||
| 84 | N | 57 | Low | 49.5 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 31 | -20.1 | 155.9 | -65.5 | -0.8 | 0 | 0 | 0 | 126.4 | ||
| 85 | L | 52.4 | Low | 49.5 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -92.1 | -32.1 | 174.7 | -152.4 | 76.6 | 0 | 0 | 0 | 112.3 | T83 I87 | T83-L85 PolarHBondContact O-N 3.38Å; L85-I87 PolarHBondContact O-N 3.31Å |
| 86 | F | 52 | Low | 49.8 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 68% | 0.68 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -62.2 | -27.7 | 172 | -166.1 | -138.8 | 0 | 0 | 0 | 111.9 | I90 | F86-I90 HydrophobicContact CD1-CD1 3.36Å; F86-I90 HydrophobicContact CD1-CG1 4.45Å; F86-I90 HydrophobicContact CD2-CD1 4.2Å; F86-I90 HydrophobicContact CE1-CD1 3.47Å; F86-I90 VanDerWaalsContact CE1-CD1 3.47Å; F86-I90 HydrophobicContact CE1-CG1 4.49Å; F86-I90 HydrophobicContact CE2-CD1 4.27Å; F86-I90 HydrophobicContact CG-CD1 3.74Å; F86-I90 HydrophobicContact CG-CG1 4.45Å; F86-I90 HydrophobicContact CZ-CD1 3.92Å; F86-I90 WeakPolarHBondContact O-CB 3.41Å; F86-I90 WeakPolarHBondContact O-CD1 3.37Å; F86-I90 VanDerWaalsContact O-CG1 3.22Å; F86-I90 WeakPolarHBondContact O-CG1 3.45Å; F86-I90 PolarHBondContact O-N 3.08Å |
| 87 | I | 54.1 | Low | 49.9 | Very low | 85 Ų | 85 | 138 Ų | 138 | 44% | 0.436 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -69.6 | -41.9 | -173.1 | -59.5 | -174.7 | 0 | 0 | 0 | 112.4 | L85 T89 I90 E91 | L85-I87 PolarHBondContact O-N 3.31Å; I87-T89 PolarHBondContact O-N 2.86Å; I87-I90 CarbonylContact O-C 3.45Å; I87-I90 WeakPolarHBondContact O-CA 3.42Å; I87-I90 WeakPolarHBondContact O-CB 3.37Å; I87-I90 PolarHBondContact O-N 2.82Å; I87-E91 PolarHBondContact O-N 3.42Å |
| 88 | E | 47.9 | Very low | 49.9 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 59% | 0.593 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70 | -33.9 | -178.7 | -165.6 | 177.3 | 173.8 | 0 | 0 | 112.2 | E91 R92 | E88-E91 PolarHBondContact O-N 2.79Å; E88-R92 PolarHBondContact O-N 3.1Å |
| 89 | T | 50.9 | Low | 49.9 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 64% | 0.638 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.5 | -37.5 | 172.6 | -40.9 | 0 | 0 | 0 | 0 | 110.9 | I87 E91 R92 C93 | I87-T89 PolarHBondContact O-N 2.86Å; T89-E91 VanDerWaalsContact C-N 3.31Å; T89-E91 PolarHBondContact O-N 3.45Å; T89-R92 PolarHBondContact O-N 3.12Å; T89-C93 PolarHBondContact O-N 3.37Å; T89-C93 VanDerWaalsContact O-N 3.12Å |
| 90 | I | 51.5 | Low | 50 | Low | 69 Ų | 69 | 131 Ų | 131 | 35% | 0.354 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.3 | -30.7 | 168.6 | -75.5 | 167.1 | 0 | 0 | 0 | 111.9 | F86 I87 G94 | F86-I90 HydrophobicContact CD1-CD1 3.36Å; F86-I90 HydrophobicContact CD1-CG1 4.45Å; F86-I90 HydrophobicContact CD2-CD1 4.2Å; F86-I90 HydrophobicContact CE1-CD1 3.47Å; F86-I90 VanDerWaalsContact CE1-CD1 3.47Å; F86-I90 HydrophobicContact CE1-CG1 4.49Å; F86-I90 HydrophobicContact CE2-CD1 4.27Å; F86-I90 HydrophobicContact CG-CD1 3.74Å; F86-I90 HydrophobicContact CG-CG1 4.45Å; F86-I90 HydrophobicContact CZ-CD1 3.92Å; F86-I90 WeakPolarHBondContact O-CB 3.41Å; F86-I90 WeakPolarHBondContact O-CD1 3.37Å; F86-I90 VanDerWaalsContact O-CG1 3.22Å; F86-I90 WeakPolarHBondContact O-CG1 3.45Å; F86-I90 PolarHBondContact O-N 3.08Å; I87-I90 CarbonylContact O-C 3.45Å; I87-I90 WeakPolarHBondContact O-CA 3.42Å; I87-I90 WeakPolarHBondContact O-CB 3.37Å; I87-I90 PolarHBondContact O-N 2.82Å; I90-G94 WeakPolarHBondContact O-CA 3.44Å; I90-G94 PolarHBondContact O-N 3.37Å |
| 91 | E | 49.4 | Very low | 49.9 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 63% | 0.631 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.1 | -31.9 | 179.5 | -78.7 | -158.6 | 150.9 | 0 | 0 | 113.3 | I87 E88 T89 | I87-E91 PolarHBondContact O-N 3.42Å; E88-E91 PolarHBondContact O-N 2.79Å; T89-E91 VanDerWaalsContact C-N 3.31Å; T89-E91 PolarHBondContact O-N 3.45Å |
| 92 | R | 48.2 | Very low | 50.3 | Low | 208 Ų | 208 | 119.7 Ų | 119.7 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77.6 | -39.5 | 173.3 | -67.9 | -172.6 | -172.8 | 174.2 | 6.6 | 112.3 | E88 T89 G94 | E88-R92 PolarHBondContact O-N 3.1Å; T89-R92 PolarHBondContact O-N 3.12Å; R92-G94 VanDerWaalsContact C-N 3.32Å |
| 93 | C | 51.9 | Low | 50.3 | Low | 72 Ų | 72 | 116.8 Ų | 116.8 | 49% | 0.486 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71 | -31.1 | 172.8 | -157.8 | 0 | 0 | 0 | 0 | 111.9 | T89 K95 C96 I97 | T89-C93 PolarHBondContact O-N 3.37Å; T89-C93 VanDerWaalsContact O-N 3.12Å; C93-K95 VanDerWaalsContact C-N 3.28Å; C93-K95 PolarHBondContact O-N 2.91Å; C93-C96 CarbonylContact O-C 3.6Å; C93-C96 WeakPolarHBondContact O-CA 3.17Å; C93-C96 PolarHBondContact O-N 2.92Å; C93-I97 HydrophobicContact CB-CD1 4.41Å; C93-I97 PolarHBondContact O-N 3.02Å |
| 94 | G | 47.6 | Very low | 50.6 | Low | 32 Ų | 32 | 112.3 Ų | 112.3 | 33% | 0.33 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.1 | -21.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | I90 R92 C96 | I90-G94 WeakPolarHBondContact O-CA 3.44Å; I90-G94 PolarHBondContact O-N 3.37Å; R92-G94 VanDerWaalsContact C-N 3.32Å; G94-C96 PolarHBondContact O-N 3Å |
| 95 | K | 50.9 | Low | 50.9 | Low | 194 Ų | 194 | 114.3 Ų | 114.3 | 84% | 0.843 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -15.3 | 170.1 | -68.5 | -179.2 | -178.1 | 177.4 | 0 | 113 | C93 | C93-K95 VanDerWaalsContact C-N 3.28Å; C93-K95 PolarHBondContact O-N 2.91Å |
| 96 | C | 50.7 | Low | 51.5 | Low | 85 Ų | 85 | 111.6 Ų | 111.6 | 57% | 0.574 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -9.8 | 171.6 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | C93 G94 R98 | C93-C96 CarbonylContact O-C 3.6Å; C93-C96 WeakPolarHBondContact O-CA 3.17Å; C93-C96 PolarHBondContact O-N 2.92Å; G94-C96 PolarHBondContact O-N 3Å; C96-R98 PolarHBondContact O-N 3.44Å |
| 97 | I | 48.2 | Very low | 51.9 | Low | 109 Ų | 109 | 104.8 Ų | 104.8 | 56% | 0.559 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 17.6 | -173.2 | -121.2 | 164 | 0 | 0 | 0 | 114.5 | C93 L99 | C93-I97 HydrophobicContact CB-CD1 4.41Å; C93-I97 PolarHBondContact O-N 3.02Å; I97-L99 PolarHBondContact O-N 3.03Å |
| 98 | R | 44.6 | Very low | 52.7 | Low | 216 Ų | 216 | 108.2 Ų | 108.2 | 82% | 0.815 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 19.4 | 165.8 | -135.2 | 178.4 | -169.8 | 156.8 | 4.3 | 113.6 | C96 M100 | C96-R98 PolarHBondContact O-N 3.44Å; R98-M100 PolarHBondContact O-N 3.02Å |
| 99 | L | 47.7 | Very low | 53.8 | Low | 82 Ų | 82 | 106.4 Ų | 106.4 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | trans | -64.2 | 76.6 | 158.8 | -74.7 | 165.6 | 0 | 0 | 0 | 109.6 | I97 C101 C283 | I97-L99 PolarHBondContact O-N 3.03Å; L99-C101 PolarHBondContact O-N 2.82Å; L99-C283 HydrophobicContact CD2-CB 4.41Å | ||
| 100 | M | 48.9 | Very low | 54.3 | Low | 159 Ų | 159 | 101.8 Ų | 101.8 | 78% | 0.783 | 52% | 0.524 | S | S | * | . | trans | -72.9 | 66 | 159.6 | -65.5 | -169.8 | 73.3 | 0 | 0 | 108.3 | R98 | R98-M100 PolarHBondContact O-N 3.02Š| ||
| 101 | C | 47.5 | Very low | 55.2 | Low | 34 Ų | 34 | 102.2 Ų | 102.2 | 23% | 0.23 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 129.9 | 164.2 | -47.4 | 0 | 0 | 0 | 0 | 106.3 | L99 M103 C283 | L99-C101 PolarHBondContact O-N 2.82Å; C101-M103 PolarHBondContact O-N 2.9Å; C101-C283 HydrophobicContact CB-CB 4.23Å; C101-C283 WeakPolarHBondContact CB-SG 3.34Å; C101-C283 VanDerWaalsContact SG-CA 3.59Å; C101-C283 WeakPolarHBondContact SG-CB 3.41Å; C101-C283 CovalentContact SG-SG 2.04Å; C101-C283 PolarHBondContact SG-SG 2.95Å |
| 102 | P | 52.4 | Low | 56.1 | Low | 84 Ų | 84 | 100.1 Ų | 100.1 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 140.9 | 175.5 | 25.7 | -33.3 | 0 | 0 | 0 | 108.7 | G104 | P102-G104 PolarHBondContact O-N 2.86Š|
| 103 | M | 52.3 | Low | 56.7 | Low | 126 Ų | 126 | 90.5 Ų | 90.5 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 134.5 | 166.9 | -172.6 | 173.2 | 73.3 | 0 | 0 | 107.9 | C101 P152 | C101-M103 PolarHBondContact O-N 2.9Å; M103-P152 HydrophobicContact CE-CG 4.04Å; M103-P152 HydrophobicContact SD-CG 4.44Å |
| 104 | G | 56.8 | Low | 57.5 | Low | 6 Ų | 6 | 93.4 Ų | 93.4 | 6% | 0.062 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 156.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P102 G151 | P102-G104 PolarHBondContact O-N 2.86Å; G104-G151 WeakPolarHBondContact O-CA 3.4Å |
| 105 | E | 63.1 | Low | 58.3 | Low | 168 Ų | 168 | 97 Ų | 97 | 79% | 0.785 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 145.4 | 172.4 | -64.9 | -174.3 | 148.9 | 0 | 0 | 109.7 | G107 G277 | E105-G107 PolarHBondContact O-N 2.82Å; E105-G277 WeakPolarHBondContact O-CA 3.46Å |
| 106 | P | 65.6 | Low | 58.5 | Low | 94 Ų | 94 | 88.2 Ų | 88.2 | 61% | 0.61 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 141.1 | 172.5 | -25 | 34.3 | 0 | 0 | 0 | 110.3 | P152 | P106-P152 HydrophobicContact CB-CG 4.35Å; P106-P152 HydrophobicContact CG-CG 4.41Å |
| 107 | G | 59.7 | Low | 59 | Low | 11 Ų | 11 | 87.5 Ų | 87.5 | 11% | 0.113 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 153.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E105 T109 P152 G154 D275 | E105-G107 PolarHBondContact O-N 2.82Å; G107-T109 PolarHBondContact O-N 3.46Å; G107-P152 PolarHBondContact N-O 2.9Å; G107-G154 WeakPolarHBondContact O-CA 3.38Å; G107-D275 WeakPolarHBondContact CA-O 3.39Å |
| 108 | L | 70 | Confident | 59.7 | Low | 157 Ų | 157 | 87.1 Ų | 87.1 | 82% | 0.822 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 139 | 171.1 | -67.8 | 171.9 | 0 | 0 | 0 | 109 | G110 G274 | L108-G110 PolarHBondContact O-N 3.18Å; L108-G274 WeakPolarHBondContact O-CA 3.37Å |
| 109 | T | 71.2 | Confident | 60.2 | Low | 89 Ų | 89 | 77 Ų | 77 | 55% | 0.546 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 132.7 | 171.2 | -56.8 | 0 | 0 | 0 | 0 | 108.7 | G107 M155 | G107-T109 PolarHBondContact O-N 3.46Å; T109-M155 WeakPolarHBondContact CA-O 3.29Å |
| 110 | G | 62.5 | Low | 60.7 | Low | 8 Ų | 8 | 78 Ų | 78 | 8% | 0.082 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 150 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | L108 M155 G157 | L108-G110 PolarHBondContact O-N 3.18Å; G110-M155 PolarHBondContact N-O 3.31Å; G110-G157 WeakPolarHBondContact O-CA 3.32Å |
| 111 | S | 69.9 | Low | 61.3 | Low | 77 Ų | 77 | 73.9 Ų | 73.9 | 54% | 0.538 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 147.1 | 173.7 | 43.8 | 0 | 0 | 0 | 0 | 110.5 | G113 | S111-G113 PolarHBondContact O-N 3.34Š|
| 112 | P | 69 | Low | 61.7 | Low | 91 Ų | 91 | 73 Ų | 73 | 59% | 0.591 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -48.9 | 142.3 | 171.4 | -26.7 | 35.1 | 0 | 0 | 0 | 110.7 | P158 | P112-P158 HydrophobicContact CB-CG 4.13Å; P112-P158 HydrophobicContact CG-CG 4.17Å |
| 113 | G | 60.6 | Low | 61.8 | Low | 6 Ų | 6 | 77.2 Ų | 77.2 | 6% | 0.062 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 151 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | S111 D115 P158 G160 G271 | S111-G113 PolarHBondContact O-N 3.34Å; G113-D115 PolarHBondContact O-N 2.88Å; G113-P158 PolarHBondContact N-O 3.09Å; G113-G160 WeakPolarHBondContact O-CA 3.21Å; G113-G271 VanDerWaalsContact CA-CA 3.48Å |
| 114 | I | 67.5 | Low | 61.7 | Low | 133 Ų | 133 | 77.4 Ų | 77.4 | 68% | 0.682 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 137.1 | 170.4 | 52.2 | 169.5 | 0 | 0 | 0 | 109.7 | G268 S269 | I114-G268 WeakPolarHBondContact O-CA 3.35Å; I114-S269 WeakPolarHBondContact CG1-OG 3.17Å |
| 115 | D | 65.6 | Low | 61.2 | Low | 109 Ų | 109 | 80.9 Ų | 80.9 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 149.8 | 178 | -67.9 | -39.1 | 0 | 0 | 0 | 110.8 | G113 A117 E161 | G113-D115 PolarHBondContact O-N 2.88Å; D115-A117 PolarHBondContact O-N 3.43Å; D115-E161 PolarHBondContact OD1-N 2.95Å |
| 116 | G | 55.1 | Low | 60.7 | Low | 9 Ų | 9 | 79.4 Ų | 79.4 | 9% | 0.093 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 133.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E161 G163 E266 | G116-E161 PolarHBondContact N-O 2.95Å; G116-G163 VanDerWaalsContact O-CA 3.23Å; G116-G163 WeakPolarHBondContact O-CA 3.42Å; G116-E266 WeakPolarHBondContact CA-O 3.36Å |
| 117 | A | 60.3 | Low | 60.1 | Low | 70 Ų | 70 | 80.9 Ų | 80.9 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 134.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D115 G119 G265 | D115-A117 PolarHBondContact O-N 3.43Å; A117-G119 PolarHBondContact O-N 3.32Å; A117-G265 VanDerWaalsContact O-CA 3.32Å; A117-G265 WeakPolarHBondContact O-CA 3.43Å |
| 118 | P | 63.5 | Low | 59.5 | Low | 100 Ų | 100 | 84 Ų | 84 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 142.5 | 177 | -27.1 | 34.7 | 0 | 0 | 0 | 111.5 | I120 | P118-I120 PolarHBondContact O-N 3.32Š|
| 119 | G | 54.6 | Low | 58.7 | Low | 4 Ų | 4 | 83 Ų | 83 | 4% | 0.041 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 135.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A117 R164 G166 E263 | A117-G119 PolarHBondContact O-N 3.32Å; G119-R164 PolarHBondContact N-O 3.47Å; G119-G166 WeakPolarHBondContact O-CA 3.3Å; G119-E263 WeakPolarHBondContact CA-O 3.18Å |
| 120 | I | 58 | Low | 57.7 | Low | 103 Ų | 103 | 86.8 Ų | 86.8 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 129.8 | 179.7 | -50.1 | 171 | 0 | 0 | 0 | 107.4 | P118 G122 | P118-I120 PolarHBondContact O-N 3.32Å; I120-G122 PolarHBondContact O-N 3.39Å |
| 121 | P | 62.1 | Low | 57 | Low | 72 Ų | 72 | 90.3 Ų | 90.3 | 47% | 0.468 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -51 | 140.1 | 172.9 | -24.8 | 32.1 | 0 | 0 | 0 | 110.8 | K123 P167 | P121-K123 PolarHBondContact O-N 3.08Å; P121-P167 HydrophobicContact CB-CG 4.05Å; P121-P167 HydrophobicContact CG-CG 3.85Å |
| 122 | G | 55.8 | Low | 56.4 | Low | 15 Ų | 15 | 95.9 Ų | 95.9 | 16% | 0.155 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -51 | 117.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112 | I120 M124 | I120-G122 PolarHBondContact O-N 3.39Å; G122-M124 PolarHBondContact O-N 3.02Å |
| 123 | K | 54.4 | Low | 55.2 | Low | 174 Ų | 174 | 99.4 Ų | 99.4 | 76% | 0.757 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.5 | -173.9 | -68.7 | 177.7 | -178.7 | 170.7 | 0 | 110.7 | P121 | P121-K123 PolarHBondContact O-N 3.08Š|
| 124 | M | 50.4 | Low | 54.8 | Low | 129 Ų | 129 | 106.9 Ų | 106.9 | 64% | 0.635 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135.1 | 158.4 | -175.2 | 169.9 | 62.5 | 0 | 0 | 108 | G122 I126 | G122-M124 PolarHBondContact O-N 3.02Å; M124-I126 WeakPolarHBondContact O-CG1 3.28Å; M124-I126 PolarHBondContact O-N 2.97Å |
| 125 | G | 46.2 | Very low | 53.7 | Low | 79 Ų | 79 | 108.5 Ų | 108.5 | 81% | 0.814 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 126 | I | 52.9 | Low | 52.8 | Low | 137 Ų | 137 | 108 Ų | 108 | 70% | 0.703 | 66% | 0.659 | S | S | * | * | trans | -132 | 138.6 | -179.9 | -56.9 | 157.3 | 0 | 0 | 0 | 108 | M124 | M124-I126 WeakPolarHBondContact O-CG1 3.28Å; M124-I126 PolarHBondContact O-N 2.97Å | ||
| 127 | P | 53.5 | Low | 52.7 | Low | 126 Ų | 126 | 115.7 Ų | 115.7 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -60.1 | 142.8 | 176.3 | -23.4 | 34.8 | 0 | 0 | 0 | 112.9 | ||||
| 128 | G | 46.1 | Very low | 52 | Low | 75 Ų | 75 | 117.2 Ų | 117.2 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -79.9 | 162.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 129 | T | 52.8 | Low | 51.2 | Low | 137 Ų | 137 | 120 Ų | 120 | 84% | 0.84 | 71% | 0.705 | S | S | * | * | trans | -138.8 | 161.7 | 164.5 | 38.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 130 | D | 51.3 | Low | 50.4 | Low | 169 Ų | 169 | 125.4 Ų | 125.4 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | trans | -79.9 | 158.7 | -159.8 | -47.2 | -30.6 | 0 | 0 | 0 | 112.9 | ||||
| 131 | G | 48 | Very low | 49.8 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | -97.3 | 157.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | E | 57.5 | Low | 48.7 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -133.5 | 144.9 | -179.9 | -166.1 | 156 | -156.6 | 0 | 0 | 111.2 | ||||
| 133 | D | 44.1 | Very low | 48.4 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -87.2 | 152.5 | -163.7 | -65.7 | -38.8 | 0 | 0 | 0 | 114.3 | ||||
| 134 | I | 51.3 | Low | 48 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -101.2 | 132.5 | 179.3 | -58.3 | 172.4 | 0 | 0 | 0 | 110.5 | ||||
| 135 | M | 45.3 | Very low | 47.2 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | trans | -112 | 138.8 | 162.9 | -63 | -167.5 | -163.3 | 0 | 0 | 111.3 | ||||
| 136 | A | 46.3 | Very low | 47.5 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -140.1 | 132.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 137 | H | 53.2 | Low | 47.5 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -110.5 | 157 | 178.4 | -78.5 | 85.1 | 0 | 0 | 0 | 111.3 | ||||
| 138 | P | 44.6 | Very low | 47.2 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -112.1 | 146.6 | -150.5 | 2.3 | 22 | 0 | 0 | 0 | 116.8 | ||||
| 139 | I | 47 | Very low | 47.4 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 67.3 | 130.3 | 142.6 | -42.6 | 155.5 | 0 | 0 | 0 | 119.7 | ||||
| 140 | L | 36.6 | Very low | 47.5 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 61% | 0.613 | 77% | 0.765 | S | S | * | * | 122.4 | 120.1 | 128.3 | -151.5 | 68.7 | 0 | 0 | 0 | 116.5 | |||||
| 141 | Y | 46.7 | Very low | 47.7 | Very low | 240 Ų | 240 | 128 Ų | 128 | 94% | 0.941 | 72% | 0.723 | S | S | * | * | trans | -142.7 | 137.6 | 146.5 | -70.6 | -65.6 | 0 | 0 | 0 | 110.3 | ||||
| 142 | D | 39.6 | Very low | 48.3 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | -80.8 | 156.3 | -176.8 | -64.2 | -67.9 | 0 | 0 | 0 | 113.3 | ||||
| 143 | L | 48.7 | Very low | 48.5 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 93% | 0.927 | 69% | 0.685 | S | S | * | * | trans | -141.5 | 148.2 | 159.4 | -126.6 | 74 | 0 | 0 | 0 | 110.7 | ||||
| 144 | P | 45 | Very low | 49.2 | Very low | 110 Ų | 110 | 114.2 Ų | 114.2 | 71% | 0.714 | 65% | 0.646 | S | S | * | * | trans | -101.2 | 153.9 | -151.7 | 37.5 | -36.1 | 0 | 0 | 0 | 117.3 | ||||
| 145 | C | 35.2 | Very low | 50 | Low | 130 Ų | 130 | 113.8 Ų | 113.8 | 88% | 0.878 | 64% | 0.642 | S | S | * | * | trans | 37.9 | 93.1 | 143.7 | -55.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 146 | S | 50.8 | Low | 50.9 | Low | 105 Ų | 105 | 113 Ų | 113 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | trans | -106.6 | 143.7 | 160.9 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | C148 | S146-C148 PolarHBondContact O-N 2.99Š| ||
| 147 | I | 54.2 | Low | 51.4 | Low | 170 Ų | 170 | 108.3 Ų | 108.3 | 87% | 0.872 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -84.4 | -7 | -159.9 | -71.8 | 165.7 | 0 | 0 | 0 | 114.2 | ||
| 148 | C | 46.1 | Very low | 52 | Low | 47 Ų | 47 | 103.6 Ų | 103.6 | 32% | 0.318 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -130.4 | 146.7 | 171.1 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | S146 A150 | S146-C148 PolarHBondContact O-N 2.99Å; C148-A150 PolarHBondContact O-N 2.88Å |
| 149 | P | 51.4 | Low | 52.9 | Low | 104 Ų | 104 | 101.4 Ų | 101.4 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 121.8 | 169.2 | 27.9 | -32.7 | 0 | 0 | 0 | 109.3 | ||
| 150 | A | 55.5 | Low | 53.4 | Low | 47 Ų | 47 | 94.1 Ų | 94.1 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 160.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | C148 A276 | C148-A150 PolarHBondContact O-N 2.88Å; A150-A276 HydrophobicContact CB-CB 4.18Å |
| 151 | G | 53.5 | Low | 54.7 | Low | 3 Ų | 3 | 95.3 Ų | 95.3 | 3% | 0.031 | 52% | 0.524 | C | S | . | . | B | Isolated β-bridge | trans | -58 | 155.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G104 G277 | G104-G151 WeakPolarHBondContact O-CA 3.4Å; G151-G277 PolarHBondContact N-O 2.93Å |
| 152 | P | 60.9 | Low | 55.3 | Low | 50 Ų | 50 | 88.3 Ų | 88.3 | 33% | 0.325 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 146.2 | 175.6 | 27.4 | -34.1 | 0 | 0 | 0 | 109.2 | M103 P106 G107 G154 | M103-P152 HydrophobicContact CE-CG 4.04Å; M103-P152 HydrophobicContact SD-CG 4.44Å; P106-P152 HydrophobicContact CB-CG 4.35Å; P106-P152 HydrophobicContact CG-CG 4.41Å; G107-P152 PolarHBondContact N-O 2.9Å; P152-G154 PolarHBondContact O-N 3.31Å |
| 153 | P | 62 | Low | 56.1 | Low | 95 Ų | 95 | 82 Ų | 82 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 138.7 | 175.8 | -26.8 | 34.6 | 0 | 0 | 0 | 110.8 | ||
| 154 | G | 59.5 | Low | 57 | Low | 6 Ų | 6 | 83.7 Ų | 83.7 | 6% | 0.062 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 153.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G107 P152 R156 G274 D275 | G107-G154 WeakPolarHBondContact O-CA 3.38Å; P152-G154 PolarHBondContact O-N 3.31Å; G154-R156 PolarHBondContact O-N 3.46Å; G154-G274 PolarHBondContact N-O 3.47Å; G154-G274 PolarHBondContact O-N 2.98Å; G154-D275 PolarHBondContact N-O 3.48Å |
| 155 | M | 67 | Low | 57.8 | Low | 154 Ų | 154 | 82 Ų | 82 | 76% | 0.759 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 140.9 | 174.5 | -72.5 | -172.3 | 69.4 | 0 | 0 | 109.8 | T109 G110 G157 | T109-M155 WeakPolarHBondContact CA-O 3.29Å; G110-M155 PolarHBondContact N-O 3.31Å; M155-G157 PolarHBondContact O-N 2.93Å |
| 156 | R | 64.2 | Low | 58.9 | Low | 150 Ų | 150 | 76 Ų | 76 | 57% | 0.566 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -49 | 133.3 | 171.8 | 175.2 | -175.2 | -81.4 | -162.5 | 2.4 | 109.4 | G154 W270 G271 | G154-R156 PolarHBondContact O-N 3.46Å; R156-W270 HydrophobicContact CG-CB 4.4Å; R156-W270 HydrophobicContact CG-CE3 4.38Å; R156-G271 WeakPolarHBondContact CG-O 3.3Å |
| 157 | G | 58 | Low | 59.5 | Low | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 153 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G110 M155 P272 | G110-G157 WeakPolarHBondContact O-CA 3.32Å; M155-G157 PolarHBondContact O-N 2.93Å; G157-P272 PolarHBondContact N-O 3.42Å |
| 158 | P | 66.1 | Low | 59.9 | Low | 72 Ų | 72 | 72.2 Ų | 72.2 | 47% | 0.468 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 151.3 | 176.1 | 25.9 | -34.1 | 0 | 0 | 0 | 110.8 | P112 G113 G160 | P112-P158 HydrophobicContact CB-CG 4.13Å; P112-P158 HydrophobicContact CG-CG 4.17Å; G113-P158 PolarHBondContact N-O 3.09Å; P158-G160 PolarHBondContact O-N 3.48Å |
| 159 | Q | 62.5 | Low | 60.5 | Low | 56 Ų | 56 | 70.5 Ų | 70.5 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 133.1 | 172 | -179.4 | 153.9 | 45.7 | 0 | 0 | 109.5 | R267 G268 W270 | Q159-R267 HydrophobicContact CG-CG 4.21Å; Q159-R267 VanDerWaalsContact NE2-CD 3.31Å; Q159-R267 VanDerWaalsContact OE1-NH1 3.17Å; Q159-G268 VanDerWaalsContact CG-O 3.31Å; Q159-G268 WeakPolarHBondContact CG-O 3.28Å; Q159-G268 PolarHBondContact NE2-O 3.03Å; Q159-W270 HydrophobicContact CB-CD2 4.15Å; Q159-W270 HydrophobicContact CB-CE3 3.87Å; Q159-W270 HydrophobicContact CB-CH2 4.12Å; Q159-W270 HydrophobicContact CB-CZ2 4.37Å; Q159-W270 HydrophobicContact CB-CZ3 3.86Å |
| 160 | G | 56.8 | Low | 61 | Low | 5 Ų | 5 | 70.7 Ų | 70.7 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 159.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G113 P158 S269 | G113-G160 WeakPolarHBondContact O-CA 3.21Å; P158-G160 PolarHBondContact O-N 3.48Å; G160-S269 PolarHBondContact N-O 3.38Å |
| 161 | E | 65.1 | Low | 61.2 | Low | 143 Ų | 143 | 71.9 Ų | 71.9 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 149.5 | -175.5 | -66.3 | -159 | 127.5 | 0 | 0 | 111.3 | D115 G116 G163 | D115-E161 PolarHBondContact OD1-N 2.95Å; G116-E161 PolarHBondContact N-O 2.95Å; E161-G163 PolarHBondContact O-N 3.29Å |
| 162 | P | 59.4 | Low | 61.3 | Low | 92 Ų | 92 | 72.9 Ų | 72.9 | 60% | 0.597 | 40% | 0.403 | S | S | * | . | B | Isolated β-bridge | trans | -58.8 | 134.4 | 171.4 | -21.3 | 32.6 | 0 | 0 | 0 | 111.1 | R164 R267 | P162-R164 PolarHBondContact O-N 3.31Å; P162-R267 HydrophobicContact CG-CG 4.44Å |
| 163 | G | 56.9 | Low | 61.4 | Low | 6 Ų | 6 | 75.3 Ų | 75.3 | 6% | 0.062 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 135.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G116 E161 G265 E266 | G116-G163 VanDerWaalsContact O-CA 3.23Å; G116-G163 WeakPolarHBondContact O-CA 3.42Å; E161-G163 PolarHBondContact O-N 3.29Å; G163-G265 PolarHBondContact O-N 2.85Å; G163-E266 PolarHBondContact N-O 3.17Å |
| 164 | R | 66.7 | Low | 61.2 | Low | 213 Ų | 213 | 75.4 Ų | 75.4 | 80% | 0.804 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 146.9 | -179.9 | -65.7 | -175.3 | -178.7 | -170.7 | 0.8 | 111 | G119 P162 G166 | G119-R164 PolarHBondContact N-O 3.47Å; P162-R164 PolarHBondContact O-N 3.31Å; R164-G166 PolarHBondContact O-N 3.23Å |
| 165 | L | 61.1 | Low | 61 | Low | 74 Ų | 74 | 76.8 Ų | 76.8 | 39% | 0.387 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 131.9 | 175 | -174.5 | 72.5 | 0 | 0 | 0 | 111.1 | M261 G262 F264 | L165-M261 HydrophobicContact CD1-CG 4.01Å; L165-M261 HydrophobicContact CD1-SD 4.16Å; L165-M261 HydrophobicContact CD2-CE 4.37Å; L165-M261 HydrophobicContact CD2-CG 3.85Å; L165-M261 HydrophobicContact CD2-SD 3.7Å; L165-M261 HydrophobicContact CG-CG 4.24Å; L165-M261 HydrophobicContact CG-SD 4.49Å; L165-G262 VanDerWaalsContact CD1-O 3.31Å; L165-G262 WeakPolarHBondContact CD1-O 3.14Å; L165-F264 HydrophobicContact CD1-CD1 4.27Å; L165-F264 HydrophobicContact CD1-CD2 4.32Å; L165-F264 HydrophobicContact CD1-CE1 4.25Å; L165-F264 HydrophobicContact CD1-CE2 4.29Å; L165-F264 HydrophobicContact CD1-CG 4.32Å; L165-F264 HydrophobicContact CD1-CZ 4.25Å |
| 166 | G | 59.6 | Low | 60.7 | Low | 3 Ų | 3 | 78.9 Ų | 78.9 | 3% | 0.031 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 145.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G119 R164 | G119-G166 WeakPolarHBondContact O-CA 3.3Å; R164-G166 PolarHBondContact O-N 3.23Å |
| 167 | P | 63.5 | Low | 60.5 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 148.8 | 176.5 | 26.8 | -34.4 | 0 | 0 | 0 | 110.7 | P121 G169 | P121-P167 HydrophobicContact CB-CG 4.05Å; P121-P167 HydrophobicContact CG-CG 3.85Å; P167-G169 PolarHBondContact O-N 3.43Å |
| 168 | Q | 62.2 | Low | 60.1 | Low | 109 Ų | 109 | 78.2 Ų | 78.2 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 133.4 | 177.8 | 175.1 | 161.2 | 59.2 | 0 | 0 | 110.9 | S170 Q258 G259 | Q168-S170 PolarHBondContact O-N 2.94Å; Q168-Q258 VanDerWaalsContact CD-NE2 3.26Å; Q168-G259 PolarHBondContact NE2-O 2.99Å |
| 169 | G | 58.7 | Low | 59.7 | Low | 12 Ų | 12 | 84.2 Ų | 84.2 | 12% | 0.124 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 134.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P167 | P167-G169 PolarHBondContact O-N 3.43Š|
| 170 | S | 61.9 | Low | 59.6 | Low | 107 Ų | 107 | 87.5 Ų | 87.5 | 75% | 0.748 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 147 | 175.8 | 52 | 0 | 0 | 0 | 0 | 111.4 | Q168 G172 | Q168-S170 PolarHBondContact O-N 2.94Å; S170-G172 PolarHBondContact O-N 2.93Å |
| 171 | A | 59.1 | Low | 59.3 | Low | 72 Ų | 72 | 90.4 Ų | 90.4 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -56 | 135.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 172 | G | 56.5 | Low | 58.7 | Low | 25 Ų | 25 | 92.8 Ų | 92.8 | 26% | 0.258 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 148.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S170 | S170-G172 PolarHBondContact O-N 2.93Š|
| 173 | P | 62.7 | Low | 58.7 | Low | 101 Ų | 101 | 94.4 Ų | 94.4 | 66% | 0.656 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 147.5 | 178.5 | 25.5 | -34.6 | 0 | 0 | 0 | 110.9 | G175 | P173-G175 PolarHBondContact O-N 3.45Š|
| 174 | P | 58.7 | Low | 58.3 | Low | 96 Ų | 96 | 97.2 Ų | 97.2 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 141.5 | 176.6 | -26.6 | 34.6 | 0 | 0 | 0 | 112.1 | K176 | P174-K176 PolarHBondContact O-N 2.95Š|
| 175 | G | 54.5 | Low | 57.7 | Low | 35 Ų | 35 | 93.1 Ų | 93.1 | 36% | 0.361 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 132.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P173 | P173-G175 PolarHBondContact O-N 3.45Š|
| 176 | K | 59.8 | Low | 57.2 | Low | 199 Ų | 199 | 97.9 Ų | 97.9 | 87% | 0.865 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 137.9 | 176.4 | -69.7 | -178.5 | 178.8 | 178.1 | 0 | 109.6 | P174 G178 | P174-K176 PolarHBondContact O-N 2.95Å; K176-G178 PolarHBondContact O-N 2.95Å |
| 177 | P | 60.5 | Low | 56.6 | Low | 91 Ų | 91 | 101.1 Ų | 101.1 | 59% | 0.591 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 138.9 | 176 | -27.2 | 34.7 | 0 | 0 | 0 | 111.3 | K179 | P177-K179 PolarHBondContact O-N 3.3Š|
| 178 | G | 50.1 | Low | 56 | Low | 44 Ų | 44 | 106.7 Ų | 106.7 | 45% | 0.454 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 138 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K176 | K176-G178 PolarHBondContact O-N 2.95Š|
| 179 | K | 57.1 | Low | 55.3 | Low | 198 Ų | 198 | 109.9 Ų | 109.9 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.1 | 172.9 | -69 | -175.5 | 178.1 | -177 | 0 | 108.7 | P177 G181 | P177-K179 PolarHBondContact O-N 3.3Å; K179-G181 PolarHBondContact O-N 2.97Å |
| 180 | P | 60.9 | Low | 54.6 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 133.1 | 171.1 | -25.7 | 34.5 | 0 | 0 | 0 | 109.9 | E182 | P180-E182 PolarHBondContact O-N 3.17Š|
| 181 | G | 49.7 | Very low | 54 | Low | 67 Ų | 67 | 113.3 Ų | 113.3 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 133 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | K179 | K179-G181 PolarHBondContact O-N 2.97Š|
| 182 | E | 54.2 | Low | 53.4 | Low | 193 Ų | 193 | 119.6 Ų | 119.6 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143.1 | 171 | -66.9 | -176.3 | 149.3 | 0 | 0 | 109.9 | P180 G184 | P180-E182 PolarHBondContact O-N 3.17Å; E182-G184 PolarHBondContact O-N 3.34Å; E182-G184 VanDerWaalsContact O-N 3.07Å |
| 183 | S | 58.3 | Low | 53 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -63.6 | 113.5 | -178.5 | -60 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 184 | G | 48 | Very low | 52.2 | Low | 65 Ų | 65 | 121.6 Ų | 121.6 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | -62.3 | 144.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E182 | E182-G184 PolarHBondContact O-N 3.34Å; E182-G184 VanDerWaalsContact O-N 3.07Å | ||
| 185 | P | 54.6 | Low | 51.9 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -63.1 | 155.2 | 174.7 | 27.7 | -34.9 | 0 | 0 | 0 | 111.4 | G187 | P185-G187 PolarHBondContact O-N 2.93Š| ||
| 186 | I | 51.7 | Low | 51.5 | Low | 174 Ų | 174 | 125.1 Ų | 125.1 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -56.5 | 112 | -178.2 | -64.5 | 166.4 | 0 | 0 | 0 | 110.4 | ||||
| 187 | G | 45.8 | Very low | 50.9 | Low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 134.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | P185 | P185-G187 PolarHBondContact O-N 2.93Š|
| 188 | K | 50.4 | Low | 50.1 | Low | 203 Ų | 203 | 121.9 Ų | 121.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 159.6 | 174.2 | -66 | 179.1 | 179.8 | 177.6 | 0 | 111.4 | G190 | K188-G190 PolarHBondContact O-N 3.43Š|
| 189 | I | 48.7 | Very low | 49.9 | Very low | 176 Ų | 176 | 122.1 Ų | 122.1 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 127.8 | -178.2 | -66.1 | 164.1 | 0 | 0 | 0 | 111.4 | ||
| 190 | G | 44 | Very low | 49.3 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 141.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | K188 | K188-G190 PolarHBondContact O-N 3.43Š|
| 191 | S | 47.9 | Very low | 48.5 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 154.9 | 170.8 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 192 | K | 48.1 | Very low | 48.2 | Very low | 205 Ų | 205 | 114.1 Ų | 114.1 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 131.2 | 179.9 | -173.1 | 178.3 | -179.1 | -179.6 | 0 | 113.2 | ||
| 193 | G | 46.5 | Very low | 48 | Very low | 73 Ų | 73 | 110.7 Ų | 110.7 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 144.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 194 | A | 46.4 | Very low | 47.5 | Very low | 94 Ų | 94 | 110.7 Ų | 110.7 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 160.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 195 | P | 53.5 | Low | 47.4 | Very low | 133 Ų | 133 | 110.9 Ų | 110.9 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -65 | 156.9 | -179.7 | -19.7 | 32.9 | 0 | 0 | 0 | 113.9 | ||
| 196 | G | 45 | Very low | 47.2 | Very low | 73 Ų | 73 | 109 Ų | 109 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | -136.3 | 164.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 197 | K | 46.7 | Very low | 47.4 | Very low | 156 Ų | 156 | 106.6 Ų | 106.6 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | cis | -138.4 | 166.8 | -12.2 | -78.8 | -178.8 | 177.9 | 175.9 | 0 | 106.5 | M227 | K197-M227 HydrophobicContact CB-CG 3.93Å; K197-M227 HydrophobicContact CB-SD 3.46Å; K197-M227 WeakPolarHBondContact CB-SD 3.34Å; K197-M227 HydrophobicContact CD-CG 4.43Å | ||
| 198 | G | 45.5 | Very low | 47.6 | Very low | 66 Ų | 66 | 106.7 Ų | 106.7 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | -91.4 | 136.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M227 | G198-M227 WeakPolarHBondContact O-CB 3.11Å; G198-M227 WeakPolarHBondContact O-CG 3.29Å | ||
| 199 | G | 45.9 | Very low | 47.5 | Very low | 49 Ų | 49 | 104.6 Ų | 104.6 | 51% | 0.505 | 73% | 0.726 | S | S | . | * | trans | -65.1 | 174.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | M227 | G199-M227 PolarHBondContact N-SD 2.93Š| ||
| 200 | P | 44.2 | Very low | 47.1 | Very low | 82 Ų | 82 | 104.3 Ų | 104.3 | 53% | 0.532 | 73% | 0.726 | S | S | . | * | trans | -56.7 | 145.7 | 179.8 | -25.3 | 35.6 | 0 | 0 | 0 | 114.8 | P226 M227 | P200-P226 HydrophobicContact CB-CB 3.72Å; P200-P226 HydrophobicContact CG-CB 3.71Å; P200-M227 HydrophobicContact CG-CB 4.38Å | ||
| 201 | I | 42.8 | Very low | 47 | Very low | 95 Ų | 95 | 105.4 Ų | 105.4 | 49% | 0.487 | 73% | 0.729 | S | S | . | * | trans | -85.7 | 133.7 | 154.6 | -68.9 | 171.8 | 0 | 0 | 0 | 107.7 | L223 P224 | I201-L223 HydrophobicContact CG2-CB 4.3Å; I201-L223 HydrophobicContact CG2-CD2 4.31Å; I201-P224 HydrophobicContact CD1-CB 4.15Å; I201-P224 HydrophobicContact CD1-CG 3.86Å | ||
| 202 | G | 44.8 | Very low | 46.6 | Very low | 44 Ų | 44 | 111.2 Ų | 111.2 | 45% | 0.454 | 73% | 0.734 | S | S | . | * | trans | -85.5 | 178.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L223 | G202-L223 WeakPolarHBondContact O-CD1 3.48Š| ||
| 203 | P | 49.3 | Very low | 46.5 | Very low | 122 Ų | 122 | 106.1 Ų | 106.1 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | trans | -73.2 | 171 | 173.3 | 37.3 | -39 | 0 | 0 | 0 | 110.5 | ||||
| 204 | V | 47.4 | Very low | 46.1 | Very low | 125 Ų | 125 | 106.3 Ų | 106.3 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | cis | -160 | 171 | -0.1 | 111 | 0 | 0 | 0 | 0 | 108 | ||||
| 205 | G | 45.8 | Very low | 45.9 | Very low | 69 Ų | 69 | 109.4 Ų | 109.4 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | -123.5 | 136.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 206 | A | 51.6 | Low | 45.4 | Very low | 88 Ų | 88 | 106.5 Ų | 106.5 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 161.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 207 | P | 54.8 | Low | 45.3 | Very low | 123 Ų | 123 | 110 Ų | 110 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 145.5 | 173.8 | -20.6 | 33.4 | 0 | 0 | 0 | 111.9 | ||
| 208 | G | 50.8 | Low | 45.3 | Very low | 74 Ų | 74 | 112.2 Ų | 112.2 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 136.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 209 | D | 48.6 | Very low | 45.8 | Very low | 159 Ų | 159 | 111.8 Ų | 111.8 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 160.9 | -169 | -58.1 | -63 | 0 | 0 | 0 | 115 | ||
| 210 | D | 39.7 | Very low | 46.1 | Very low | 170 Ų | 170 | 115.9 Ų | 115.9 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.8 | -173 | -61.7 | -56.5 | 0 | 0 | 0 | 114.3 | ||
| 211 | A | 42.7 | Very low | 46.5 | Very low | 94 Ų | 94 | 122 Ų | 122 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -125.5 | 128.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 212 | Y | 38.4 | Very low | 46.9 | Very low | 241 Ų | 241 | 120.7 Ų | 120.7 | 95% | 0.945 | 79% | 0.793 | S | S | * | * | trans | -61.9 | 159.1 | 177 | -95.7 | -119.8 | 0 | 0 | 0 | 113 | ||||
| 213 | A | 45.6 | Very low | 47.1 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 77.9 | 125.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 214 | G | 39.7 | Very low | 47.4 | Very low | 76 Ų | 76 | 122 Ų | 122 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -71.7 | 161.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 215 | V | 41.1 | Very low | 47.4 | Very low | 159 Ų | 159 | 119 Ų | 119 | 96% | 0.964 | 78% | 0.781 | S | S | * | * | trans | 81.7 | 89.8 | -173.1 | -168.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 216 | G | 42.3 | Very low | 47.6 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -155.8 | 88.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 217 | V | 44.6 | Very low | 47.7 | Very low | 146 Ų | 146 | 120.4 Ų | 120.4 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | 42.4 | 127.5 | 149.8 | -155.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 218 | K | 45.9 | Very low | 47.1 | Very low | 203 Ų | 203 | 116.6 Ų | 116.6 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131.4 | 172.9 | -179.9 | 179.8 | -178.5 | 174.6 | 0 | 113.7 | ||
| 219 | G | 55.7 | Low | 47.1 | Very low | 57 Ų | 57 | 118.3 Ų | 118.3 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64 | 159.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 220 | P | 52.2 | Low | 47.3 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 156.2 | -172.1 | 28.3 | -35.4 | 0 | 0 | 0 | 114.1 | ||
| 221 | K | 52.4 | Low | 47.5 | Very low | 210 Ų | 210 | 115.3 Ų | 115.3 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132.9 | 179.7 | -173.4 | -179.1 | -179.7 | -177.5 | 0 | 111.1 | ||
| 222 | G | 52.2 | Low | 48.2 | Very low | 68 Ų | 68 | 117.1 Ų | 117.1 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 155.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 223 | L | 47.5 | Very low | 48.9 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 58% | 0.576 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 152.1 | -176.6 | -67.3 | 165.2 | 0 | 0 | 0 | 112.8 | I201 G202 | I201-L223 HydrophobicContact CG2-CB 4.3Å; I201-L223 HydrophobicContact CG2-CD2 4.31Å; G202-L223 WeakPolarHBondContact O-CD1 3.48Å |
| 224 | P | 57.1 | Low | 48.8 | Very low | 83 Ų | 83 | 113.1 Ų | 113.1 | 54% | 0.539 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 141.6 | 177.5 | -20.3 | 33.9 | 0 | 0 | 0 | 113.2 | I201 | I201-P224 HydrophobicContact CD1-CB 4.15Å; I201-P224 HydrophobicContact CD1-CG 3.86Å |
| 225 | G | 47.5 | Very low | 49.1 | Very low | 63 Ų | 63 | 118 Ų | 118 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 172 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 226 | P | 48.7 | Very low | 49.8 | Very low | 105 Ų | 105 | 116.7 Ų | 116.7 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 151.2 | -173.8 | 26.1 | -35.2 | 0 | 0 | 0 | 114.9 | P200 G228 | P200-P226 HydrophobicContact CB-CB 3.72Å; P200-P226 HydrophobicContact CG-CB 3.71Å; P226-G228 PolarHBondContact O-N 2.77Å |
| 227 | M | 53.2 | Low | 49.9 | Very low | 80 Ų | 80 | 117.1 Ų | 117.1 | 39% | 0.394 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 124.8 | 172.3 | -179.1 | -179.3 | 64.2 | 0 | 0 | 112.1 | K197 G198 G199 P200 | K197-M227 HydrophobicContact CB-CG 3.93Å; K197-M227 HydrophobicContact CB-SD 3.46Å; K197-M227 WeakPolarHBondContact CB-SD 3.34Å; K197-M227 HydrophobicContact CD-CG 4.43Å; G198-M227 WeakPolarHBondContact O-CB 3.11Å; G198-M227 WeakPolarHBondContact O-CG 3.29Å; G199-M227 PolarHBondContact N-SD 2.93Å; P200-M227 HydrophobicContact CG-CB 4.38Å |
| 228 | G | 43.7 | Very low | 50 | Low | 43 Ų | 43 | 121.4 Ų | 121.4 | 44% | 0.443 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 141.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P226 | P226-G228 PolarHBondContact O-N 2.77Š|
| 229 | S | 51.1 | Low | 49.9 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57 | 161.5 | -176.7 | 51 | 0 | 0 | 0 | 0 | 114.9 | G231 | S229-G231 PolarHBondContact O-N 2.7Š|
| 230 | K | 51.2 | Low | 49.5 | Very low | 209 Ų | 209 | 125.2 Ų | 125.2 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 125.1 | 177.7 | -172.6 | 177.9 | -179.2 | -179.5 | 0 | 110 | ||
| 231 | G | 45.5 | Very low | 49.3 | Very low | 56 Ų | 56 | 127.1 Ų | 127.1 | 58% | 0.577 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 156 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S229 | S229-G231 PolarHBondContact O-N 2.7Š|
| 232 | P | 57.2 | Low | 49.1 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -63 | 157.3 | 177.6 | 27.5 | -35 | 0 | 0 | 0 | 112.1 | G234 | P232-G234 PolarHBondContact O-N 3.04Š|
| 233 | Q | 51.9 | Low | 49.1 | Very low | 190 Ų | 190 | 125.2 Ų | 125.2 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 127.7 | 178.5 | -178.4 | 174.6 | -6 | 0 | 0 | 111.1 | ||
| 234 | G | 43.1 | Very low | 49.3 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 135.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P232 | P232-G234 PolarHBondContact O-N 3.04Š|
| 235 | M | 47.5 | Very low | 49.1 | Very low | 179 Ų | 179 | 131 Ų | 131 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 146.9 | 174.1 | -69.7 | 179.7 | -77.5 | 0 | 0 | 111.4 | ||
| 236 | P | 54.8 | Low | 49.2 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.2 | 174.8 | -25.6 | 35 | 0 | 0 | 0 | 113.2 | R238 | P236-R238 PolarHBondContact O-N 3.18Š|
| 237 | G | 44.8 | Very low | 49.2 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 238 | R | 47 | Very low | 49.2 | Very low | 236 Ų | 236 | 137.8 Ų | 137.8 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 133.5 | 173 | -138.2 | 176.2 | -174.5 | -174.8 | 0.7 | 109.6 | P236 S240 | P236-R238 PolarHBondContact O-N 3.18Å; R238-S240 PolarHBondContact O-N 3.06Å |
| 239 | R | 43.3 | Very low | 49.8 | Very low | 258 Ų | 258 | 143.1 Ų | 143.1 | 97% | 0.974 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58 | 125.9 | 177 | -63.9 | -180 | -103.2 | -150.8 | -3.1 | 110.2 | ||
| 240 | S | 48.5 | Very low | 49.7 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 57% | 0.566 | 78% | 0.779 | S | S | * | * | trans | -132.7 | 101.5 | -169.3 | 59.5 | 0 | 0 | 0 | 0 | 114.7 | R238 I242 | R238-S240 PolarHBondContact O-N 3.06Å; S240-I242 PolarHBondContact O-N 2.86Å; S240-I242 VanDerWaalsContact O-N 3.14Å | ||
| 241 | N | 46.5 | Very low | 49.9 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 94% | 0.941 | 77% | 0.773 | S | S | * | * | trans | -82 | 57.2 | 163.5 | -73.1 | -10 | 0 | 0 | 0 | 110.4 | ||||
| 242 | I | 49.3 | Very low | 50.2 | Low | 126 Ų | 126 | 138.4 Ų | 138.4 | 65% | 0.646 | 78% | 0.778 | S | S | * | * | trans | -115.1 | 124.9 | -170.1 | -54.6 | 176 | 0 | 0 | 0 | 108.8 | S240 G244 | S240-I242 PolarHBondContact O-N 2.86Å; S240-I242 VanDerWaalsContact O-N 3.14Å; I242-G244 PolarHBondContact O-N 3.45Å | ||
| 243 | P | 52.6 | Low | 49.9 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -51 | 140.2 | 170.8 | -26.7 | 35 | 0 | 0 | 0 | 110.9 | R245 | P243-R245 PolarHBondContact O-N 2.99Å; P243-R245 VanDerWaalsContact O-N 3.08Å |
| 244 | G | 50.6 | Low | 50.1 | Low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 120.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I242 Q246 | I242-G244 PolarHBondContact O-N 3.45Å; G244-Q246 PolarHBondContact O-N 3.45Å |
| 245 | R | 52.5 | Low | 50.7 | Low | 238 Ų | 238 | 133.7 Ų | 133.7 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 133.6 | 176.3 | -84.8 | -174.4 | 166.7 | -162 | -5 | 108.3 | P243 G247 | P243-R245 PolarHBondContact O-N 2.99Å; P243-R245 VanDerWaalsContact O-N 3.08Å; R245-G247 PolarHBondContact O-N 2.92Å |
| 246 | Q | 50.7 | Low | 51 | Low | 186 Ų | 186 | 126.6 Ų | 126.6 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | trans | -43.6 | 128.6 | 168.9 | -177.8 | 178.3 | 6.6 | 0 | 0 | 108.7 | G244 V248 | G244-Q246 PolarHBondContact O-N 3.45Å; Q246-V248 PolarHBondContact O-N 3.48Å | ||
| 247 | G | 48.9 | Very low | 51.1 | Low | 60 Ų | 60 | 130 Ų | 130 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 128.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R245 Q249 | R245-G247 PolarHBondContact O-N 2.92Å; G247-Q249 PolarHBondContact O-N 2.91Å; G247-Q249 VanDerWaalsContact O-N 3.16Å |
| 248 | V | 52.8 | Low | 51.7 | Low | 143 Ų | 143 | 132.4 Ų | 132.4 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 126.2 | -177.8 | -171.4 | 0 | 0 | 0 | 0 | 107.6 | Q246 G250 | Q246-V248 PolarHBondContact O-N 3.48Å; V248-G250 PolarHBondContact O-N 3.35Å; V248-G250 VanDerWaalsContact O-N 3.09Å |
| 249 | Q | 55.9 | Low | 52.2 | Low | 156 Ų | 156 | 122.1 Ų | 122.1 | 73% | 0.729 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 123 | 176.2 | 179.4 | 177.2 | -4.5 | 0 | 0 | 108 | G247 S251 | G247-Q249 PolarHBondContact O-N 2.91Å; G247-Q249 VanDerWaalsContact O-N 3.16Å; Q249-S251 PolarHBondContact O-N 3Å |
| 250 | G | 48.9 | Very low | 52.9 | Low | 33 Ų | 33 | 116.3 Ų | 116.3 | 34% | 0.34 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 134.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V248 I252 | V248-G250 PolarHBondContact O-N 3.35Å; V248-G250 VanDerWaalsContact O-N 3.09Å; G250-I252 PolarHBondContact O-N 3.11Å |
| 251 | S | 54.5 | Low | 53.5 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 133.3 | 179.2 | 51.4 | 0 | 0 | 0 | 0 | 110 | Q249 G253 | Q249-S251 PolarHBondContact O-N 3Å; S251-G253 PolarHBondContact O-N 3.03Å |
| 252 | I | 52.5 | Low | 54 | Low | 134 Ų | 134 | 110.6 Ų | 110.6 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 128.7 | 170.6 | -62.7 | 166.6 | 0 | 0 | 0 | 107.1 | G250 L254 | G250-I252 PolarHBondContact O-N 3.11Å; I252-L254 PolarHBondContact O-N 3.28Å |
| 253 | G | 50.4 | Low | 54.7 | Low | 24 Ų | 24 | 111.4 Ų | 111.4 | 25% | 0.247 | 63% | 0.628 | C | S | . | * | P | Polyproline II helix | trans | -55.4 | 141.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S251 | S251-G253 PolarHBondContact O-N 3.03Š|
| 254 | L | 55.9 | Low | 55.3 | Low | 158 Ų | 158 | 113.9 Ų | 113.9 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 142.3 | 174.5 | -73.8 | 162 | 0 | 0 | 0 | 109.5 | I252 G256 | I252-L254 PolarHBondContact O-N 3.28Å; L254-G256 PolarHBondContact O-N 3.07Å |
| 255 | P | 57.3 | Low | 55.4 | Low | 108 Ų | 108 | 110.7 Ų | 110.7 | 70% | 0.701 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 140.3 | 172.2 | -26.7 | 34.8 | 0 | 0 | 0 | 110.3 | F257 | P255-F257 PolarHBondContact O-N 3.48Š|
| 256 | G | 53.7 | Low | 56 | Low | 29 Ų | 29 | 107.2 Ų | 107.2 | 30% | 0.299 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -55 | 143.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L254 Q258 | L254-G256 PolarHBondContact O-N 3.07Å; G256-Q258 PolarHBondContact O-N 3.19Å |
| 257 | F | 56.2 | Low | 56.6 | Low | 201 Ų | 201 | 106.5 Ų | 106.5 | 88% | 0.882 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 141.9 | 173.4 | -67.7 | -78.3 | 0 | 0 | 0 | 109.9 | P255 G259 | P255-F257 PolarHBondContact O-N 3.48Å; F257-G259 PolarHBondContact O-N 3.44Å |
| 258 | Q | 57.8 | Low | 56.9 | Low | 134 Ų | 134 | 103.8 Ų | 103.8 | 63% | 0.626 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 134.3 | 172.9 | -173.1 | 174.9 | 5.6 | 0 | 0 | 108.7 | Q168 G256 N260 | Q168-Q258 VanDerWaalsContact CD-NE2 3.26Å; G256-Q258 PolarHBondContact O-N 3.19Å; Q258-N260 PolarHBondContact O-N 2.89Å |
| 259 | G | 56.3 | Low | 57.5 | Low | 19 Ų | 19 | 100 Ų | 100 | 20% | 0.196 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 140.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q168 F257 | Q168-G259 PolarHBondContact NE2-O 2.99Å; F257-G259 PolarHBondContact O-N 3.44Å |
| 260 | N | 59.6 | Low | 58.1 | Low | 137 Ų | 137 | 99.2 Ų | 99.2 | 73% | 0.733 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 149.9 | 172.1 | -72 | -7.5 | 0 | 0 | 0 | 109.7 | Q258 G262 | Q258-N260 PolarHBondContact O-N 2.89Å; N260-G262 PolarHBondContact O-N 3.19Å |
| 261 | M | 59.6 | Low | 58.5 | Low | 132 Ų | 132 | 97.8 Ų | 97.8 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 138.3 | 166.4 | -173.2 | 174.2 | -76.3 | 0 | 0 | 108.9 | L165 | L165-M261 HydrophobicContact CD1-CG 4.01Å; L165-M261 HydrophobicContact CD1-SD 4.16Å; L165-M261 HydrophobicContact CD2-CE 4.37Å; L165-M261 HydrophobicContact CD2-CG 3.85Å; L165-M261 HydrophobicContact CD2-SD 3.7Å; L165-M261 HydrophobicContact CG-CG 4.24Å; L165-M261 HydrophobicContact CG-SD 4.49Å |
| 262 | G | 57.5 | Low | 59.1 | Low | 5 Ų | 5 | 96 Ų | 96 | 5% | 0.052 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 156 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | L165 N260 | L165-G262 VanDerWaalsContact CD1-O 3.31Å; L165-G262 WeakPolarHBondContact CD1-O 3.14Å; N260-G262 PolarHBondContact O-N 3.19Å |
| 263 | E | 64.8 | Low | 59.8 | Low | 142 Ų | 142 | 94 Ų | 94 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 157.2 | 173 | -67.9 | 178.7 | 144 | 0 | 0 | 109.8 | G119 | G119-E263 WeakPolarHBondContact CA-O 3.18Š|
| 264 | F | 64.6 | Low | 60.5 | Low | 164 Ų | 164 | 93.1 Ų | 93.1 | 72% | 0.719 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 143.1 | 167.8 | -78.8 | -86.7 | 0 | 0 | 0 | 109.1 | L165 | L165-F264 HydrophobicContact CD1-CD1 4.27Å; L165-F264 HydrophobicContact CD1-CD2 4.32Å; L165-F264 HydrophobicContact CD1-CE1 4.25Å; L165-F264 HydrophobicContact CD1-CE2 4.29Å; L165-F264 HydrophobicContact CD1-CG 4.32Å; L165-F264 HydrophobicContact CD1-CZ 4.25Å |
| 265 | G | 53.8 | Low | 61 | Low | 12 Ų | 12 | 92.1 Ų | 92.1 | 12% | 0.124 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 148.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | A117 G163 | A117-G265 VanDerWaalsContact O-CA 3.32Å; A117-G265 WeakPolarHBondContact O-CA 3.43Å; G163-G265 PolarHBondContact O-N 2.85Å |
| 266 | E | 64.1 | Low | 61.2 | Low | 165 Ų | 165 | 90.2 Ų | 90.2 | 77% | 0.771 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 146.8 | 172.1 | -65.8 | -170.8 | 159.7 | 0 | 0 | 109.5 | G116 G163 G268 | G116-E266 WeakPolarHBondContact CA-O 3.36Å; G163-E266 PolarHBondContact N-O 3.17Å; E266-G268 PolarHBondContact O-N 2.97Å |
| 267 | R | 63.7 | Low | 61.4 | Low | 171 Ų | 171 | 89 Ų | 89 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | B | Isolated β-bridge | trans | -69.6 | 132.9 | 177.1 | -162.1 | -169.8 | -66.5 | 176.1 | 0.7 | 108.4 | Q159 P162 | Q159-R267 HydrophobicContact CG-CG 4.21Å; Q159-R267 VanDerWaalsContact NE2-CD 3.31Å; Q159-R267 VanDerWaalsContact OE1-NH1 3.17Å; P162-R267 HydrophobicContact CG-CG 4.44Å |
| 268 | G | 55.6 | Low | 61.4 | Low | 3 Ų | 3 | 87.3 Ų | 87.3 | 3% | 0.031 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -48.6 | 148.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I114 Q159 E266 | I114-G268 WeakPolarHBondContact O-CA 3.35Å; Q159-G268 VanDerWaalsContact CG-O 3.31Å; Q159-G268 WeakPolarHBondContact CG-O 3.28Å; Q159-G268 PolarHBondContact NE2-O 3.03Å; E266-G268 PolarHBondContact O-N 2.97Å |
| 269 | S | 64.5 | Low | 61.4 | Low | 64 Ų | 64 | 84.5 Ų | 84.5 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 159.8 | 176.9 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | I114 G160 | I114-S269 WeakPolarHBondContact CG1-OG 3.17Å; G160-S269 PolarHBondContact N-O 3.38Å |
| 270 | W | 68.5 | Low | 61.3 | Low | 138 Ų | 138 | 85.3 Ų | 85.3 | 52% | 0.523 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -62 | 144.9 | 165.3 | -71 | 95.6 | 0 | 0 | 0 | 110 | R156 Q159 | R156-W270 HydrophobicContact CG-CB 4.4Å; R156-W270 HydrophobicContact CG-CE3 4.38Å; Q159-W270 HydrophobicContact CB-CD2 4.15Å; Q159-W270 HydrophobicContact CB-CE3 3.87Å; Q159-W270 HydrophobicContact CB-CH2 4.12Å; Q159-W270 HydrophobicContact CB-CZ2 4.37Å; Q159-W270 HydrophobicContact CB-CZ3 3.86Å |
| 271 | G | 58 | Low | 61.1 | Low | 4 Ų | 4 | 88.5 Ų | 88.5 | 4% | 0.041 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 159.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G113 R156 | G113-G271 VanDerWaalsContact CA-CA 3.48Å; R156-G271 WeakPolarHBondContact CG-O 3.3Å |
| 272 | P | 67 | Low | 60.6 | Low | 72 Ų | 72 | 90.4 Ų | 90.4 | 47% | 0.468 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 160.3 | 171.9 | 27.1 | -34.2 | 0 | 0 | 0 | 110.9 | G157 | G157-P272 PolarHBondContact N-O 3.42Š|
| 273 | P | 66.1 | Low | 60.3 | Low | 92 Ų | 92 | 91.9 Ų | 91.9 | 60% | 0.597 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 143.7 | 161.2 | -20.8 | 33.3 | 0 | 0 | 0 | 109.8 | ||
| 274 | G | 64.7 | Low | 59.7 | Low | 6 Ų | 6 | 87.6 Ų | 87.6 | 6% | 0.062 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 150.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L108 G154 | L108-G274 WeakPolarHBondContact O-CA 3.37Å; G154-G274 PolarHBondContact N-O 3.47Å; G154-G274 PolarHBondContact O-N 2.98Å |
| 275 | D | 67.8 | Low | 58.9 | Low | 136 Ų | 136 | 82.3 Ų | 82.3 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 155.6 | 176.5 | -69.4 | -44.1 | 0 | 0 | 0 | 111.2 | G107 G154 G277 | G107-D275 WeakPolarHBondContact CA-O 3.39Å; G154-D275 PolarHBondContact N-O 3.48Å; D275-G277 PolarHBondContact O-N 3.41Å |
| 276 | A | 61.9 | Low | 58.5 | Low | 69 Ų | 69 | 89.6 Ų | 89.6 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 135.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A150 | A150-A276 HydrophobicContact CB-CB 4.18Š|
| 277 | G | 56 | Low | 57.8 | Low | 4 Ų | 4 | 85.8 Ų | 85.8 | 4% | 0.041 | 47% | 0.468 | C | S | . | . | B | Isolated β-bridge | trans | -59.4 | 139.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E105 G151 D275 | E105-G277 WeakPolarHBondContact O-CA 3.46Å; G151-G277 PolarHBondContact N-O 2.93Å; D275-G277 PolarHBondContact O-N 3.41Å |
| 278 | M | 57 | Low | 57.2 | Low | 164 Ų | 164 | 81 Ų | 81 | 81% | 0.808 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 139.4 | -178.6 | -68.2 | -173.2 | -178.4 | 0 | 0 | 110.8 | A280 | M278-A280 PolarHBondContact O-N 3.43Š|
| 279 | P | 57.3 | Low | 56.9 | Low | 76 Ų | 76 | 84.8 Ų | 84.8 | 49% | 0.494 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 141.1 | 173.2 | 27.6 | -34.3 | 0 | 0 | 0 | 109.2 | M281 | P279-M281 PolarHBondContact O-N 2.78Å; P279-M281 VanDerWaalsContact O-N 3.1Å |
| 280 | A | 55.1 | Low | 56.1 | Low | 36 Ų | 36 | 87.6 Ų | 87.6 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 120.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | M278 Y282 | M278-A280 PolarHBondContact O-N 3.43Å; A280-Y282 PolarHBondContact O-N 2.96Å |
| 281 | M | 54.2 | Low | 55.4 | Low | 204 Ų | 204 | 89.1 Ų | 89.1 | 100% | 1.005 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -59.9 | -13.3 | -179.4 | -93.2 | -147 | -70.7 | 0 | 0 | 113.9 | P279 | P279-M281 PolarHBondContact O-N 2.78Å; P279-M281 VanDerWaalsContact O-N 3.1Å |
| 282 | Y | 50.4 | Low | 55.1 | Low | 172 Ų | 172 | 96.3 Ų | 96.3 | 68% | 0.675 | 56% | 0.561 | S | S | * | * | trans | -136.4 | 105.7 | -177.8 | -172.4 | -101.1 | 0 | 0 | 0 | 110.5 | A280 P284 | A280-Y282 PolarHBondContact O-N 2.96Å; Y282-P284 HydrophobicContact CE1-CB 3.92Å | ||
| 283 | C | 51.3 | Low | 54.4 | Low | 36 Ų | 36 | 98.6 Ų | 98.6 | 24% | 0.243 | 57% | 0.573 | C | S | . | * | trans | -83.5 | 124.5 | 157.2 | -91.1 | 0 | 0 | 0 | 0 | 108.1 | L99 C101 S285 | L99-C283 HydrophobicContact CD2-CB 4.41Å; C101-C283 HydrophobicContact CB-CB 4.23Å; C101-C283 WeakPolarHBondContact CB-SG 3.34Å; C101-C283 VanDerWaalsContact SG-CA 3.59Å; C101-C283 WeakPolarHBondContact SG-CB 3.41Å; C101-C283 CovalentContact SG-SG 2.04Å; C101-C283 PolarHBondContact SG-SG 2.95Å; C283-S285 PolarHBondContact O-N 2.86Å | ||
| 284 | P | 51.2 | Low | 53.7 | Low | 52 Ų | 52 | 97.6 Ų | 97.6 | 34% | 0.338 | 57% | 0.572 | S | S | . | * | trans | -71.7 | 78 | 171.4 | 29.5 | -33.2 | 0 | 0 | 0 | 109.8 | Y282 D286 | Y282-P284 HydrophobicContact CE1-CB 3.92Å; P284-D286 PolarHBondContact O-N 3Å | ||
| 285 | S | 49.1 | Very low | 52.8 | Low | 52 Ų | 52 | 109.1 Ų | 109.1 | 36% | 0.364 | 61% | 0.614 | S | S | . | * | trans | -86.4 | 81.5 | 175.9 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | C283 C287 | C283-S285 PolarHBondContact O-N 2.86Å; S285-C287 PolarHBondContact O-N 3.01Å | ||
| 286 | D | 45.5 | Very low | 51.6 | Low | 165 Ų | 165 | 111.8 Ų | 111.8 | 88% | 0.882 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 6.2 | 172.6 | -75 | -22.6 | 0 | 0 | 0 | 113.7 | P284 G288 | P284-D286 PolarHBondContact O-N 3Å; D286-G288 VanDerWaalsContact C-N 3.29Å; D286-G288 PolarHBondContact O-N 2.84Å |
| 287 | C | 49.4 | Very low | 50.8 | Low | 85 Ų | 85 | 114 Ų | 114 | 57% | 0.574 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 12.8 | 174.9 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | S285 V289 | S285-C287 PolarHBondContact O-N 3.01Å; C287-V289 VanDerWaalsContact C-N 3.3Å; C287-V289 PolarHBondContact O-N 3.18Å |
| 288 | G | 49.5 | Very low | 50.2 | Low | 70 Ų | 70 | 119.9 Ų | 119.9 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | trans | 73 | 9.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | D286 S290 | D286-G288 VanDerWaalsContact C-N 3.29Å; D286-G288 PolarHBondContact O-N 2.84Å; G288-S290 PolarHBondContact O-N 3.47Å | ||
| 289 | V | 49.7 | Very low | 49.6 | Very low | 83 Ų | 83 | 117.4 Ų | 117.4 | 50% | 0.503 | 67% | 0.667 | S | S | . | * | trans | -95.9 | 90.3 | 177.5 | -174 | 0 | 0 | 0 | 0 | 109.7 | C287 K291 I292 | C287-V289 VanDerWaalsContact C-N 3.3Å; C287-V289 PolarHBondContact O-N 3.18Å; V289-K291 PolarHBondContact O-N 3.15Å; V289-K291 VanDerWaalsContact O-N 3.17Å; V289-I292 HydrophobicContact CG1-CG1 4.05Å | ||
| 290 | S | 49.1 | Very low | 48.9 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 68% | 0.684 | S | S | * | * | trans | -74 | 1 | -174.3 | 53.8 | 0 | 0 | 0 | 0 | 115.7 | G288 | G288-S290 PolarHBondContact O-N 3.47Š| ||
| 291 | K | 52.1 | Low | 48.2 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | trans | -156.9 | 116.7 | 173.9 | -104.4 | 174.1 | -177.6 | 175.6 | 0 | 111 | V289 V293 | V289-K291 PolarHBondContact O-N 3.15Å; V289-K291 VanDerWaalsContact O-N 3.17Å; K291-V293 HydrophobicContact CB-CG2 4.38Å | ||
| 292 | I | 53.4 | Low | 47.8 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 80% | 0.795 | 70% | 0.697 | S | S | * | * | trans | -103.4 | 100.5 | 160.9 | -57.2 | 177.8 | 0 | 0 | 0 | 107 | V289 A294 | V289-I292 HydrophobicContact CG1-CG1 4.05Å; I292-A294 PolarHBondContact O-N 3.21Å | ||
| 293 | V | 50.5 | Low | 47.5 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | trans | -86.4 | 95.8 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | K291 R295 | K291-V293 HydrophobicContact CB-CG2 4.38Å; V293-R295 PolarHBondContact O-N 3.06Å | ||
| 294 | A | 52.1 | Low | 47.1 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 60% | 0.595 | 72% | 0.722 | S | S | * | * | trans | -68 | 122.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | I292 F296 | I292-A294 PolarHBondContact O-N 3.21Å; A294-F296 PolarHBondContact O-N 3.13Å | ||
| 295 | R | 47.1 | Very low | 46.8 | Very low | 247 Ų | 247 | 129.9 Ų | 129.9 | 93% | 0.932 | 74% | 0.738 | S | S | * | * | trans | -77.2 | 104.3 | 170.9 | -74.6 | -176.6 | 177.5 | 167.7 | -1 | 109.2 | V293 | V293-R295 PolarHBondContact O-N 3.06Š| ||
| 296 | F | 42.4 | Very low | 46.5 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -72.2 | 128 | 164.3 | -87.7 | -93.3 | 0 | 0 | 0 | 110.3 | A294 | A294-F296 PolarHBondContact O-N 3.13Š| ||
| 297 | S | 44.9 | Very low | 46.5 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -161.6 | 152.6 | 156.3 | -87.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 298 | P | 42.7 | Very low | 46.4 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -119.9 | 143.6 | -137 | 37.2 | -24.9 | 0 | 0 | 0 | 114.9 | ||||
| 299 | S | 45.7 | Very low | 46.3 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -173.8 | 133 | 171.3 | 57.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 300 | M | 42 | Very low | 46.1 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 84% | 0.837 | 78% | 0.78 | S | S | * | * | cis | -136.3 | 144.3 | 0 | -55 | -177.1 | 98.7 | 0 | 0 | 106 | ||||
| 301 | D | 39.1 | Very low | 45.9 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | 42.6 | 93.6 | 77.9 | -83.8 | -13.6 | 0 | 0 | 0 | 113.1 | |||||
| 302 | F | 46.9 | Very low | 45.6 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | 167.6 | 101.2 | 116.7 | -102.7 | -99.4 | 0 | 0 | 0 | 105.2 | |||||
| 303 | S | 44.1 | Very low | 45.1 | Very low | 89 Ų | 89 | 144 Ų | 144 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | 100.4 | 140.8 | 78.4 | 69.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 304 | D | 43.7 | Very low | 44.7 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | 37.3 | 98.3 | 122.1 | -152.3 | 38.8 | 0 | 0 | 0 | 114 | |||||
| 305 | S | 44.3 | Very low | 44.2 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | 172.8 | 177.1 | 53.2 | 61.3 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 306 | S | 41.7 | Very low | 44 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | cis | -157.6 | 159.9 | 16.7 | -164 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 307 | S | 46.6 | Very low | 44.1 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 55% | 0.552 | 78% | 0.777 | S | S | * | * | trans | 77.3 | 135.8 | 153 | -61.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 308 | R | 47.5 | Very low | 44 | Very low | 307 Ų | 307 | 141.5 Ų | 141.5 | 100% | 1.158 | 77% | 0.774 | S | S | * | * | cis | -160.3 | 0 | 0.4 | -118.4 | 161.2 | -145.3 | -168.1 | -0.8 | 110.2 |
Retrieved 308 of 308 residues in 120.7 ms
(Link to these results)